data_2agh_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 2agh _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 296' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 111.609 0.225 . . . . 10.0 111.609 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.45 -52.5 64.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.663 1.185 . . . . 10.0 112.135 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 8.3 tt -58.98 -46.9 86.98 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.106 0.962 . . . . 10.0 112.323 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.12 -41.75 99.4 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.455 0.702 . . . . 10.0 111.715 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 58.6 tp -71.01 -39.0 72.65 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.889 1.276 . . . . 10.0 113.232 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.69 -40.74 60.63 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.132 1.373 . . . . 10.0 113.679 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.81 -56.5 4.62 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.322 0.649 . . . . 10.0 111.298 174.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.79 -20.17 66.23 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 95.9 p -70.71 -20.38 62.66 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.096 1.147 . . . . 10.0 114.096 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.6 m -58.32 -41.93 85.64 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.789 1.177 . . . . 10.0 113.249 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.547 0.856 0 O-C-N 121.045 -1.034 . . . . 10.0 112.977 177.033 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.618 -0.593 . . . . 10.0 111.618 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -124.46 -12.34 7.27 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.373 1.469 . . . . 10.0 114.279 -171.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -61.5 -34.16 75.02 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.121 1.369 . . . . 10.0 111.721 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.12 -18.51 61.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.153 1.781 . . . . 10.0 115.102 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -83.65 -19.78 34.78 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.267 0.939 . . . . 10.0 113.369 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 18.0 t -77.08 155.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 10.0 110.647 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 48.0 p -128.81 158.11 39.61 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.994 1.317 . . . . 10.0 110.834 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.04 -38.19 82.01 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.752 -0.592 . . . . 10.0 111.546 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.73 -43.8 97.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.851 0.86 . . . . 10.0 112.149 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.28 -48.72 78.63 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 122.956 0.502 . . . . 10.0 110.408 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.14 -51.66 61.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.54 1.136 . . . . 10.0 112.56 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 72.2 m -58.69 -53.33 59.63 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.248 1.019 . . . . 10.0 112.463 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -69.6 -34.76 74.57 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.853 -0.594 . . . . 10.0 112.403 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.79 -41.76 87.08 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.443 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.85 -47.03 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 120.385 1.448 . . . . 10.0 110.72 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -51.47 66.32 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.895 0.878 . . . . 10.0 112.047 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -71.38 -25.29 62.3 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.741 0.816 . . . . 10.0 112.364 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.5 -53.78 54.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.036 0.934 . . . . 10.0 108.503 168.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 57.7 t -54.97 -44.55 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.572 1.149 . . . . 10.0 112.723 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -57.65 -32.65 67.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.773 1.027 . . . . 10.0 113.773 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -96.47 -27.81 14.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.085 0.772 . . . . 10.0 113.085 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.83 -47.27 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.325 0.65 . . . . 10.0 110.302 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -146.98 102.19 3.86 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 123.473 0.709 . . . . 10.0 109.923 169.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.9 -7.03 3.01 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 124.937 3.758 . . . . 10.0 117.168 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 82.4 p 58.19 151.99 0.08 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 129.446 3.099 . . . . 10.0 116.498 -170.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.74 -34.89 8.36 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.02 2.48 . . . . 10.0 112.491 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -155.52 158.29 31.82 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 128.151 2.581 . . . . 10.0 109.058 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -68.78 -19.93 40.43 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.594 2.196 . . . . 10.0 113.579 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.53 74.17 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.342 -0.848 . . . . 10.0 113.036 169.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.7 64.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.222 -0.924 . . . . 10.0 113.251 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.25 -26.85 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.102 0.961 . . . . 10.0 112.541 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -94.89 -17.21 22.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.295 1.438 . . . . 10.0 113.406 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -64.21 143.8 57.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.201 1.0 . . . . 10.0 112.865 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -27.6 44.09 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.664 1.727 . . . . 10.0 115.664 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -71.08 -27.37 63.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.524 1.056 . . . . 10.0 112.715 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -64.97 -24.31 67.48 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.381 0.672 . . . . 10.0 112.502 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.657 -1.277 . . . . 10.0 113.338 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.5 -43.92 75.82 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.498 -0.751 . . . . 10.0 111.375 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -47.55 85.54 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.884 1.674 . . . . 10.0 110.961 174.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -59.49 -47.04 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.461 1.904 . . . . 10.0 112.527 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.66 91.93 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.151 -0.968 . . . . 10.0 112.14 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.3 -47.52 83.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.226 1.01 . . . . 10.0 111.732 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.56 95.44 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.543 -0.723 . . . . 10.0 112.452 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.01 -44.76 96.94 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.082 0.855 . . . . 10.0 112.424 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.77 -45.37 90.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.284 1.034 . . . . 10.0 112.23 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.8 -49.2 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.168 0.987 . . . . 10.0 110.665 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -55.11 -46.26 75.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.26 0.937 . . . . 10.0 112.113 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.65 -35.54 91.22 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.71 0.672 . . . . 10.0 114.092 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.86 -37.32 67.42 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.473 1.137 . . . . 10.0 111.849 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 17.4 mmt -72.12 -35.22 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.691 1.196 . . . . 10.0 111.421 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.79 -50.98 70.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.372 1.469 . . . . 10.0 111.67 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.89 -25.5 67.2 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.412 -0.805 . . . . 10.0 113.015 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -80.08 2.69 22.97 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.99 54.28 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -7.91 57.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.818 1.247 . . . . 10.0 113.612 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 64.4 p -147.16 161.19 41.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.723 1.609 . . . . 10.0 112.209 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 27.1 ttp-105 -62.32 -38.17 88.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.987 0.915 . . . . 10.0 112.529 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.41 -44.81 95.56 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 10.0 112.355 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.43 -38.4 87.34 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.573 -0.704 . . . . 10.0 112.136 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -58.0 -55.23 37.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.428 1.091 . . . . 10.0 111.829 173.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -53.2 -45.23 68.49 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.734 1.013 . . . . 10.0 113.734 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -59.15 -45.4 91.07 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.133 0.573 . . . . 10.0 111.825 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.91 -42.96 89.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.823 0.849 . . . . 10.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 64.4 mt -55.54 -55.86 27.02 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.173 0.897 . . . . 10.0 110.801 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.73 -32.57 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.968 0.907 . . . . 10.0 113.296 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.72 -43.91 78.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.005 1.275 . . . . 10.0 112.305 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -37.78 82.17 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.261 -0.899 . . . . 10.0 111.691 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.49 -46.84 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.661 1.185 . . . . 10.0 112.044 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.26 -51.11 69.34 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.891 1.276 . . . . 10.0 111.154 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -54.58 -59.0 5.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.585 0.754 . . . . 10.0 111.815 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.66 -45.91 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.239 0.615 . . . . 10.0 111.142 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -68.58 -57.58 5.53 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -13.95 58.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.06 1.504 . . . . 10.0 115.06 -169.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -72.22 -55.65 6.86 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.06 0.846 . . . . 10.0 109.74 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.99 -34.55 78.25 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.695 -0.628 . . . . 10.0 112.521 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.99 -19.5 44.06 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.397 1.258 . . . . 10.0 114.397 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -116.0 -28.48 6.62 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.655 -1.278 . . . . 10.0 113.958 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.64 -24.73 58.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.266 -0.896 . . . . 10.0 113.319 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 114.944 1.461 . . . . 10.0 114.944 -171.574 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 63.9 tp -125.45 89.27 52.81 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.249 1.82 . . . . 10.0 109.585 -169.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.2 142.62 20.97 Favored 'Trans proline' 0 C--N 1.353 0.803 1 C-N-CA 125.953 4.436 . . . . 10.0 114.094 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 51.8 p -51.99 -40.96 61.77 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.559 1.689 . . . . 10.0 115.559 -170.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.49 -42.8 95.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.727 0.694 . . . . 10.0 112.659 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.6 mp -76.18 -38.79 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.593 0.757 . . . . 10.0 110.284 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 19.6 ttt -51.97 -56.35 14.77 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.509 1.124 . . . . 10.0 110.961 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -41.01 60.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.558 1.143 . . . . 10.0 113.543 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.06 -44.62 91.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.796 0.838 . . . . 10.0 112.628 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.48 -38.9 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.986 0.812 . . . . 10.0 111.45 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -39.01 90.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.127 -0.983 . . . . 10.0 112.598 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.46 -43.0 77.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.228 1.011 . . . . 10.0 112.586 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.2 -38.41 31.26 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.194 1.553 . . . . 10.0 115.194 -171.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 118.195 2.665 . . . . 10.0 118.195 -169.773 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 48.0 tptt . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.84 -49.44 76.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.55 1.14 . . . . 10.0 112.592 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.88 -42.46 99.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.775 1.23 . . . . 10.0 111.724 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.22 -43.84 90.19 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.91 0.884 . . . . 10.0 111.869 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 68.7 tp -72.15 -26.72 62.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.102 1.761 . . . . 10.0 113.853 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.85 -42.82 48.33 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.492 1.117 . . . . 10.0 112.929 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.98 -54.29 28.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.293 1.037 . . . . 10.0 111.798 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 52.9 mtt -61.23 -29.48 69.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.751 1.22 . . . . 10.0 113.7 -171.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.5 t -65.26 -19.98 66.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.241 1.416 . . . . 10.0 114.293 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.3 m -56.71 -41.6 77.7 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.185 0.994 . . . . 10.0 113.157 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 113.634 0.975 . . . . 10.0 113.634 178.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.363 0 N-CA-C 115.815 1.086 . . . . 10.0 115.815 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -139.86 -9.34 1.19 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -66.37 -17.39 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.152 -0.968 . . . . 10.0 113.285 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.45 -20.25 29.24 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -107.59 -4.59 18.18 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.4 t -74.39 149.09 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.701 1.2 . . . . 10.0 110.657 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 14.8 t -143.3 156.5 44.73 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.029 1.332 . . . . 10.0 111.017 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -58.84 -40.26 83.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.678 0.791 . . . . 10.0 112.484 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.43 -37.23 74.97 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.654 0.782 . . . . 10.0 113.1 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.31 -55.66 19.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.348 0.659 . . . . 10.0 110.395 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -53.71 -45.77 70.53 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.133 0.973 . . . . 10.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.7 m -57.21 -53.67 55.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.726 1.21 . . . . 10.0 112.846 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.9 -39.65 87.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.009 -0.432 . . . . 10.0 112.156 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.4 -45.1 94.67 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.69 0.677 . . . . 10.0 111.753 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 44.5 t -57.12 -49.51 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 118.808 0.731 . . . . 10.0 111.151 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -40.55 82.59 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.163 0.892 . . . . 10.0 112.662 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -75.33 -39.18 59.72 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.019 0.928 . . . . 10.0 112.513 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -45.57 89.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 10.0 110.689 169.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.93 -50.44 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.281 1.432 . . . . 10.0 112.963 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.31 -38.74 92.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.353 0.979 . . . . 10.0 112.903 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.19 94.66 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 122.149 -0.344 . . . . 10.0 111.926 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.79 -46.47 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.108 0.963 . . . . 10.0 111.839 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -147.17 112.02 4.08 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.518 0.727 . . . . 10.0 110.311 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -59.41 -6.06 3.76 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.314 3.343 . . . . 10.0 116.868 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.67 151.42 0.14 Allowed Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 127.89 2.476 . . . . 10.0 113.299 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -85.01 -37.39 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.245 2.63 . . . . 10.0 112.635 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -157.74 154.96 26.04 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.919 2.887 . . . . 10.0 108.841 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.72 -17.89 42.3 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.771 2.314 . . . . 10.0 113.568 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.16 -27.96 69.07 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.37 95.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.81 0.844 . . . . 10.0 111.712 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.1 -20.37 17.03 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.557 1.943 . . . . 10.0 114.438 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -118.46 19.63 13.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 10.0 113.535 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -132.37 163.78 27.94 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.003 1.321 . . . . 10.0 112.782 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . 0.41 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 8.4 mpt_? -53.02 -36.01 60.06 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.279 1.832 . . . . 10.0 112.927 -171.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -53.13 -42.56 66.18 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.591 1.556 . . . . 10.0 113.302 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.8 tpt -94.17 -26.85 16.5 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.283 0.633 . . . . 10.0 112.262 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -53.45 -36.24 61.38 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.346 0.976 . . . . 10.0 112.421 169.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.76 -44.37 96.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.413 -0.805 . . . . 10.0 112.641 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.24 -48.55 75.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.17 1.388 . . . . 10.0 110.888 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.35 -43.7 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 126.288 1.835 . . . . 10.0 112.161 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.54 85.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.492 1.117 . . . . 10.0 112.084 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.72 -46.57 81.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.216 1.006 . . . . 10.0 111.895 170.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.7 76.49 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.433 -0.794 . . . . 10.0 111.408 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.77 -46.36 90.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.603 1.092 . . . . 10.0 113.331 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.61 -47.68 81.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.204 1.402 . . . . 10.0 111.675 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.6 t -79.79 -35.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.772 -0.632 . . . . 10.0 111.79 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.29 -40.71 71.39 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.416 1.462 . . . . 10.0 111.414 172.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.26 -34.23 88.94 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.161 0.886 . . . . 10.0 114.212 171.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.28 -39.33 74.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.83 1.315 . . . . 10.0 111.692 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.3 mmt -66.59 -43.42 84.95 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.542 1.137 . . . . 10.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -59.58 -50.11 75.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.498 1.519 . . . . 10.0 112.866 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.02 -24.76 66.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.245 -0.909 . . . . 10.0 113.126 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.2 m -82.28 -34.34 28.75 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.967 1.099 . . . . 10.0 113.967 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.91 122.37 19.84 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.203 1.186 . . . . 10.0 114.203 -170.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -17.79 64.29 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.646 0.98 . . . . 10.0 113.646 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 86.1 p -149.04 163.39 37.66 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.256 1.422 . . . . 10.0 113.008 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -53.39 -46.71 69.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.89 1.676 . . . . 10.0 112.717 173.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.8 -32.02 67.18 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.11 -39.59 78.84 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.365 0.984 . . . . 10.0 111.719 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.84 -54.68 44.14 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.752 0.821 . . . . 10.0 111.478 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.61 -44.68 77.25 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 114.008 1.114 . . . . 10.0 114.008 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.63 -43.05 89.59 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.149 0.886 . . . . 10.0 111.824 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.75 -45.09 91.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.321 1.049 . . . . 10.0 112.648 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.883 0.765 . . . . 10.0 112.254 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.54 74.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.816 0.846 . . . . 10.0 112.16 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.27 -40.96 97.05 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.423 -0.798 . . . . 10.0 111.351 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -45.97 91.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.196 0.907 . . . . 10.0 112.0 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.82 -56.95 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.413 1.006 . . . . 10.0 110.088 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -56.34 -45.19 80.52 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.017 0.927 . . . . 10.0 112.04 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.14 -45.26 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.872 1.214 . . . . 10.0 109.905 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -62.12 -50.36 72.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.337 0.655 . . . . 10.0 111.85 -171.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -71.68 -30.49 65.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.164 1.386 . . . . 10.0 113.715 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -71.21 -54.4 11.1 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.403 0.547 . . . . 10.0 111.575 170.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.09 -33.31 75.73 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.081 -1.012 . . . . 10.0 113.077 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -63.51 -3.74 2.34 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.535 1.68 . . . . 10.0 115.535 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.64 -32.9 2.82 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.652 1.114 . . . . 10.0 113.403 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.17 -26.63 64.0 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 125.478 1.511 . . . . 10.0 114.321 -170.744 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 112.35 0.5 . . . . 10.0 112.35 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 52.4 tp -124.01 85.03 54.62 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.686 1.994 . . . . 10.0 108.097 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.75 141.09 16.51 Favored 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 125.673 4.249 . . . . 10.0 113.663 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.4 p -54.21 -35.84 62.82 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 -170.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.59 -43.56 76.2 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.122 0.874 . . . . 10.0 112.934 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.76 -38.28 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.216 0.607 . . . . 10.0 110.097 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 18.4 ttt -53.64 -55.65 24.06 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.793 0.837 . . . . 10.0 110.47 174.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.24 -37.65 72.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.125 0.97 . . . . 10.0 113.3 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.68 -50.99 71.29 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.488 0.585 . . . . 10.0 112.038 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 15.7 t -63.18 -41.24 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.98 0.809 . . . . 10.0 111.219 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.55 -26.51 67.16 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.421 0.897 . . . . 10.0 113.421 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -78.4 -37.13 44.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.656 1.182 . . . . 10.0 113.375 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -80.17 -39.2 29.77 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.145 1.165 . . . . 10.0 114.145 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 117.677 2.473 . . . . 10.0 117.677 -169.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.5 tptt . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 119.088 -0.482 . . . . 10.0 111.979 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -57.73 -47.45 82.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.236 1.015 . . . . 10.0 112.728 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.34 -44.81 96.56 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 10.0 111.93 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -66.42 -46.1 77.67 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.592 0.757 . . . . 10.0 111.689 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.45 -21.08 59.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.379 1.471 . . . . 10.0 113.447 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.98 -32.3 53.55 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.302 0.955 . . . . 10.0 113.406 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.54 -52.35 16.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.65 0.78 . . . . 10.0 110.75 169.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' MET . . . . . 0.41 ' HA ' ' CE1' ' B' ' 650' ' ' TYR . 61.0 mtt -61.08 -24.19 66.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.21 1.804 . . . . 10.0 114.58 -171.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 92.6 p -59.97 -27.57 66.94 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 12.7 m -56.68 -42.2 78.62 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.148 0.979 . . . . 10.0 113.516 -171.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.154 0 N-CA-C 114.543 0.577 . . . . 10.0 114.543 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -66.4 -16.08 63.8 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -57.67 -27.81 63.2 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.892 1.277 . . . . 10.0 113.579 -171.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -20.86 64.41 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -80.65 3.21 22.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.196 0.999 . . . . 10.0 113.508 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.25 144.49 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.921 1.688 . . . . 10.0 110.197 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 61.2 p -131.4 164.42 25.74 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.075 1.75 . . . . 10.0 110.697 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -36.41 79.08 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.484 -0.76 . . . . 10.0 112.243 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.52 -43.9 95.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.707 0.803 . . . . 10.0 111.773 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.31 -48.78 76.62 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.719 0.407 . . . . 10.0 110.907 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.09 -47.69 71.49 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.707 1.203 . . . . 10.0 112.696 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.9 m -56.55 -51.79 67.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.395 1.078 . . . . 10.0 111.698 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -72.1 -40.59 68.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.15 -49.51 75.55 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.487 1.039 . . . . 10.0 111.859 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.65 -45.1 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.277 0.944 . . . . 10.0 110.638 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.1 -50.72 72.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.699 0.681 . . . . 10.0 112.603 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.808 0.843 . . . . 10.0 112.989 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.98 -50.69 72.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.553 1.141 . . . . 10.0 110.324 170.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.55 -43.13 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.158 0.983 . . . . 10.0 113.013 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -62.83 -40.0 96.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.251 0.932 . . . . 10.0 112.981 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.2 92.59 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.737 -0.602 . . . . 10.0 111.716 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 77.3 mt -61.47 -44.96 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.606 1.162 . . . . 10.0 111.415 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -144.72 112.02 4.93 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.455 0.702 . . . . 10.0 110.383 169.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -57.02 -10.12 5.35 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.602 3.535 . . . . 10.0 117.506 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.6 148.79 0.12 Allowed Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 127.764 2.425 . . . . 10.0 113.67 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -85.57 -35.97 0.14 Allowed 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.636 2.891 . . . . 10.0 112.969 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -158.89 155.65 25.09 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 128.858 2.863 . . . . 10.0 108.773 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.39 -17.5 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.799 2.333 . . . . 10.0 113.648 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.21 71.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.709 0.804 . . . . 10.0 113.039 169.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.28 -35.22 80.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.312 -0.868 . . . . 10.0 112.201 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.36 -8.17 8.21 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.156 1.383 . . . . 10.0 113.81 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -119.1 15.04 13.21 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.019 2.128 . . . . 10.0 112.185 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -116.31 142.31 47.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.786 1.635 . . . . 10.0 111.561 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -20.84 59.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -177.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -67.23 -41.08 86.3 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.497 1.044 . . . . 10.0 111.827 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.6 tpt -74.62 -31.07 61.87 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.817 0.847 . . . . 10.0 112.006 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.04 -31.54 63.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.153 -0.967 . . . . 10.0 113.581 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.02 -44.25 94.72 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.369 -0.832 . . . . 10.0 111.914 171.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.24 -42.99 78.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.066 0.946 . . . . 10.0 111.446 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.25 -43.33 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.393 1.077 . . . . 10.0 111.865 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.27 68.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.702 1.201 . . . . 10.0 112.963 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . 0.402 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.34 -42.34 95.48 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.073 0.851 . . . . 10.0 111.322 172.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.13 86.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.398 -0.81 . . . . 10.0 111.388 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.49 -43.34 89.0 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.618 1.099 . . . . 10.0 112.754 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.35 -49.4 77.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.556 1.142 . . . . 10.0 111.953 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.78 -38.46 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 122.959 0.504 . . . . 10.0 111.874 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.18 -42.05 72.7 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.701 1.137 . . . . 10.0 111.477 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.28 -31.54 80.85 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.378 0.989 . . . . 10.0 114.12 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.5 -37.13 60.36 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.822 1.311 . . . . 10.0 111.757 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 26.3 mmt -65.33 -41.54 93.87 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.269 1.027 . . . . 10.0 110.958 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.61 -44.69 95.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.471 1.509 . . . . 10.0 112.933 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.0 -29.78 70.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.259 -0.901 . . . . 10.0 112.574 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.7 t -76.66 -40.1 50.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.993 0.917 . . . . 10.0 113.183 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -67.83 136.95 54.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -79.25 -14.72 58.86 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.054 1.741 . . . . 10.0 113.338 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 59.7 p -152.98 164.19 38.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.613 1.565 . . . . 10.0 111.774 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -58.81 -41.7 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.459 0.703 . . . . 10.0 112.248 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -71.44 -32.47 68.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.899 0.48 . . . . 10.0 111.992 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.28 -39.51 82.09 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.453 -0.779 . . . . 10.0 111.824 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.48 -52.09 66.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.772 0.829 . . . . 10.0 111.336 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' A' ' 303' ' ' MET . 0.9 OUTLIER -51.97 -48.75 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 170.345 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -62.08 -40.05 94.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.15 0.58 . . . . 10.0 112.27 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.07 -41.91 90.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.488 1.115 . . . . 10.0 112.686 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.56 -48.17 81.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.768 0.713 . . . . 10.0 111.424 171.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.05 -30.06 66.13 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.26 -43.65 94.17 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.178 -0.952 . . . . 10.0 111.498 170.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -58.23 -38.97 77.88 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 10.0 112.23 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 18.8 mm -66.71 -45.31 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.797 -0.565 . . . . 10.0 112.447 174.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.0 -48.79 80.24 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.125 0.875 . . . . 10.0 111.721 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -54.38 11.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.299 2.239 . . . . 10.0 112.045 173.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.58 -51.55 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.339 0.655 . . . . 10.0 111.085 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.51 -47.79 80.25 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.922 -0.486 . . . . 10.0 112.309 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.2 mmpt? -71.14 -32.3 68.79 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.49 0.716 . . . . 10.0 112.88 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.36 -48.64 64.25 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.493 0.317 . . . . 10.0 111.611 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.11 -32.88 74.8 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.934 -1.104 . . . . 10.0 112.875 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -62.61 -6.81 3.82 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -108.23 -49.71 3.15 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.817 1.647 . . . . 10.0 110.984 169.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -67.36 -14.17 62.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.608 1.336 . . . . 10.0 114.608 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? . . . . . 0 N--CA 1.484 1.262 0 C-N-CA 126.685 1.994 . . . . 10.0 112.94 175.31 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 47.1 mt . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 113.424 0.898 . . . . 10.0 113.424 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.4 tp -128.22 77.85 76.31 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.173 1.789 . . . . 10.0 109.294 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . 0.402 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 41.8 Cg_exo -41.62 134.94 3.4 Favored 'Trans proline' 0 C--N 1.352 0.722 1 C-N-CA 126.202 4.601 . . . . 10.0 114.013 177.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.5 m -55.04 -37.07 66.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.319 1.599 . . . . 10.0 115.319 -169.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.56 -37.66 82.99 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.704 0.684 . . . . 10.0 112.768 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.95 -43.05 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.883 0.873 . . . . 10.0 110.654 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 61.7 ttp -54.46 -51.8 63.86 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.447 0.699 . . . . 10.0 110.509 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -55.07 -38.71 68.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.394 1.478 . . . . 10.0 113.668 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -64.75 -52.54 56.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.098 0.959 . . . . 10.0 111.721 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.46 -39.99 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.436 -0.79 . . . . 10.0 111.621 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.93 -34.52 78.31 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.331 -0.856 . . . . 10.0 112.908 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -80.04 -31.91 39.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.9 1.074 . . . . 10.0 113.9 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -73.82 -41.06 62.86 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 116.797 2.147 . . . . 10.0 116.797 -171.44 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 111.741 0.274 . . . . 10.0 111.741 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -52.42 -48.2 65.89 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.88 1.672 . . . . 10.0 112.329 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.9 tp -77.47 -37.98 50.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.515 0.726 . . . . 10.0 112.715 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.71 -40.96 92.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.457 -0.777 . . . . 10.0 112.04 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.92 -34.49 74.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.528 1.531 . . . . 10.0 113.175 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.2 mt -58.62 -36.14 73.58 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.598 0.759 . . . . 10.0 112.799 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.59 -53.44 7.19 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.644 0.656 . . . . 10.0 110.219 168.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 38.0 ttm -55.13 -29.46 57.76 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.558 1.143 . . . . 10.0 114.063 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -58.31 -25.09 61.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.467 1.284 . . . . 10.0 114.467 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.4 m -59.59 -39.15 83.2 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.585 1.084 . . . . 10.0 113.605 -172.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 113.38 0.882 . . . . 10.0 113.38 177.463 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.28 0 N-CA-C 115.372 0.909 . . . . 10.0 115.372 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.2 p-90 -61.43 -19.78 62.35 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -60.63 -24.84 65.84 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.856 1.262 . . . . 10.0 112.68 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.74 -5.32 39.96 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.956 1.302 . . . . 10.0 113.572 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -114.68 20.15 15.48 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.928 2.091 . . . . 10.0 112.214 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.46 134.51 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.508 1.923 . . . . 10.0 109.357 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 80.5 p -100.29 159.11 15.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.448 1.099 . . . . 10.0 111.4 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.53 -35.84 76.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.403 -0.81 . . . . 10.0 111.532 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.49 -37.62 88.0 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.652 -0.655 . . . . 10.0 112.414 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 40.1 tp -63.46 -46.89 84.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.91 -0.567 . . . . 10.0 111.336 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -55.81 -50.63 69.98 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.044 0.838 . . . . 10.0 111.789 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.5 m -56.82 -53.56 56.41 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.018 0.927 . . . . 10.0 112.728 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.86 -38.62 86.69 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.958 -0.544 . . . . 10.0 111.896 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.23 -44.39 95.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.441 -1.266 . . . . 10.0 112.07 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.9 -49.03 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 120.576 1.535 . . . . 10.0 110.747 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -41.78 69.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.602 0.761 . . . . 10.0 112.829 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -82.62 -30.91 29.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.829 0.851 . . . . 10.0 113.018 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 3.6 tp -58.72 -47.92 82.94 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.386 1.074 . . . . 10.0 108.42 169.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 54.7 t -54.8 -45.65 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 10.0 112.264 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -62.37 -39.62 93.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.974 1.261 . . . . 10.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.0 -29.23 62.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 53.4 mt -68.28 -55.06 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.598 -0.689 . . . . 10.0 109.834 170.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -150.14 118.49 3.64 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.482 1.113 . . . . 10.0 110.823 172.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -61.04 -8.42 9.87 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.892 3.062 . . . . 10.0 117.127 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.0 148.72 0.12 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 127.522 2.329 . . . . 10.0 113.472 -172.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -87.47 -37.23 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.466 2.777 . . . . 10.0 112.928 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -160.17 158.07 25.67 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 128.821 2.848 . . . . 10.0 108.976 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.61 -22.87 37.37 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.603 2.202 . . . . 10.0 113.137 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -63.2 -21.66 66.36 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 171.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.28 -50.4 22.41 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.407 -0.808 . . . . 10.0 111.775 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.83 -16.02 64.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.67 -6.01 52.4 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.378 1.871 . . . . 10.0 113.509 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -123.17 153.33 40.18 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.848 1.259 . . . . 10.0 113.538 -171.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -55.55 -31.82 62.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.254 1.422 . . . . 10.0 113.33 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -51.58 -47.25 63.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.587 1.155 . . . . 10.0 112.671 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.6 tpt -81.78 -30.6 32.23 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.675 0.79 . . . . 10.0 112.245 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -55.37 -32.16 62.35 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 113.566 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -56.89 -47.28 80.85 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.864 0.866 . . . . 10.0 112.023 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.94 -40.34 75.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.343 1.457 . . . . 10.0 111.767 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.74 -44.41 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.06 1.344 . . . . 10.0 111.924 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.381 1.072 . . . . 10.0 112.155 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 -45.9 84.57 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.475 1.11 . . . . 10.0 111.548 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.24 99.49 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.742 0.817 . . . . 10.0 112.4 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -44.02 96.54 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.899 0.772 . . . . 10.0 112.312 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.92 -44.3 93.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.914 0.886 . . . . 10.0 112.173 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.4 -51.14 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.758 0.823 . . . . 10.0 110.692 172.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.04 -46.56 71.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.95 0.795 . . . . 10.0 112.213 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.05 90.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.907 0.765 . . . . 10.0 114.108 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.33 -34.91 65.91 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.79 1.295 . . . . 10.0 111.818 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 31.8 mmt -71.71 -39.18 70.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.097 0.959 . . . . 10.0 110.989 174.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -62.41 -48.18 80.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.241 1.417 . . . . 10.0 112.673 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.0 -27.7 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.816 -1.178 . . . . 10.0 113.117 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -79.84 -32.51 40.57 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.045 1.128 . . . . 10.0 114.045 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.33 24.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.781 1.401 . . . . 10.0 114.781 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -116.28 -5.73 11.82 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.741 2.016 . . . . 10.0 112.448 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.3 p -152.54 163.49 39.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.996 1.718 . . . . 10.0 111.579 169.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.22 -41.69 96.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.575 0.75 . . . . 10.0 112.988 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.05 -33.5 75.64 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.25 -39.48 71.61 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.259 -0.901 . . . . 10.0 111.641 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.71 -52.7 64.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.649 1.18 . . . . 10.0 111.738 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -49.86 -47.99 51.43 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -61.39 -41.71 97.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.947 0.794 . . . . 10.0 112.314 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.73 -44.83 88.92 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.956 0.903 . . . . 10.0 112.685 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 61.8 mt -55.8 -54.3 46.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.295 0.952 . . . . 10.0 110.832 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.45 -29.46 69.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.884 0.874 . . . . 10.0 112.511 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.79 -46.91 83.06 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.055 1.298 . . . . 10.0 111.757 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -66.0 -41.1 91.49 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.748 -0.595 . . . . 10.0 110.782 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 15.4 mm -57.86 -40.81 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 123.671 0.788 . . . . 10.0 111.591 169.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.36 -47.31 76.86 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 119.459 1.027 . . . . 10.0 111.397 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -52.0 -59.4 4.4 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.36 0.982 . . . . 10.0 110.485 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 67.0 mt -55.52 -55.38 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.424 0.689 . . . . 10.0 111.416 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -65.62 -51.23 61.16 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.351 -0.843 . . . . 10.0 112.622 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -39.0 80.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.449 1.1 . . . . 10.0 112.289 -171.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.61 -52.87 59.03 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.549 1.14 . . . . 10.0 111.42 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.7 mp -55.31 -42.14 73.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.451 0.7 . . . . 10.0 112.694 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.66 -15.88 9.02 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.85 1.426 . . . . 10.0 114.85 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -119.45 -34.94 3.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.859 1.059 . . . . 10.0 113.859 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -73.36 -8.04 54.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-N 119.854 1.206 . . . . 10.0 113.425 169.207 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 27.2 mm . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 118.129 -0.939 . . . . 10.0 113.062 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.5 tp -129.84 83.84 62.76 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.446 1.498 . . . . 10.0 110.139 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.63 143.56 16.07 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 125.247 3.965 . . . . 10.0 113.364 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 45.0 p -58.03 -32.29 67.82 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.61 -45.38 68.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.484 0.713 . . . . 10.0 112.643 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.42 -37.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.081 0.552 . . . . 10.0 109.623 173.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 21.4 ttt -57.38 -55.51 33.81 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.329 -0.857 . . . . 10.0 111.374 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.47 -31.82 70.81 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.4 -57.52 9.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.298 0.639 . . . . 10.0 110.634 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.16 -34.63 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.113 -0.992 . . . . 10.0 113.375 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.37 -40.49 97.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.578 1.536 . . . . 10.0 111.361 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -79.96 -36.66 35.81 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.01 1.724 . . . . 10.0 114.96 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.24 -50.87 64.17 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 114.746 1.388 . . . . 10.0 114.746 -169.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 119.011 -0.519 . . . . 10.0 111.842 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.98 -46.81 78.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.851 1.26 . . . . 10.0 112.809 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.02 -43.53 98.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 10.0 111.929 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.16 -45.0 74.71 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.319 0.58 . . . . 10.0 111.558 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.22 -23.39 62.0 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.584 1.953 . . . . 10.0 113.1 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.23 -41.58 75.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.509 1.124 . . . . 10.0 112.524 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.32 -50.76 62.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.147 0.43 . . . . 10.0 111.118 169.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 65.3 mtt -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.834 0.854 . . . . 10.0 113.253 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 50.6 m -63.8 -20.17 65.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.172 1.789 . . . . 10.0 114.475 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 63.0 m -58.25 -25.14 61.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.547 1.539 . . . . 10.0 114.834 -171.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 177.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.244 0 N-CA-C 115.487 0.955 . . . . 10.0 115.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -66.31 -9.96 38.04 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.54 -25.51 64.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.079 1.352 . . . . 10.0 113.32 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.54 -20.84 49.74 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -86.41 2.96 45.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.687 1.195 . . . . 10.0 113.548 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.85 158.19 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.932 1.693 . . . . 10.0 111.121 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 5.4 t -139.31 158.99 43.2 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.339 1.856 . . . . 10.0 110.36 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -56.61 -31.25 64.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.952 0.901 . . . . 10.0 112.522 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.13 -40.35 95.63 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.857 0.863 . . . . 10.0 112.651 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.7 -51.09 62.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.346 1.059 . . . . 10.0 110.962 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -60.76 -40.26 91.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.806 0.842 . . . . 10.0 112.881 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.6 m -55.74 -49.46 73.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.062 0.945 . . . . 10.0 112.044 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.15 -36.2 71.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.614 0.766 . . . . 10.0 112.308 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.17 -44.88 95.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.439 -0.791 . . . . 10.0 112.307 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.11 -49.61 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.402 1.001 . . . . 10.0 110.388 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -45.72 73.18 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.271 0.628 . . . . 10.0 112.477 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.0 -40.83 52.86 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.386 1.474 . . . . 10.0 113.181 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.79 -47.72 76.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.674 1.59 . . . . 10.0 109.023 169.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.24 -38.78 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 117.938 -1.029 . . . . 10.0 113.65 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -60.31 -39.54 87.36 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.721 1.6 . . . . 10.0 112.898 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.92 72.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.687 -0.633 . . . . 10.0 112.707 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.6 mt -65.71 -43.66 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.322 1.049 . . . . 10.0 111.201 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -146.67 109.35 4.12 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.73 0.812 . . . . 10.0 111.003 170.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -60.39 -8.37 8.56 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.391 3.394 . . . . 10.0 117.307 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 43.1 p 66.2 152.6 0.12 Allowed Pre-proline 0 N--CA 1.486 1.331 0 C-N-CA 128.935 2.894 . . . . 10.0 115.567 -174.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.85 -28.21 3.44 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.833 2.355 . . . . 10.0 112.097 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -159.88 159.52 27.34 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 126.772 2.029 . . . . 10.0 110.872 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.31 -7.39 19.64 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.656 2.238 . . . . 10.0 115.02 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -90.16 -26.31 20.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.89 1.223 . . . . 10.0 112.211 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.82 64.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.612 1.096 . . . . 10.0 112.734 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 51.5 mt -54.91 -32.69 61.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.11 1.364 . . . . 10.0 113.98 171.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -87.12 -12.17 47.89 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.943 1.297 . . . . 10.0 113.833 -170.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -102.94 159.91 15.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.638 0.977 . . . . 10.0 113.638 -173.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.61 54.14 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.218 1.807 . . . . 10.0 113.245 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -52.47 -30.9 32.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.945 1.298 . . . . 10.0 113.856 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.4 tpt -96.2 -35.69 11.2 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.616 1.166 . . . . 10.0 112.16 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -56.54 -29.29 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.255 -0.903 . . . . 10.0 113.087 173.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -57.78 -43.34 85.48 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.226 -0.921 . . . . 10.0 113.108 171.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.52 -45.94 61.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.686 1.194 . . . . 10.0 111.017 174.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.77 -41.18 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.104 0.962 . . . . 10.0 112.265 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.47 96.01 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.788 1.235 . . . . 10.0 112.772 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.68 -41.84 91.98 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.574 -0.704 . . . . 10.0 111.094 172.145 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.88 86.88 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.132 -0.98 . . . . 10.0 113.147 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -61.9 -45.87 91.84 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.37 0.987 . . . . 10.0 111.933 171.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.84 -44.79 93.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.353 1.061 . . . . 10.0 112.11 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.24 -47.69 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.697 0.799 . . . . 10.0 111.337 174.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -52.22 -52.11 54.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.648 1.113 . . . . 10.0 111.629 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.89 -12.39 42.26 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.488 1.042 . . . . 10.0 115.428 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.98 -36.83 7.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 10.0 111.944 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.6 mmt -64.1 -39.2 93.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.851 . . . . 10.0 110.939 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.4 -24.07 66.25 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.401 1.88 . . . . 10.0 113.588 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -104.16 10.04 35.99 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.432 1.493 . . . . 10.0 113.137 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.1 m -118.4 11.68 13.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.083 1.353 . . . . 10.0 113.441 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.47 143.32 50.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.892 1.277 . . . . 10.0 113.147 -171.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -10.07 57.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.748 1.219 . . . . 10.0 113.62 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 76.8 p -151.91 163.55 39.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.119 1.368 . . . . 10.0 112.249 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -59.6 -39.78 85.3 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.134 0.974 . . . . 10.0 112.259 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.73 -42.11 99.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.467 1.107 . . . . 10.0 112.631 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.07 -37.15 78.34 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.322 -0.861 . . . . 10.0 112.251 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.26 -50.43 73.63 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.25 -0.907 . . . . 10.0 111.895 171.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -53.13 -47.79 68.41 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.38 -41.21 88.81 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.758 0.708 . . . . 10.0 112.223 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.25 -40.2 90.02 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.002 -0.999 . . . . 10.0 112.94 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.2 -48.99 79.55 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.569 1.077 . . . . 10.0 110.518 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.33 -29.25 69.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.165 1.386 . . . . 10.0 113.005 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.4 -42.4 87.9 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.482 1.113 . . . . 10.0 112.586 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -38.8 87.04 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.295 0.952 . . . . 10.0 111.168 174.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.9 mm -54.92 -52.39 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.249 1.02 . . . . 10.0 111.257 170.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -59.8 -45.89 90.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.718 0.807 . . . . 10.0 112.408 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -52.62 -57.28 10.53 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.909 0.777 . . . . 10.0 110.677 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 78.5 mt -56.79 -47.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.33 0.652 . . . . 10.0 111.063 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -60.98 -50.96 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . 0.469 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.7 mmpt? -71.98 -31.05 65.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.493 1.117 . . . . 10.0 113.305 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.15 -33.89 63.67 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.638 0.775 . . . . 10.0 112.931 175.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.7 mp -89.61 -44.62 9.94 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.27 -44.69 75.87 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.107 1.322 . . . . 10.0 113.519 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.57 -42.09 92.16 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.53 -0.731 . . . . 10.0 112.571 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -78.08 -7.88 57.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.803 1.241 . . . . 10.0 113.642 -177.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? . . . . . 0 N--CA 1.481 1.102 0 C-N-CA 126.704 2.002 . . . . 10.0 113.335 176.663 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 28.5 mm . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 28.4 tp -150.88 72.93 8.75 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.035 1.734 . . . . 10.0 108.197 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . 0.44 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 32.2 Cg_exo -40.7 124.8 1.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 1 C-N-CA 125.746 4.297 . . . . 10.0 113.928 175.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.2 m -57.92 -37.31 73.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.76 -36.11 79.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.689 0.796 . . . . 10.0 112.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.21 -43.69 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.767 0.827 . . . . 10.0 109.61 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 65.0 ttp -53.35 -49.91 66.13 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.63 1.172 . . . . 10.0 111.395 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.84 -39.63 65.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.444 0.698 . . . . 10.0 112.691 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.57 -44.19 78.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.75 0.82 . . . . 10.0 112.193 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.0 t -58.59 -46.85 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.726 1.148 . . . . 10.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.28 -39.65 94.35 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.858 0.754 . . . . 10.0 112.356 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.42 -34.2 63.17 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.362 0.875 . . . . 10.0 113.362 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -79.83 -48.71 13.09 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 117.978 2.584 . . . . 10.0 117.978 -169.711 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.58 -50.51 67.83 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.561 1.144 . . . . 10.0 112.09 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.1 tp -61.11 -43.33 99.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.466 1.106 . . . . 10.0 112.087 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.17 -46.31 87.76 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.128 0.571 . . . . 10.0 111.198 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 43.0 tp -72.74 -28.6 62.73 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.833 1.653 . . . . 10.0 113.914 -176.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.54 -44.88 69.56 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.432 1.093 . . . . 10.0 112.54 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.16 -52.07 60.79 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.517 0.599 . . . . 10.0 111.899 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.3 mtm -58.57 -24.28 60.48 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.949 1.092 . . . . 10.0 113.949 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 35.3 m -76.38 -19.93 57.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.026 1.33 . . . . 10.0 114.558 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.9 m -53.82 -37.97 64.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.334 1.605 . . . . 10.0 115.334 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 CA--C 1.547 0.836 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 178.666 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.279 0 N-CA-C 114.781 0.673 . . . . 10.0 114.781 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -62.2 -14.0 33.35 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.583 1.697 . . . . 10.0 115.583 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -57.59 -27.7 62.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.34 . . . . 10.0 113.641 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.45 -18.09 36.58 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -77.19 -1.2 28.23 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.694 1.198 . . . . 10.0 114.009 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.42 153.89 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.061 1.744 . . . . 10.0 110.6 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 76.9 p -127.45 158.74 36.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.951 1.701 . . . . 10.0 111.177 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -58.29 -31.89 67.9 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.571 -0.706 . . . . 10.0 112.555 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -63.33 -44.48 94.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.826 0.85 . . . . 10.0 112.051 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.33 -45.33 84.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.875 -0.583 . . . . 10.0 111.408 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -54.8 -47.6 73.8 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.215 0.916 . . . . 10.0 111.962 174.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 63.8 m -59.17 -49.43 77.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.577 1.151 . . . . 10.0 112.271 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -66.07 -44.03 85.67 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.443 0.697 . . . . 10.0 111.502 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.86 -38.51 91.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 117.787 -1.101 . . . . 10.0 112.982 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 21.6 t -54.71 -50.96 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.153 1.342 . . . . 10.0 111.133 170.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -64.88 -41.83 95.3 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.927 -0.483 . . . . 10.0 112.219 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.33 -33.94 77.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 10.0 112.87 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.4 tp -57.26 -54.74 43.36 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.483 1.113 . . . . 10.0 109.25 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.41 -45.18 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.957 1.303 . . . . 10.0 112.887 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -64.27 -33.87 76.81 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.63 70.41 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.749 0.704 . . . . 10.0 111.129 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 62.1 mt -58.91 -46.71 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.305 1.042 . . . . 10.0 110.863 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.43 100.91 5.65 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.093 0.957 . . . . 10.0 110.446 171.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -62.84 95.64 0.16 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.177 3.252 . . . . 10.0 109.971 168.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.5 t -50.51 142.64 15.13 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.848 1.659 . . . . 10.0 113.785 -170.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -62.07 -42.02 32.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.401 2.734 . . . . 10.0 111.37 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -155.19 162.44 27.25 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.059 2.144 . . . . 10.0 109.989 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.65 -21.71 51.6 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.404 2.07 . . . . 10.0 111.837 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.77 -16.0 62.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.357 1.463 . . . . 10.0 114.65 170.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -92.57 -22.92 19.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.033 0.933 . . . . 10.0 112.886 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.29 -28.76 68.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.501 1.12 . . . . 10.0 113.47 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.83 -4.86 56.18 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.712 1.375 . . . . 10.0 114.712 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.96 132.86 48.79 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.478 1.035 . . . . 10.0 110.509 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.98 -35.89 26.1 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -69.6 -36.95 76.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.558 1.143 . . . . 10.0 112.22 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.5 tpt -70.28 -37.34 74.84 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.947 0.499 . . . . 10.0 111.32 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.27 -34.95 77.55 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.175 -0.953 . . . . 10.0 113.168 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.47 -39.25 85.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.272 -0.892 . . . . 10.0 111.894 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 17.9 tp -61.45 -49.02 78.52 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.29 0.95 . . . . 10.0 111.16 170.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.5 t -51.53 -43.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.096 1.358 . . . . 10.0 112.442 173.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.17 73.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.46 1.104 . . . . 10.0 113.051 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -42.74 99.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.556 -0.715 . . . . 10.0 111.27 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.63 82.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.974 0.91 . . . . 10.0 111.721 172.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.05 -48.16 80.95 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 119.856 1.207 . . . . 10.0 112.852 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.92 -45.87 92.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.057 0.943 . . . . 10.0 112.128 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.97 -33.02 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.763 -0.636 . . . . 10.0 112.097 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -44.22 76.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.388 1.449 . . . . 10.0 111.42 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.81 -26.93 73.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 123.938 0.78 . . . . 10.0 114.429 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.77 -36.27 28.68 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.722 1.261 . . . . 10.0 111.86 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.24 -37.65 87.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.573 1.149 . . . . 10.0 111.04 172.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -62.52 -49.76 74.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.201 1.401 . . . . 10.0 112.611 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.45 -22.11 64.6 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.766 -1.208 . . . . 10.0 114.154 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.5 m -76.09 -24.42 55.02 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.02 156.22 19.84 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.109 1.151 . . . . 10.0 114.109 -170.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -117.47 -3.62 11.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.069 2.148 . . . . 10.0 112.041 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 62.3 p -152.46 162.76 40.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.91 1.684 . . . . 10.0 111.876 170.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -59.81 -40.95 90.11 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.484 0.714 . . . . 10.0 112.383 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.307 1.043 . . . . 10.0 112.149 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.94 -39.35 83.46 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.601 -0.687 . . . . 10.0 112.315 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.02 -54.22 49.37 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 10.0 111.832 173.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -51.86 -47.38 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.62 -38.62 91.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.826 0.739 . . . . 10.0 112.419 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.71 -43.41 89.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.528 1.131 . . . . 10.0 112.4 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 53.2 mt -59.13 -48.88 79.97 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.747 0.703 . . . . 10.0 111.436 170.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.13 75.09 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.917 0.887 . . . . 10.0 112.796 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.08 -44.54 84.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.178 0.991 . . . . 10.0 111.96 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -59.82 -44.01 94.25 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.129 0.877 . . . . 10.0 111.616 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 4.5 mm -60.67 -45.24 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.037 0.935 . . . . 10.0 111.451 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.75 -52.86 62.51 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.546 1.138 . . . . 10.0 111.753 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -50.4 9.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.185 2.194 . . . . 10.0 112.363 172.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.37 -54.94 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.898 0.879 . . . . 10.0 110.512 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.63 -52.73 55.91 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.82 -22.1 62.38 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.887 1.221 . . . . 10.0 113.545 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -76.73 -44.47 33.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.088 0.555 . . . . 10.0 111.79 171.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.6 mp -56.58 -41.73 77.47 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.705 0.802 . . . . 10.0 111.579 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.99 5.36 0.51 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.384 1.474 . . . . 10.0 114.766 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.99 -44.86 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.8 1.24 . . . . 10.0 112.238 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -61.48 -29.14 69.79 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.802 1.183 . . . . 10.0 114.18 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 . . . . . 0 N--CA 1.485 1.32 0 C-N-CA 124.868 1.267 . . . . 10.0 114.073 173.016 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 41.4 tp -151.4 80.04 6.49 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.093 1.757 . . . . 10.0 108.657 169.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -43.21 134.59 6.15 Favored 'Trans proline' 0 C--N 1.353 0.768 1 C-N-CA 125.901 4.4 . . . . 10.0 113.601 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -59.35 -38.58 80.73 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -172.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.44 -39.68 85.4 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.503 -0.748 . . . . 10.0 112.289 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -69.39 -41.15 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 123.884 0.874 . . . . 10.0 110.696 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 47.7 ttm -53.2 -55.59 23.12 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.931 0.892 . . . . 10.0 110.322 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.96 -42.21 79.71 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.85 -47.67 85.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.994 0.918 . . . . 10.0 112.552 173.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.07 -41.79 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 10.0 111.881 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.5 -33.14 75.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.355 0.979 . . . . 10.0 112.206 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.78 -42.26 50.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.174 0.99 . . . . 10.0 112.83 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -78.88 -52.41 8.34 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.081 1.141 . . . . 10.0 114.081 -174.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 117.862 2.542 . . . . 10.0 117.862 -169.161 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 111.679 0.252 . . . . 10.0 111.679 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.9 -48.26 78.61 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.467 1.507 . . . . 10.0 112.506 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.55 -36.59 63.11 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.532 0.733 . . . . 10.0 112.328 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.73 -41.55 92.09 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.434 -0.791 . . . . 10.0 112.375 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.42 -31.48 72.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.312 1.445 . . . . 10.0 113.142 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 45.7 mt -57.29 -38.41 73.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.738 0.815 . . . . 10.0 112.597 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 39.6 mt -75.39 -53.81 8.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.973 0.806 . . . . 10.0 111.03 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 49.7 ttm -53.65 -35.28 60.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.865 1.266 . . . . 10.0 113.913 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 65.3 m -57.27 -24.57 55.74 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 17.8 m -56.74 -39.37 73.84 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.023 0.829 . . . . 10.0 112.815 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.64 0 O-C-N 121.401 -0.812 . . . . 10.0 112.917 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.286 0 N-CA-C 115.72 1.048 . . . . 10.0 115.72 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -64.19 -20.5 66.06 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.872 1.434 . . . . 10.0 114.872 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -62.97 -28.11 69.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.088 0.955 . . . . 10.0 111.987 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -73.32 -1.03 16.37 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.745 1.618 . . . . 10.0 113.323 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -118.22 20.07 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.836 2.054 . . . . 10.0 112.021 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.78 130.89 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.418 1.887 . . . . 10.0 109.856 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -94.03 158.17 15.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.481 1.112 . . . . 10.0 111.651 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.05 -32.01 70.51 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.503 -0.748 . . . . 10.0 111.777 170.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -43.85 97.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.192 0.997 . . . . 10.0 112.246 174.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -47.93 83.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.165 0.586 . . . . 10.0 111.226 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -56.2 -50.62 70.71 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.633 0.773 . . . . 10.0 112.074 174.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.2 m -59.55 -49.68 76.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.608 1.163 . . . . 10.0 112.255 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.11 -41.88 85.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.72 -0.657 . . . . 10.0 111.329 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.52 -37.97 89.34 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.73 1.15 . . . . 10.0 112.734 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 37.9 t -56.64 -51.23 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.182 1.355 . . . . 10.0 110.666 169.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -36.75 73.15 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.09 -33.23 57.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.232 1.413 . . . . 10.0 112.123 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.51 -48.45 81.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.791 1.236 . . . . 10.0 110.016 169.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.94 -41.38 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.734 1.214 . . . . 10.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -60.69 -21.99 63.44 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.139 1.163 . . . . 10.0 114.139 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -110.42 15.51 22.16 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.387 1.475 . . . . 10.0 112.479 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.58 -45.2 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.476 1.511 . . . . 10.0 109.431 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -137.23 98.77 10.09 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 124.495 1.118 . . . . 10.0 108.432 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -1.67 0.86 Allowed 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 124.74 3.627 . . . . 10.0 116.639 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . 0.259 40.8 p 53.34 150.19 0.04 OUTLIER Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 131.578 3.951 . . . . 10.0 117.739 -173.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.73 -27.47 14.93 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.011 2.474 . . . . 10.0 112.047 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.14 150.12 10.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 128.095 2.558 . . . . 10.0 108.499 -171.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.24 -16.91 53.44 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.17 1.913 . . . . 10.0 113.786 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -70.44 -26.17 63.53 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.9 1.227 . . . . 10.0 113.009 169.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.14 66.63 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.84 -1.163 . . . . 10.0 113.198 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.64 -27.85 69.51 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.845 1.258 . . . . 10.0 112.562 169.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -91.61 -10.08 41.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.536 1.535 . . . . 10.0 113.443 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.85 142.69 57.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.915 0.886 . . . . 10.0 112.185 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -64.74 -21.3 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -27.97 52.13 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.117 0.967 . . . . 10.0 112.609 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -29.8 70.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.753 0.821 . . . . 10.0 112.053 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.53 -28.26 44.22 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.438 1.273 . . . . 10.0 114.438 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -66.79 -42.85 85.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.273 -0.892 . . . . 10.0 111.678 172.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.8 -40.77 79.43 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.307 1.043 . . . . 10.0 111.533 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.0 t -55.39 -49.06 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.348 1.459 . . . . 10.0 111.998 170.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.66 84.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.126 -0.984 . . . . 10.0 112.783 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -58.56 -46.2 87.39 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.243 1.017 . . . . 10.0 111.697 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.95 96.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.529 0.731 . . . . 10.0 111.961 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.47 -43.53 93.22 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.398 0.999 . . . . 10.0 112.672 172.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -60.44 -51.41 69.6 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.953 0.901 . . . . 10.0 111.133 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.57 -49.68 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.24 0.616 . . . . 10.0 111.119 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.79 -44.55 77.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.962 0.905 . . . . 10.0 112.11 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.24 93.24 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.958 0.789 . . . . 10.0 113.826 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.6 -33.09 68.72 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.92 1.36 . . . . 10.0 112.063 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.8 mmt -73.01 -40.15 65.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.413 1.085 . . . . 10.0 111.196 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -64.12 -48.37 76.35 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.293 1.437 . . . . 10.0 113.643 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.29 -13.82 42.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.875 1.435 . . . . 10.0 114.875 -174.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -126.73 -8.26 6.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.999 1.851 . . . . 10.0 115.999 -169.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 140.29 44.95 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.707 1.14 . . . . 10.0 112.604 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.09 -26.14 65.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.802 1.241 . . . . 10.0 113.743 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 92.4 p -150.24 166.34 30.21 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.596 1.558 . . . . 10.0 111.883 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -60.54 -40.65 92.32 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.813 0.845 . . . . 10.0 112.467 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.86 -44.1 94.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.148 0.979 . . . . 10.0 112.781 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.28 -36.88 80.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.379 -0.825 . . . . 10.0 112.131 175.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.13 -51.79 68.5 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 111.515 172.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -51.97 -48.05 64.54 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -62.51 -41.59 98.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.345 0.521 . . . . 10.0 112.145 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 48.8 mt -63.87 -45.38 89.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.403 1.081 . . . . 10.0 112.702 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 38.3 mt -54.57 -53.55 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.859 0.754 . . . . 10.0 110.321 171.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.89 74.25 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.959 0.904 . . . . 10.0 113.045 -175.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.13 -46.58 77.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.412 1.085 . . . . 10.0 111.606 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.588 -0.695 . . . . 10.0 111.448 171.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 6.2 mm -57.83 -39.01 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.66 0.784 . . . . 10.0 112.539 170.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -64.75 -48.5 74.33 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.285 0.948 . . . . 10.0 110.849 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -46.72 38.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.469 1.508 . . . . 10.0 112.921 171.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 46.4 mm -70.49 -58.7 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 119.672 1.124 . . . . 10.0 112.297 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -72.66 -41.69 65.14 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -39.44 93.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.258 0.935 . . . . 10.0 111.581 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.5 -48.14 82.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.138 0.575 . . . . 10.0 111.573 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.52 -39.34 70.41 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.049 0.84 . . . . 10.0 112.18 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.94 -10.62 14.25 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.213 1.56 . . . . 10.0 115.213 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -133.85 -22.68 1.84 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -98.55 -1.14 41.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.657 1.583 . . . . 10.0 113.345 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 C-N-CA 125.233 1.413 . . . . 10.0 114.666 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.702 0.287 . . . . 10.0 111.105 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 18.9 tp -137.77 77.88 37.75 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.395 1.478 . . . . 10.0 109.581 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.47 138.85 18.09 Favored 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.772 4.315 . . . . 10.0 113.784 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 36.8 m -58.38 -36.83 74.11 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.916 1.45 . . . . 10.0 114.916 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.97 -41.26 78.15 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.489 -0.757 . . . . 10.0 112.561 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.6 -42.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.237 1.015 . . . . 10.0 110.027 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 50.8 ttp -58.01 -54.27 48.88 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.996 0.918 . . . . 10.0 111.18 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.68 -39.8 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.1 0.864 . . . . 10.0 113.112 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -64.69 -46.31 82.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.178 0.591 . . . . 10.0 112.294 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.87 -45.64 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.542 -0.724 . . . . 10.0 111.476 172.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.78 -32.46 73.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.322 0.965 . . . . 10.0 112.894 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -69.51 -47.95 62.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.288 1.035 . . . . 10.0 111.836 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -80.06 -39.6 29.44 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.659 1.726 . . . . 10.0 115.659 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 120.203 3.409 . . . . 10.0 120.203 -170.351 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 119.296 -0.383 . . . . 10.0 111.527 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.93 -52.0 65.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.397 1.479 . . . . 10.0 112.043 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.39 -43.33 99.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.794 1.238 . . . . 10.0 112.161 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.52 -45.68 78.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.366 1.066 . . . . 10.0 112.325 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.01 -26.76 63.26 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.229 1.812 . . . . 10.0 113.272 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.63 -41.92 67.22 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.965 0.906 . . . . 10.0 113.213 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.38 -54.93 37.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.687 0.795 . . . . 10.0 111.968 170.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.02 -26.89 66.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.553 1.541 . . . . 10.0 113.771 -171.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 83.2 p -58.61 -25.95 63.17 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.811 1.412 . . . . 10.0 114.811 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.6 m -59.55 -38.28 80.66 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.515 1.126 . . . . 10.0 113.849 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 CA--C 1.539 0.526 0 O-C-N 121.172 -0.955 . . . . 10.0 112.271 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.365 0 N-CA-C 115.458 0.943 . . . . 10.0 115.458 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -53.34 -22.1 6.79 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.662 1.585 . . . . 10.0 114.753 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.49 -28.52 59.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.162 1.385 . . . . 10.0 113.141 173.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.31 -8.15 23.31 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.979 1.311 . . . . 10.0 113.854 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -122.21 4.36 9.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.133 1.773 . . . . 10.0 112.853 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 99.6 t -81.1 152.01 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.902 1.281 . . . . 10.0 110.265 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.5 p -131.8 154.62 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.053 1.341 . . . . 10.0 110.418 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.21 -36.58 80.31 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.399 -0.813 . . . . 10.0 111.529 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -59.06 -41.18 87.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.896 0.878 . . . . 10.0 112.395 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.27 -54.32 42.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.017 0.527 . . . . 10.0 110.733 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -53.64 -47.49 70.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.408 0.683 . . . . 10.0 112.139 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.9 m -58.1 -53.03 62.86 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.297 1.039 . . . . 10.0 112.915 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -68.06 -37.02 80.82 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.026 -0.421 . . . . 10.0 112.053 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.27 -41.27 90.13 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.257 -0.877 . . . . 10.0 112.539 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.49 -48.53 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.737 1.153 . . . . 10.0 110.435 169.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.62 -45.36 92.19 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -67.13 -32.14 73.07 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.168 0.987 . . . . 10.0 112.681 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -54.27 46.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.838 0.855 . . . . 10.0 109.079 169.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.83 -46.1 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.371 1.469 . . . . 10.0 112.848 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -59.82 -38.99 83.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.787 0.721 . . . . 10.0 112.724 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.56 65.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 92.5 mt -57.9 -47.44 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.342 1.057 . . . . 10.0 110.906 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . 0.426 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 3.4 t80 -149.33 109.84 3.42 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.676 0.79 . . . . 10.0 110.453 170.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -57.17 -8.2 3.3 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 124.551 3.5 . . . . 10.0 117.289 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 72.25 147.02 0.12 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 128.787 2.835 . . . . 10.0 114.397 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.426 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 55.6 Cg_endo -85.29 -28.83 0.75 Allowed 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.795 2.997 . . . . 10.0 112.621 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -162.09 147.04 9.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 127.908 2.483 . . . . 10.0 108.994 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -67.26 -15.0 44.93 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.17 1.914 . . . . 10.0 113.999 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.26 -29.74 65.46 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 111.947 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.39 -28.26 68.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.19 -24.37 18.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.565 1.546 . . . . 10.0 114.14 175.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 0.89 13.47 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.433 1.493 . . . . 10.0 114.396 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.25 145.32 55.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.508 0.723 . . . . 10.0 109.814 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -63.28 -24.0 67.67 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.177 -0.952 . . . . 10.0 112.608 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -68.77 -17.51 64.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.519 1.527 . . . . 10.0 114.077 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 19.9 ttt -113.21 -25.89 8.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.986 0.914 . . . . 10.0 113.281 171.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -55.25 -35.41 64.95 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.632 1.56 . . . . 10.0 112.74 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -67.57 -41.82 83.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.046 0.938 . . . . 10.0 112.348 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.9 1.28 . . . . 10.0 111.309 173.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.2 t -57.51 -42.44 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 126.649 1.979 . . . . 10.0 112.022 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.46 94.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.007 . . . . 10.0 112.1 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.7 -46.84 87.96 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.663 0.665 . . . . 10.0 110.722 170.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.63 85.79 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.172 0.896 . . . . 10.0 112.159 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.68 -44.71 95.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.619 0.768 . . . . 10.0 112.743 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.83 -43.56 98.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.286 1.034 . . . . 10.0 112.198 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.69 -53.56 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.409 1.084 . . . . 10.0 110.475 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -55.5 -45.03 77.08 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.381 0.672 . . . . 10.0 112.307 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.44 74.69 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.131 0.872 . . . . 10.0 114.833 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -84.49 -36.83 21.98 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.821 1.311 . . . . 10.0 111.724 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 34.6 mmt -66.6 -36.76 83.39 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.211 1.004 . . . . 10.0 111.097 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.9 -34.73 70.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.796 1.638 . . . . 10.0 113.348 170.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -89.82 -2.29 58.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.4 m -106.23 11.41 31.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.943 1.297 . . . . 10.0 113.72 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -134.18 129.53 35.92 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.491 1.116 . . . . 10.0 113.418 -170.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -14.28 60.53 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 74.0 p -145.97 161.64 39.62 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.497 1.519 . . . . 10.0 111.905 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -33.79 75.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.833 0.853 . . . . 10.0 112.365 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.25 -44.39 88.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.755 1.222 . . . . 10.0 112.633 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.61 -37.76 85.54 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.402 -0.811 . . . . 10.0 111.844 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.15 -51.68 68.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.092 0.957 . . . . 10.0 111.992 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.2 -45.47 68.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.54 -41.58 90.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.695 0.68 . . . . 10.0 112.006 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.64 -47.81 77.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.429 0.692 . . . . 10.0 112.483 172.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 26.1 mt -57.73 -45.55 85.63 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.511 1.051 . . . . 10.0 111.78 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.09 76.63 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.784 0.834 . . . . 10.0 112.468 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.06 -43.71 98.47 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.815 0.734 . . . . 10.0 110.672 169.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -65.85 -41.23 91.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.565 0.746 . . . . 10.0 111.911 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.6 mt -56.87 -51.81 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.305 0.957 . . . . 10.0 110.178 169.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.89 -49.83 75.39 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.678 0.791 . . . . 10.0 111.958 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -53.66 -55.04 29.49 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.931 0.892 . . . . 10.0 111.258 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.25 -49.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.311 0.505 . . . . 10.0 109.731 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.45 -44.67 92.9 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.511 -0.743 . . . . 10.0 112.618 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.6 mmpt? -72.14 -41.39 67.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.272 1.029 . . . . 10.0 113.146 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.11 -48.36 82.04 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.994 0.918 . . . . 10.0 111.071 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.85 -52.67 64.73 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.855 0.862 . . . . 10.0 111.201 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.3 -43.67 79.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.596 0.758 . . . . 10.0 112.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.33 -45.16 73.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.256 -0.903 . . . . 10.0 113.055 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -66.13 -29.42 69.72 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 . . . . . 0 N--CA 1.478 0.949 0 C-N-CA 124.861 1.264 . . . . 10.0 112.736 171.522 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 113.123 0.786 . . . . 10.0 113.123 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.3 tp -159.16 77.6 3.04 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.652 1.181 . . . . 10.0 110.189 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 80.1 Cg_exo -46.53 128.69 12.98 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 125.231 3.954 . . . . 10.0 112.812 173.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.5 p -60.91 -39.56 89.82 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -171.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.88 -34.78 78.54 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.359 -0.838 . . . . 10.0 112.684 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 89.6 mt -76.2 -41.55 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.993 1.317 . . . . 10.0 110.196 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.1 ttt -53.38 -47.46 69.47 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.799 1.24 . . . . 10.0 111.575 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.84 -41.92 71.31 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.832 0.742 . . . . 10.0 112.918 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -65.93 -41.26 91.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.746 0.819 . . . . 10.0 112.254 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.03 -42.87 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.267 -0.896 . . . . 10.0 111.789 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.27 -31.89 73.27 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.044 0.838 . . . . 10.0 112.308 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -71.56 -43.94 65.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.054 0.942 . . . . 10.0 112.286 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -80.01 -47.16 15.37 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -174.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 117.864 2.542 . . . . 10.0 117.864 -169.531 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 119.204 -0.427 . . . . 10.0 112.142 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.27 -45.09 94.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.933 1.293 . . . . 10.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.45 -43.35 99.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.479 0.712 . . . . 10.0 111.647 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.12 -46.34 84.57 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.672 0.789 . . . . 10.0 111.437 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.58 -32.44 73.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.072 2.149 . . . . 10.0 113.583 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.01 -39.79 66.41 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.449 1.022 . . . . 10.0 113.622 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.82 -20.76 48.95 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.949 0.899 . . . . 10.0 113.052 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 58.0 ttm -80.02 -36.94 35.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.203 0.911 . . . . 10.0 110.912 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 73.9 m -51.01 -35.75 35.76 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.307 1.043 . . . . 10.0 111.74 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 27.2 m -50.58 -43.66 56.56 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.008 1.323 . . . . 10.0 113.752 175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 CA--C 1.543 0.69 0 O-C-N 120.933 -1.104 . . . . 10.0 111.464 -178.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.392 0 N-CA-C 115.528 0.971 . . . . 10.0 115.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -127.21 -10.89 5.85 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.66 1.726 . . . . 10.0 115.66 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -66.68 -24.76 66.31 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.314 -0.866 . . . . 10.0 113.284 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -18.11 63.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -94.26 -17.07 23.03 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.272 1.429 . . . . 10.0 112.874 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.52 150.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.337 1.455 . . . . 10.0 111.148 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 52.0 p -127.43 155.78 43.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.165 1.386 . . . . 10.0 110.583 171.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -58.88 -40.33 84.09 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.645 -0.66 . . . . 10.0 111.555 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.49 -35.1 79.34 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.31 -47.94 83.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.086 0.555 . . . . 10.0 111.358 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -59.48 -50.37 74.2 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.816 0.846 . . . . 10.0 111.257 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.7 m -56.21 -51.6 67.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.414 1.085 . . . . 10.0 112.927 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.45 -41.68 84.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.927 0.491 . . . . 10.0 111.472 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.23 -38.57 88.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 117.489 -1.243 . . . . 10.0 112.863 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.31 -49.86 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.64 1.564 . . . . 10.0 110.541 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -61.68 -48.17 82.03 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -68.02 -26.88 66.11 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.599 -0.688 . . . . 10.0 112.705 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.2 -55.45 34.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 168.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.22 -46.14 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.442 1.097 . . . . 10.0 112.192 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -58.65 -40.74 84.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.21 57.09 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.689 -0.632 . . . . 10.0 111.896 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.02 -46.14 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.878 1.271 . . . . 10.0 111.165 -175.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -144.6 104.86 4.6 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 123.828 0.851 . . . . 10.0 109.251 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -58.18 -10.84 8.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 124.497 3.465 . . . . 10.0 116.757 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 70.3 p 61.1 148.28 0.08 OUTLIER Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 129.436 3.095 . . . . 10.0 115.836 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 -34.53 9.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.925 2.417 . . . . 10.0 112.347 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -156.32 158.91 31.7 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.168 2.587 . . . . 10.0 109.165 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.19 -16.21 39.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.684 2.256 . . . . 10.0 113.402 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.54 71.41 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.309 -0.87 . . . . 10.0 112.284 169.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.63 58.62 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.571 0.952 . . . . 10.0 113.571 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 74.3 mt -56.62 -21.72 29.05 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.483 1.513 . . . . 10.0 113.539 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -121.56 14.65 11.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.153 1.781 . . . . 10.0 113.945 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.59 143.97 48.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.163 0.985 . . . . 10.0 111.641 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -11.57 2.48 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.791 2.145 . . . . 10.0 116.791 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -107.43 -20.69 13.18 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.716 1.606 . . . . 10.0 113.004 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.35 -34.71 78.78 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.393 0.997 . . . . 10.0 110.227 169.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -52.57 -37.71 58.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.91 1.284 . . . . 10.0 114.185 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.18 -40.95 82.11 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.572 -0.705 . . . . 10.0 111.294 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.0 -36.68 80.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.811 0.845 . . . . 10.0 112.47 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.01 -42.65 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.807 1.643 . . . . 10.0 111.294 173.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.81 93.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.241 -0.912 . . . . 10.0 112.257 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -59.01 -46.16 88.88 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.078 0.951 . . . . 10.0 112.061 170.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.9 99.36 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.403 -0.811 . . . . 10.0 111.838 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.23 -42.37 99.25 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.33 0.968 . . . . 10.0 112.715 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.66 -48.29 77.81 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.91 1.284 . . . . 10.0 111.975 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.67 -49.75 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.102 0.961 . . . . 10.0 110.187 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.03 -44.75 83.21 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.127 0.876 . . . . 10.0 112.59 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.06 83.56 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.876 0.75 . . . . 10.0 114.025 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.77 -40.52 63.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.753 1.276 . . . . 10.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.9 mmt -66.85 -35.15 79.38 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.335 1.054 . . . . 10.0 111.502 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -64.16 -50.88 66.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.361 1.464 . . . . 10.0 112.551 171.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.78 -25.65 67.35 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.6 m -78.15 -7.29 56.86 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.57 140.66 37.23 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.751 1.019 . . . . 10.0 113.751 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -90.97 -11.14 39.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.206 1.802 . . . . 10.0 112.335 174.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.9 p -149.49 162.41 40.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.403 1.481 . . . . 10.0 112.837 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -57.16 -40.96 78.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.293 1.037 . . . . 10.0 112.103 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.62 -43.85 95.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.677 1.191 . . . . 10.0 112.461 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.46 -37.64 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.399 -0.813 . . . . 10.0 112.187 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.41 -54.93 41.42 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.281 1.032 . . . . 10.0 111.794 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.03 -47.87 53.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.863 0.865 . . . . 10.0 112.262 169.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -64.99 -41.68 95.19 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.325 -0.859 . . . . 10.0 112.188 -176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.1 -42.91 99.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.45 1.1 . . . . 10.0 112.189 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.4 -52.95 63.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.622 0.646 . . . . 10.0 111.571 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.99 76.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.37 -48.06 74.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.19 -0.944 . . . . 10.0 112.428 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -68.47 -30.07 68.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.215 -0.928 . . . . 10.0 111.443 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.73 -48.49 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.389 1.076 . . . . 10.0 111.586 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.84 -47.33 85.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.578 0.751 . . . . 10.0 111.603 172.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -54.5 24.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.545 1.538 . . . . 10.0 111.907 176.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.33 -50.22 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.042 1.337 . . . . 10.0 110.987 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.27 -46.46 86.71 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.967 0.507 . . . . 10.0 112.057 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.73 62.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.567 1.147 . . . . 10.0 113.267 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -63.88 -39.96 95.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.93 0.492 . . . . 10.0 112.29 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.86 -40.09 9.9 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.61 -44.15 76.77 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.335 0.971 . . . . 10.0 113.368 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.27 -21.42 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.576 -1.327 . . . . 10.0 113.665 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -90.38 -10.55 43.53 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.809 1.244 . . . . 10.0 113.349 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 N--CA 1.484 1.264 0 C-N-CA 126.24 1.816 . . . . 10.0 113.659 -170.214 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 29.6 mm . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.2 tp -123.43 86.1 52.23 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 127.119 2.168 . . . . 10.0 109.933 -173.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.44 137.95 24.66 Favored 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 125.497 4.131 . . . . 10.0 113.715 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 34.6 p -58.21 -37.63 75.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.58 -37.07 84.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.631 0.772 . . . . 10.0 112.851 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.52 -43.46 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 10.0 110.25 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 42.3 ttp -54.37 -48.73 71.16 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.741 1.217 . . . . 10.0 111.528 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -53.23 -38.31 62.82 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.35 -42.33 96.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.726 -0.609 . . . . 10.0 112.255 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 11.3 t -69.18 -44.41 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.619 0.768 . . . . 10.0 110.938 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 44.1 mt -59.12 -43.06 91.93 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.345 0.975 . . . . 10.0 112.511 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -67.96 -41.07 82.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.888 0.875 . . . . 10.0 112.905 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -80.12 -35.16 37.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -175.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 49.7 p . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 120.632 3.567 . . . . 10.0 120.632 -169.446 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.38 -56.3 21.66 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.606 1.162 . . . . 10.0 112.013 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.07 -38.64 86.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.516 0.598 . . . . 10.0 112.099 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.18 -42.23 90.32 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.091 0.859 . . . . 10.0 111.627 174.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.15 -29.01 67.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.881 1.273 . . . . 10.0 113.706 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 53.1 mt -53.92 -40.8 67.03 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.042 1.292 . . . . 10.0 112.755 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.44 -45.71 24.88 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 171.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.5 mtm -64.1 -26.03 68.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 98.6 p -66.7 -19.96 65.87 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -53.04 -28.67 25.59 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.598 1.703 . . . . 10.0 115.598 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.473 0.704 0 O-C-N 120.811 -1.181 . . . . 10.0 113.863 177.039 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.247 0 N-CA-C 114.612 0.605 . . . . 10.0 114.612 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -62.57 -13.87 36.0 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.699 1.74 . . . . 10.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.91 -23.3 66.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.226 1.41 . . . . 10.0 114.013 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.05 -16.18 40.77 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.677 1.362 . . . . 10.0 114.677 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -94.79 13.94 22.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.33 1.452 . . . . 10.0 113.372 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.03 147.09 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.763 1.625 . . . . 10.0 110.353 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 97.7 m -135.59 153.47 51.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.295 1.838 . . . . 10.0 110.166 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -51.13 -42.75 60.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.41 -39.49 67.33 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.98 0.809 . . . . 10.0 112.891 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 42.2 tp -68.67 -47.83 65.5 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.242 0.617 . . . . 10.0 111.07 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -52.24 -51.61 57.33 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.364 1.066 . . . . 10.0 112.243 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.6 m -55.25 -47.01 76.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.105 1.362 . . . . 10.0 112.383 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -69.28 -43.81 73.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.553 0.741 . . . . 10.0 111.874 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.84 -35.69 81.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.392 0.996 . . . . 10.0 112.862 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.19 -51.73 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.323 0.965 . . . . 10.0 110.69 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -61.9 -38.13 87.21 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.737 -0.602 . . . . 10.0 112.297 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -66.65 -34.25 77.46 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.69 1.196 . . . . 10.0 112.549 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.15 66.68 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.113 0.965 . . . . 10.0 108.97 168.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.77 -46.39 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.726 1.21 . . . . 10.0 113.265 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -60.88 -37.46 82.26 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.4 -28.83 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.87 -49.94 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.395 1.078 . . . . 10.0 110.254 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -140.4 100.09 6.99 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.724 0.809 . . . . 10.0 110.587 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -68.35 93.69 0.42 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.644 2.896 . . . . 10.0 108.804 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 7.7 p -54.75 147.64 30.45 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.613 1.565 . . . . 10.0 114.477 -171.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.89 -32.55 17.83 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.898 2.399 . . . . 10.0 112.394 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -152.73 159.84 31.9 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 127.24 2.216 . . . . 10.0 110.084 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.58 -21.22 39.96 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.854 2.369 . . . . 10.0 112.27 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.53 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.392 -0.818 . . . . 10.0 111.556 169.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.0 85.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.801 0.84 . . . . 10.0 112.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.29 -46.16 91.45 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.169 1.387 . . . . 10.0 112.216 172.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.31 -31.04 65.35 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.636 1.174 . . . . 10.0 113.862 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.38 141.55 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.955 1.302 . . . . 10.0 113.242 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -23.37 6.26 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.118 1.895 . . . . 10.0 116.118 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.0 -33.62 72.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.499 1.045 . . . . 10.0 113.018 172.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.6 tpt -77.87 -34.19 51.73 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.175 0.99 . . . . 10.0 112.002 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.18 -30.22 61.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.39 0.885 . . . . 10.0 113.39 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -61.64 -38.92 89.48 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.599 1.16 . . . . 10.0 112.645 173.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.76 -45.98 40.28 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.04 1.336 . . . . 10.0 111.574 171.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.3 t -55.53 -39.69 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.498 1.119 . . . . 10.0 112.306 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.01 92.38 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.521 1.128 . . . . 10.0 112.54 175.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.04 -43.45 92.3 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.601 -0.687 . . . . 10.0 110.63 171.774 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.57 86.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.133 0.879 . . . . 10.0 112.437 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -60.32 -47.66 85.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.309 0.958 . . . . 10.0 112.447 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.53 -45.09 95.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.222 1.009 . . . . 10.0 112.251 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.47 -52.39 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.267 1.027 . . . . 10.0 110.758 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.75 -44.16 69.74 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.364 0.983 . . . . 10.0 112.219 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.94 -32.79 81.95 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.01 0.814 . . . . 10.0 113.95 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.38 -35.94 58.37 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.128 1.464 . . . . 10.0 111.814 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.2 mmt -66.68 -39.64 88.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.908 0.883 . . . . 10.0 110.796 173.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.3 -48.38 75.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.144 1.378 . . . . 10.0 112.892 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -66.63 -20.7 66.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.148 1.166 . . . . 10.0 114.148 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.1 p -104.77 -26.68 12.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.14 130.48 43.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.882 0.873 . . . . 10.0 113.259 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -77.39 -10.47 59.47 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 25.1 p -149.91 163.63 37.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.684 1.194 . . . . 10.0 112.539 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -63.48 -36.47 83.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.104 1.362 . . . . 10.0 113.093 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.33 -44.14 76.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.15 0.98 . . . . 10.0 111.457 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.26 -35.98 82.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.276 0.63 . . . . 10.0 111.831 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.58 -57.06 14.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.651 1.18 . . . . 10.0 112.57 173.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.17 -44.8 71.82 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -58.85 -43.0 90.65 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.505 0.593 . . . . 10.0 112.108 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.29 -43.59 85.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.372 1.069 . . . . 10.0 112.64 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.18 -48.77 75.73 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.348 0.976 . . . . 10.0 111.294 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -36.92 78.05 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.12 -42.83 99.63 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.389 -0.819 . . . . 10.0 111.296 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -41.15 95.43 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.841 -1.076 . . . . 10.0 112.858 174.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.2 mt -53.05 -54.55 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.382 0.992 . . . . 10.0 109.425 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -40.5 68.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.505 -0.759 . . . . 10.0 112.333 -169.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -47.17 63.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.094 0.861 . . . . 10.0 111.646 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 59.7 mt -59.44 -49.15 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.765 0.426 . . . . 10.0 110.732 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -76.46 -49.98 15.25 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -169.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . 0.284 22.1 ptmt -70.63 -17.09 62.88 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 120.665 1.575 . . . . 10.0 113.467 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -78.29 -43.63 27.5 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.615 0.643 . . . . 10.0 110.432 168.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.36 -36.25 77.58 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.038 -1.039 . . . . 10.0 112.995 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.1 -22.36 39.02 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.011 0.924 . . . . 10.0 113.41 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.26 -47.2 7.33 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.56 1.144 . . . . 10.0 112.183 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -70.0 -8.58 50.24 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? . . . . . 0 N--CA 1.483 1.184 0 C-N-CA 126.691 1.996 . . . . 10.0 112.998 170.454 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 37.2 mm . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.5 tp -147.7 84.41 7.05 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 125.894 1.677 . . . . 10.0 107.986 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . 0.444 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 39.4 Cg_exo -48.11 6.25 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.135 2 C-N-CA 129.423 6.749 . . . . 10.0 122.719 -169.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 25.4 m 65.31 -50.02 0.36 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.387 2.275 . . . . 10.0 115.392 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.33 -46.38 73.66 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.923 -1.111 . . . . 10.0 111.792 174.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.59 -35.3 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 122.904 0.482 . . . . 10.0 110.431 170.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 26.1 ttt -55.75 -49.96 71.68 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.221 0.919 . . . . 10.0 111.468 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.74 -42.04 71.14 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 10.0 112.918 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.38 -47.86 83.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.429 1.092 . . . . 10.0 112.515 172.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.32 -43.44 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.472 1.033 . . . . 10.0 111.035 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.79 -36.11 82.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.064 0.847 . . . . 10.0 112.647 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.83 -40.04 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.195 0.998 . . . . 10.0 112.977 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -79.98 -36.13 36.49 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.116 1.525 . . . . 10.0 115.116 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 117.343 2.349 . . . . 10.0 117.343 -171.293 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 119.133 -0.461 . . . . 10.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -55.58 -46.34 77.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.206 1.402 . . . . 10.0 112.841 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.86 -44.47 80.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.637 0.775 . . . . 10.0 112.217 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.08 -42.07 80.96 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.641 -0.662 . . . . 10.0 111.609 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.2 tp -71.5 -26.3 62.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.524 1.93 . . . . 10.0 112.876 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -42.05 60.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.183 1.393 . . . . 10.0 113.164 -178.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.72 -54.9 15.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.689 1.196 . . . . 10.0 111.62 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 40.9 ttm -58.73 -31.99 68.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.631 1.173 . . . . 10.0 114.111 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.7 m -61.92 -19.86 63.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.838 1.655 . . . . 10.0 114.686 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 44.6 m -55.6 -23.05 25.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.106 1.362 . . . . 10.0 114.255 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.476 0.86 0 CA-C-N 119.93 1.241 . . . . 10.0 113.675 172.845 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.303 0 N-CA-C 114.422 0.529 . . . . 10.0 114.422 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -118.43 -5.09 10.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.991 1.316 . . . . 10.0 114.049 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.59 -22.9 66.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.732 1.213 . . . . 10.0 111.981 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -60.53 -19.28 56.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.265 2.226 . . . . 10.0 113.586 173.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -90.33 6.81 41.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.059 1.344 . . . . 10.0 113.247 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.81 160.4 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.655 1.982 . . . . 10.0 110.322 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.7 t -146.23 157.55 43.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.987 1.315 . . . . 10.0 111.401 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -57.54 -34.38 69.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.713 1.205 . . . . 10.0 113.261 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.34 -36.17 82.8 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.473 -0.767 . . . . 10.0 112.354 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.51 -48.97 62.99 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 118.951 -0.547 . . . . 10.0 110.538 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -51.81 -47.34 64.32 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.47 0.708 . . . . 10.0 111.675 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 52.9 m -58.22 -50.74 72.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.003 1.321 . . . . 10.0 112.632 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.87 -38.23 82.82 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.945 -0.472 . . . . 10.0 111.832 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.93 -40.12 94.41 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.888 -1.133 . . . . 10.0 111.936 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.79 -48.52 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.939 1.245 . . . . 10.0 110.964 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -57.63 -40.97 80.4 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -70.97 -36.11 72.4 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.992 0.917 . . . . 10.0 112.895 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.39 -52.79 64.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.588 1.155 . . . . 10.0 110.045 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.53 -47.81 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.015 1.726 . . . . 10.0 113.104 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.74 -30.93 69.66 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.1 73.74 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.038 0.835 . . . . 10.0 111.878 171.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 57.8 mt -64.05 -51.38 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.049 0.94 . . . . 10.0 110.96 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -146.14 104.46 4.11 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.756 0.823 . . . . 10.0 110.733 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.7 -12.55 21.98 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.265 3.31 . . . . 10.0 116.575 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 66.5 p 64.13 147.84 0.1 OUTLIER Pre-proline 0 N--CA 1.484 1.228 0 C-N-CA 129.085 2.954 . . . . 10.0 115.198 -169.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.08 -34.0 10.91 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.785 2.323 . . . . 10.0 112.353 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -157.09 159.49 31.14 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 128.245 2.618 . . . . 10.0 109.065 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.29 -18.9 44.59 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.771 2.314 . . . . 10.0 113.19 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.59 73.68 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.625 0.77 . . . . 10.0 112.721 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -70.79 -21.21 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.95 -27.98 67.25 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.535 1.134 . . . . 10.0 112.972 170.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -78.02 -17.0 57.61 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.138 1.375 . . . . 10.0 113.832 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.25 143.83 57.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.904 0.882 . . . . 10.0 112.82 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -63.55 -29.87 71.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.003 0.921 . . . . 10.0 113.036 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -73.26 -32.12 64.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.377 0.671 . . . . 10.0 112.65 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -70.11 -36.75 75.08 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.061 0.846 . . . . 10.0 111.038 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.42 -38.35 86.79 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.326 1.05 . . . . 10.0 112.656 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -66.2 -40.24 90.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.158 -0.964 . . . . 10.0 112.284 171.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.03 -45.13 94.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.932 0.893 . . . . 10.0 111.67 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.5 t -54.73 -45.06 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.896 1.678 . . . . 10.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.27 -39.43 86.08 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.184 0.994 . . . . 10.0 112.993 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . 0.444 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -59.89 -43.78 94.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.251 1.02 . . . . 10.0 111.559 170.261 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.96 95.85 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.292 -0.88 . . . . 10.0 112.249 173.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.4 -45.22 95.25 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.734 1.152 . . . . 10.0 112.49 171.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -47.98 82.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.151 . . . . 10.0 111.905 177.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.06 -40.77 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.735 -0.65 . . . . 10.0 111.71 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.1 -49.51 68.97 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.011 1.278 . . . . 10.0 111.225 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.21 -38.59 94.72 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.547 0.594 . . . . 10.0 113.884 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.4 -35.8 78.21 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.806 1.303 . . . . 10.0 112.34 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.79 -39.62 69.76 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.27 . . . . 10.0 110.925 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.38 -38.8 91.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.484 1.514 . . . . 10.0 112.551 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -79.76 5.27 13.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.329 1.452 . . . . 10.0 114.198 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.8 m -120.83 14.51 11.65 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.608 1.563 . . . . 10.0 113.444 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -131.26 150.33 52.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.643 1.177 . . . . 10.0 113.329 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -103.98 -3.22 24.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.827 1.651 . . . . 10.0 112.611 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 63.4 p -154.22 161.75 41.63 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 126.507 1.923 . . . . 10.0 110.102 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -27.38 68.66 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 175.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -71.21 -37.33 72.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.795 0.838 . . . . 10.0 112.027 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.69 -39.43 84.41 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.456 -0.778 . . . . 10.0 111.526 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.49 -52.5 65.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.927 0.891 . . . . 10.0 111.704 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -49.19 -47.8 45.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.59 -42.92 99.85 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.509 0.595 . . . . 10.0 112.322 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.27 -42.89 96.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.554 0.742 . . . . 10.0 112.741 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.4 mt -55.74 -54.15 47.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.644 0.656 . . . . 10.0 110.458 170.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -28.67 66.68 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.498 0.925 . . . . 10.0 113.498 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -67.71 -41.8 82.99 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.456 1.025 . . . . 10.0 111.877 171.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -34.74 78.52 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.277 -0.889 . . . . 10.0 111.645 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.42 -45.64 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.391 1.077 . . . . 10.0 111.884 170.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -55.93 -48.98 74.74 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.089 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -53.4 -58.13 8.2 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.298 0.954 . . . . 10.0 111.644 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.98 -48.81 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.602 0.637 . . . . 10.0 111.185 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.54 -52.51 63.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.205 0.602 . . . . 10.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -36.36 78.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.096 0.958 . . . . 10.0 112.485 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -69.68 -49.54 52.53 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.051 0.54 . . . . 10.0 111.997 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.57 -32.63 74.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.996 1.271 . . . . 10.0 112.472 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -60.54 -6.87 1.81 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.356 1.613 . . . . 10.0 115.356 169.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -122.86 -36.57 2.86 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.982 1.265 . . . . 10.0 113.711 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -63.83 -11.44 27.22 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.939 1.296 . . . . 10.0 114.07 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 126.527 1.931 . . . . 10.0 113.044 172.441 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.647 0.737 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.8 tp -146.15 76.89 12.17 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.246 2.218 . . . . 10.0 108.384 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . 0.444 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 32.3 Cg_exo -42.86 136.87 4.56 Favored 'Trans proline' 0 C--N 1.353 0.791 1 C-N-CA 126.395 4.73 . . . . 10.0 114.29 178.674 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 19.7 m -51.08 -40.01 57.39 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.752 . . . . 10.0 115.729 -169.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.19 -27.2 60.7 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.85 -42.6 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 169.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 49.7 ttp -52.95 -54.28 37.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.647 0.779 . . . . 10.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.43 -42.29 70.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.415 1.086 . . . . 10.0 112.844 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -61.95 -47.02 86.73 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.247 1.019 . . . . 10.0 112.341 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.65 -44.18 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.238 0.926 . . . . 10.0 111.159 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.51 -34.52 78.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.154 0.888 . . . . 10.0 113.056 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.99 42.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.8 -47.73 20.66 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 -170.869 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.5 tptt . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.83 -47.75 73.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.732 1.213 . . . . 10.0 112.395 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.05 -43.38 91.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.069 0.948 . . . . 10.0 112.154 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.27 -48.03 68.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.472 0.709 . . . . 10.0 111.446 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.29 -29.47 68.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.982 1.713 . . . . 10.0 113.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.79 -44.05 63.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.708 1.203 . . . . 10.0 113.203 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.33 -20.17 62.22 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.35 0.87 . . . . 10.0 113.35 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 50.2 ttm -80.05 -40.62 27.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.883 0.765 . . . . 10.0 110.172 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -55.29 -27.63 48.05 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.891 1.276 . . . . 10.0 113.271 175.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 52.2 m -46.05 -40.64 10.99 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.781 1.232 . . . . 10.0 113.221 169.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 CA--C 1.542 0.65 0 O-C-N 121.608 -0.683 . . . . 10.0 112.577 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.356 0 N-CA-C 114.645 0.618 . . . . 10.0 114.645 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -132.92 -7.19 3.11 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.727 1.381 . . . . 10.0 114.727 -170.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -61.45 -29.02 69.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.718 1.207 . . . . 10.0 113.144 -170.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -16.33 62.65 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.554 1.942 . . . . 10.0 114.932 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -41.76 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.855 0.862 . . . . 10.0 111.93 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.89 148.9 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 10.0 110.518 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.5 p -111.73 162.02 15.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.145 1.378 . . . . 10.0 111.398 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -57.17 -34.14 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.145 -0.972 . . . . 10.0 113.521 171.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.02 -41.39 86.71 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.708 0.686 . . . . 10.0 111.419 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -47.19 82.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.168 0.587 . . . . 10.0 111.56 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -58.45 -52.15 66.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.574 0.75 . . . . 10.0 111.729 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -53.08 -50.62 64.01 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.789 0.835 . . . . 10.0 113.159 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -73.14 -38.61 66.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.023 -0.513 . . . . 10.0 112.068 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.08 -35.38 78.49 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.587 -1.196 . . . . 10.0 112.046 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.38 -50.64 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 120.449 1.477 . . . . 10.0 110.709 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -59.24 -44.82 92.34 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -34.46 76.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.562 0.745 . . . . 10.0 112.437 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.64 -53.19 55.45 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.757 0.823 . . . . 10.0 109.875 169.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.82 -46.02 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.068 0.947 . . . . 10.0 112.162 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -63.87 -24.21 67.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -104.7 -25.96 12.48 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.202 0.91 . . . . 10.0 113.297 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.53 -43.43 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 118.807 0.73 . . . . 10.0 109.409 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.7 105.43 6.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.112 0.965 . . . . 10.0 108.776 169.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.19 92.21 0.27 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.496 2.797 . . . . 10.0 110.603 169.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 6.8 t -51.12 140.05 22.95 Favored Pre-proline 0 N--CA 1.473 0.687 0 C-N-CA 126.318 1.847 . . . . 10.0 113.335 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.5 -30.62 14.88 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.97 2.447 . . . . 10.0 111.992 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -150.97 159.93 32.95 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 128.399 2.68 . . . . 10.0 108.304 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.62 -20.92 34.85 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.314 2.009 . . . . 10.0 112.403 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.59 -31.58 72.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.036 0.935 . . . . 10.0 113.138 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.85 -21.9 63.31 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.154 -0.967 . . . . 10.0 113.119 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.31 -26.84 68.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.174 0.99 . . . . 10.0 112.925 169.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.81 -12.9 52.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.283 1.433 . . . . 10.0 113.167 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.08 140.86 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.82 0.848 . . . . 10.0 112.202 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -49.23 -35.57 17.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.381 1.472 . . . . 10.0 114.882 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -74.65 -30.42 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.057 0.943 . . . . 10.0 113.053 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -24.16 67.36 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.467 0.707 . . . . 10.0 112.241 173.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.95 -32.06 67.46 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 10.0 113.734 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -67.75 -40.85 84.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.433 1.015 . . . . 10.0 111.516 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.37 -48.09 74.14 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.506 1.522 . . . . 10.0 111.121 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 30.6 t -55.24 -46.33 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.474 1.91 . . . . 10.0 112.704 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.88 -40.98 87.97 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.101 -0.999 . . . . 10.0 112.106 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -59.52 -44.95 93.02 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.096 0.958 . . . . 10.0 112.031 170.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.45 96.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 10.0 112.132 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.94 -43.33 98.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.572 0.624 . . . . 10.0 112.379 172.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -62.77 -49.54 74.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.031 0.932 . . . . 10.0 111.762 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.26 -42.89 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.642 1.177 . . . . 10.0 111.493 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.52 -43.84 80.19 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.53 1.059 . . . . 10.0 111.842 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.2 -36.35 91.68 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.097 0.856 . . . . 10.0 114.404 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.93 -39.36 72.69 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.282 1.541 . . . . 10.0 111.602 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.9 mmt -71.98 -35.07 69.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.198 0.999 . . . . 10.0 111.419 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -65.08 -45.71 84.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.709 1.604 . . . . 10.0 112.622 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.42 -30.86 71.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.81 1.244 . . . . 10.0 112.673 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.5 m -84.98 -5.89 59.35 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.76 128.23 51.17 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.195 1.183 . . . . 10.0 114.195 -169.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -83.15 -10.01 58.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.796 1.638 . . . . 10.0 113.444 174.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.3 p -148.75 162.99 38.66 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.738 1.215 . . . . 10.0 112.429 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -29.96 70.97 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.178 0.991 . . . . 10.0 113.181 176.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.68 -43.86 65.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.8 0.84 . . . . 10.0 111.494 172.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.62 -33.98 77.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.342 0.657 . . . . 10.0 112.54 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -57.16 -61.4 2.49 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.208 1.403 . . . . 10.0 112.238 172.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -49.95 -46.15 52.04 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -64.51 -41.62 96.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.35 -0.844 . . . . 10.0 112.338 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.87 -44.35 93.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.541 1.136 . . . . 10.0 112.245 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -54.41 -54.5 39.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.733 0.697 . . . . 10.0 110.793 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.87 76.56 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.037 0.755 . . . . 10.0 113.037 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.71 -46.14 69.72 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.911 -1.118 . . . . 10.0 112.612 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -26.78 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.804 -1.185 . . . . 10.0 112.239 175.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.57 -46.93 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 10.0 110.596 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -57.46 -44.66 84.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.357 0.663 . . . . 10.0 111.882 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -54.15 -59.44 4.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.724 1.209 . . . . 10.0 112.02 172.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.93 -44.49 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.018 1.327 . . . . 10.0 111.293 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.99 -60.39 2.88 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.241 0.617 . . . . 10.0 111.381 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -34.85 78.23 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.024 1.12 . . . . 10.0 114.024 -169.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.38 -31.8 73.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.22 0.608 . . . . 10.0 111.992 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.7 mp -87.03 -37.13 17.76 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.33 -47.6 69.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.503 1.502 . . . . 10.0 113.62 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -9.73 54.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.42 -1.425 . . . . 10.0 114.176 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -102.47 -5.74 23.71 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.896 1.678 . . . . 10.0 112.815 172.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? . . . . . 0 N--CA 1.483 1.196 0 C-N-CA 126.887 2.075 . . . . 10.0 113.875 -173.483 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 16.4 mm . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.8 tp -116.71 100.59 53.5 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 125.576 1.55 . . . . 10.0 111.454 -169.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.6 146.72 14.46 Favored 'Trans proline' 0 C--N 1.353 0.794 1 C-N-CA 125.984 4.456 . . . . 10.0 114.77 173.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 61.7 p -61.24 -38.72 87.67 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.989 1.478 . . . . 10.0 114.989 -174.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.34 -40.0 85.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.354 -0.841 . . . . 10.0 112.505 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.46 -42.47 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.585 0.754 . . . . 10.0 109.252 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 56.1 ttm -51.14 -56.22 13.82 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.563 1.145 . . . . 10.0 110.832 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -53.25 -42.09 66.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.17 -43.14 99.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.306 0.642 . . . . 10.0 112.495 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.29 -42.37 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.698 -0.626 . . . . 10.0 111.296 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.37 -44.87 95.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.503 1.047 . . . . 10.0 112.767 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.74 85.85 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.799 0.84 . . . . 10.0 113.092 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -80.09 -40.09 28.27 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.585 1.698 . . . . 10.0 115.585 -175.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 121.499 3.888 . . . . 10.0 121.499 -169.315 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -51.97 -51.48 56.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.479 1.112 . . . . 10.0 112.491 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.84 -39.02 90.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.308 1.443 . . . . 10.0 112.752 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.78 -49.52 72.6 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.65 0.78 . . . . 10.0 110.66 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.54 -28.15 69.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.063 2.145 . . . . 10.0 113.675 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 28.1 mt -48.18 -36.46 13.68 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.238 1.415 . . . . 10.0 114.384 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.07 -27.31 63.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 55.4 ttm -74.37 -41.12 61.53 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.325 1.42 . . . . 10.0 110.863 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 21.5 m -55.1 -19.94 8.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.934 1.694 . . . . 10.0 113.198 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 63.5 m -50.65 -46.84 58.68 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.182 . . . . 10.0 112.78 170.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 N--CA 1.468 0.475 0 CA-C-N 118.963 0.801 . . . . 10.0 111.691 177.85 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.113 0 N-CA-C 114.053 0.381 . . . . 10.0 114.053 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -131.01 -4.89 3.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.957 1.466 . . . . 10.0 114.957 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -69.25 -20.76 63.94 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.798 0.839 . . . . 10.0 112.735 -172.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.56 -16.4 60.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.883 1.273 . . . . 10.0 114.426 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.96 12.4 28.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.988 1.315 . . . . 10.0 112.947 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.68 150.53 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.968 1.707 . . . . 10.0 110.803 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 44.1 p -134.48 161.73 34.22 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.633 1.573 . . . . 10.0 110.728 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.55 -34.17 72.34 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.495 -0.753 . . . . 10.0 112.081 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.15 -33.89 72.35 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.48 -0.763 . . . . 10.0 112.524 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.44 -49.71 74.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.362 0.665 . . . . 10.0 111.18 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -55.86 -48.03 76.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.566 0.746 . . . . 10.0 111.351 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -57.87 -52.21 66.4 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.31 1.044 . . . . 10.0 113.15 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -70.35 -40.75 73.9 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.118 0.567 . . . . 10.0 111.97 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.88 -45.88 91.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.527 0.603 . . . . 10.0 111.495 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.11 -49.31 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.426 0.69 . . . . 10.0 111.557 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -59.94 -44.15 94.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.301 0.955 . . . . 10.0 112.139 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -66.15 -35.0 79.32 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.557 -0.714 . . . . 10.0 112.565 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -50.37 73.27 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.793 0.837 . . . . 10.0 111.368 169.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.84 -46.4 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.913 1.285 . . . . 10.0 112.17 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -63.29 -41.65 99.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.611 0.765 . . . . 10.0 112.939 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.82 84.94 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.634 -0.667 . . . . 10.0 112.523 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.15 -52.24 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.008 0.923 . . . . 10.0 110.428 175.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . 0.411 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 2.0 t80 -141.0 103.5 6.2 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.941 0.896 . . . . 10.0 110.517 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -58.51 -8.34 5.3 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.927 3.751 . . . . 10.0 117.621 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 22.3 m 69.26 133.04 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 128.078 2.551 . . . . 10.0 113.356 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.411 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 87.8 Cg_endo -87.31 -30.39 0.3 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.88 3.053 . . . . 10.0 113.112 -175.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -157.15 157.33 30.43 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.248 1.819 . . . . 10.0 111.636 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -71.27 -1.06 9.05 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.136 2.557 . . . . 10.0 115.68 -174.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -100.7 -28.25 12.94 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.71 1.141 . . . . 10.0 112.166 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.21 71.91 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.549 1.068 . . . . 10.0 113.277 173.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.97 -9.76 56.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.284 1.587 . . . . 10.0 115.284 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -86.93 -10.28 53.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.957 0.903 . . . . 10.0 113.24 170.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.56 146.87 51.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.636 0.774 . . . . 10.0 112.692 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -38.3 45.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.877 1.671 . . . . 10.0 113.057 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -67.29 -29.87 69.58 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 8.9 tpt -76.46 -32.62 58.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.611 1.096 . . . . 10.0 111.653 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.12 -34.59 76.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.673 -1.267 . . . . 10.0 111.611 169.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -65.98 -42.13 90.23 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.402 -0.812 . . . . 10.0 112.3 169.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -52.56 64.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.128 0.971 . . . . 10.0 110.453 173.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 13.4 t -53.52 -44.87 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.534 1.934 . . . . 10.0 112.436 174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.19 78.92 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.449 1.099 . . . . 10.0 112.742 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . 0.439 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.12 -45.63 92.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 10.0 111.204 172.074 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.518 0.727 . . . . 10.0 111.692 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.76 -45.06 91.54 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.911 0.778 . . . . 10.0 113.095 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.94 -44.35 94.41 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.638 1.175 . . . . 10.0 112.017 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.07 -40.18 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 118.715 -0.659 . . . . 10.0 111.872 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -39.8 68.26 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.226 1.376 . . . . 10.0 111.822 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.01 76.65 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.153 0.882 . . . . 10.0 113.976 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.22 -33.94 61.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.98 1.39 . . . . 10.0 111.478 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 19.0 mmt -68.54 -38.27 80.68 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.682 0.793 . . . . 10.0 110.792 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -66.14 -48.97 69.04 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.124 1.37 . . . . 10.0 112.591 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.94 -21.02 63.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p -97.72 -30.19 12.95 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.299 1.222 . . . . 10.0 114.299 -175.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.31 143.07 57.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.274 1.029 . . . . 10.0 113.149 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -82.05 -21.36 36.95 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.507 1.123 . . . . 10.0 113.163 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.4 p -142.27 162.21 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.472 1.509 . . . . 10.0 112.61 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.9 ttp-105 -60.2 -37.48 80.37 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.114 0.965 . . . . 10.0 112.47 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.39 -42.74 95.97 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.648 1.179 . . . . 10.0 112.839 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.67 -39.22 84.5 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.239 -0.913 . . . . 10.0 111.93 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.44 -54.74 43.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.354 1.062 . . . . 10.0 111.592 172.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -50.65 -46.25 58.34 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.22 1.008 . . . . 10.0 112.845 170.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -61.65 -42.95 99.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.377 0.99 . . . . 10.0 112.143 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.67 -42.07 99.42 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.064 0.946 . . . . 10.0 112.407 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.0 -45.27 95.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.581 -0.699 . . . . 10.0 112.187 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.55 64.04 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.699 -0.626 . . . . 10.0 112.511 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.049 -1.032 . . . . 10.0 111.219 169.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.26 -41.88 99.1 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.264 -0.874 . . . . 10.0 112.572 173.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 6.9 mm -53.39 -57.32 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.178 0.899 . . . . 10.0 109.037 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -59.21 -57.35 13.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.442 1.097 . . . . 10.0 111.739 -170.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.3 tmtt? -55.32 -51.79 65.58 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.855 0.862 . . . . 10.0 112.26 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.85 -40.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 122.879 0.472 . . . . 10.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.33 -57.5 6.51 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.611 -0.681 . . . . 10.0 112.108 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -67.3 -25.08 65.86 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.84 -59.46 3.85 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.808 0.731 . . . . 10.0 110.621 169.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.46 -42.71 83.06 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.963 0.905 . . . . 10.0 113.091 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -59.34 -18.81 41.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.09 -32.53 6.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.337 1.055 . . . . 10.0 112.709 172.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' B' ' 667' ' ' LYS . 0.0 OUTLIER -68.42 -30.46 69.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.056 -1.028 . . . . 10.0 112.892 -178.079 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 . . . . . 0 N--CA 1.483 1.193 0 C-N-CA 124.257 1.023 . . . . 10.0 111.914 169.375 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 118.33 -0.843 . . . . 10.0 113.267 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.9 tp -134.16 84.57 41.79 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.33 1.452 . . . . 10.0 110.047 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . 0.439 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 45.7 Cg_exo -43.05 134.15 5.81 Favored 'Trans proline' 0 C--N 1.351 0.706 1 C-N-CA 126.445 4.763 . . . . 10.0 114.171 171.691 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 58.2 p -61.57 -36.5 80.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.558 1.318 . . . . 10.0 114.558 -174.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.58 -38.49 91.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.852 0.861 . . . . 10.0 112.4 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.34 -46.94 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 123.476 0.711 . . . . 10.0 109.867 169.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 20.9 ttt -57.45 -48.78 78.24 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.632 0.651 . . . . 10.0 112.426 -173.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.02 -43.05 86.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.247 0.619 . . . . 10.0 112.397 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.47 -46.6 89.35 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.911 0.885 . . . . 10.0 111.84 171.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.307 -0.871 . . . . 10.0 112.274 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.27 -43.09 71.21 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.527 1.512 . . . . 10.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.93 -27.38 67.44 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -175.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.11 -47.71 60.63 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.54 1.681 . . . . 10.0 115.54 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 117.98 2.585 . . . . 10.0 117.98 -169.561 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.0 tptm . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 112.189 0.441 . . . . 10.0 112.189 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.48 -46.66 83.47 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.982 0.913 . . . . 10.0 112.675 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.54 -43.49 93.47 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.419 1.088 . . . . 10.0 111.874 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.34 -45.06 77.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.601 0.76 . . . . 10.0 111.828 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 51.0 tp -72.99 -28.04 62.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.669 1.587 . . . . 10.0 113.785 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.49 -45.28 66.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.832 1.253 . . . . 10.0 112.843 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.72 -56.15 17.86 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.852 0.861 . . . . 10.0 111.377 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.16 -25.4 65.5 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 70.2 m -65.6 -19.73 66.03 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.75 1.389 . . . . 10.0 114.75 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 49.8 m -54.75 -42.35 71.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -177.116 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 N-CA-C 114.721 0.648 . . . . 10.0 114.721 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -62.37 -15.58 49.43 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.795 1.238 . . . . 10.0 114.177 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -57.88 -26.41 62.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.999 1.72 . . . . 10.0 112.568 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.26 -22.23 64.64 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.101 1.36 . . . . 10.0 113.958 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -81.66 -2.29 49.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 90.5 t -117.57 151.63 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.304 1.441 . . . . 10.0 111.5 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.0 p -130.84 158.64 39.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.909 1.684 . . . . 10.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.05 -31.16 68.61 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.619 -0.676 . . . . 10.0 112.582 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.2 -41.55 94.42 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.508 -0.745 . . . . 10.0 112.342 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.75 -52.6 62.58 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 119.186 -0.435 . . . . 10.0 110.744 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -52.31 -46.61 66.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.721 0.808 . . . . 10.0 112.097 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -50.55 73.51 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.542 1.137 . . . . 10.0 112.555 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -67.15 -41.14 86.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.013 0.525 . . . . 10.0 111.654 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.07 -40.43 96.24 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.228 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.9 t -58.7 -49.38 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.056 1.298 . . . . 10.0 111.259 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -59.41 -41.24 89.0 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.883 0.765 . . . . 10.0 112.251 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -70.1 -30.08 67.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.1 0.96 . . . . 10.0 113.279 176.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.7 tp -62.69 -52.87 61.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.062 0.945 . . . . 10.0 109.059 169.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.03 -49.66 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.317 1.447 . . . . 10.0 112.82 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -63.75 -32.11 73.5 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -175.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -83.5 -24.25 31.8 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.477 1.035 . . . . 10.0 112.849 176.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.58 -51.47 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 123.645 0.778 . . . . 10.0 109.789 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -144.83 114.63 5.07 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.688 0.795 . . . . 10.0 110.364 171.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -57.51 -11.09 7.97 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.375 3.383 . . . . 10.0 117.024 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 77.11 148.07 0.12 Allowed Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 127.986 2.514 . . . . 10.0 112.265 -172.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.45 -41.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.001 2.468 . . . . 10.0 112.144 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -157.18 154.7 26.6 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 128.694 2.798 . . . . 10.0 108.558 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.82 -18.96 31.63 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.731 2.288 . . . . 10.0 113.992 -170.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.98 70.16 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.509 -0.744 . . . . 10.0 112.886 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.84 75.13 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.476 -0.765 . . . . 10.0 112.681 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.24 -18.79 17.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.444 1.498 . . . . 10.0 114.322 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -119.01 17.01 13.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.035 1.734 . . . . 10.0 113.702 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.0 143.28 32.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.214 1.406 . . . . 10.0 111.053 174.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -48.19 -37.12 15.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.225 1.565 . . . . 10.0 115.225 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -41.28 75.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.678 1.191 . . . . 10.0 112.093 176.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.1 tpt -84.67 -32.19 23.75 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.304 0.642 . . . . 10.0 112.363 176.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.36 -32.95 69.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.821 1.191 . . . . 10.0 113.142 171.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -64.82 -42.38 95.02 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.547 -0.72 . . . . 10.0 112.446 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.12 -44.75 87.7 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.456 0.703 . . . . 10.0 111.611 173.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 26.6 t -55.82 -44.8 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.774 1.63 . . . . 10.0 112.094 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.15 92.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.374 1.07 . . . . 10.0 112.366 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . 0.446 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.8 OUTLIER -60.24 -45.4 93.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.972 0.909 . . . . 10.0 111.93 170.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.49 95.16 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.174 -0.954 . . . . 10.0 111.892 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.07 -43.03 99.51 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 119.199 0.909 . . . . 10.0 112.446 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.16 -46.88 88.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.429 1.092 . . . . 10.0 111.988 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.41 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 10.0 110.958 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -56.44 -44.47 80.5 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.926 0.89 . . . . 10.0 112.362 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.14 -31.81 80.4 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.004 0.812 . . . . 10.0 114.083 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.28 -37.16 61.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.558 1.179 . . . . 10.0 111.635 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.3 mmt -68.83 -39.63 79.89 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.156 0.982 . . . . 10.0 111.184 174.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -59.4 -48.76 80.39 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.271 1.429 . . . . 10.0 112.531 171.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.48 -28.47 69.23 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.4 m -79.98 -30.36 39.72 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.73 136.85 40.33 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.609 1.337 . . . . 10.0 114.609 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.29 -23.33 62.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.674 1.589 . . . . 10.0 113.739 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.8 p -154.46 166.16 34.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.837 1.255 . . . . 10.0 112.907 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -40.52 66.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.338 1.455 . . . . 10.0 112.846 171.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -43.18 70.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.44 0.696 . . . . 10.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.91 -35.93 81.97 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.725 -0.609 . . . . 10.0 112.062 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -59.02 -56.85 16.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.896 1.278 . . . . 10.0 112.035 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.3 -44.98 65.36 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -59.7 -44.53 93.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.62 0.646 . . . . 10.0 111.839 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.45 -44.62 95.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.404 1.082 . . . . 10.0 112.594 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 40.9 mt -59.65 -54.78 42.44 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.721 0.691 . . . . 10.0 111.334 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.8 76.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.083 0.953 . . . . 10.0 112.918 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.14 -44.86 82.98 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.182 -0.949 . . . . 10.0 112.32 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -73.69 -27.94 61.48 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.142 0.883 . . . . 10.0 112.147 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.85 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.14 0.976 . . . . 10.0 110.122 168.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -56.88 -49.46 75.46 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.998 0.919 . . . . 10.0 111.138 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -52.41 -54.75 28.0 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.693 1.133 . . . . 10.0 112.935 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 66.3 mt -56.17 -43.73 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.019 0.928 . . . . 10.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -74.81 -48.85 23.1 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.897 -0.502 . . . . 10.0 112.259 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -61.77 -30.22 70.65 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.35 1.86 . . . . 10.0 113.1 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.28 -53.74 10.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.491 0.716 . . . . 10.0 111.608 171.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.41 -36.76 84.81 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.78 1.03 . . . . 10.0 113.78 -175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.21 -10.38 10.5 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.725 1.38 . . . . 10.0 114.725 173.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -109.47 -45.1 3.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.798 1.239 . . . . 10.0 111.813 172.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.05 -6.49 6.45 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.984 1.476 . . . . 10.0 114.984 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 N--CA 1.483 1.188 0 C-N-CA 126.152 1.781 . . . . 10.0 113.341 171.188 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 22.6 mt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.682 0.277 . . . . 10.0 111.705 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.6 tp -130.92 78.95 72.59 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 127.288 2.235 . . . . 10.0 107.94 169.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . 0.446 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 46.7 Cg_exo -45.31 137.0 11.01 Favored 'Trans proline' 0 C--N 1.353 0.782 1 C-N-CA 126.135 4.557 . . . . 10.0 114.256 177.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -36.63 65.85 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -172.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.54 -37.3 84.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.861 0.865 . . . . 10.0 113.259 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.14 -41.95 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.036 0.535 . . . . 10.0 109.828 170.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.44 -48.66 68.61 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.471 0.708 . . . . 10.0 111.884 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.86 -40.34 69.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.041 0.937 . . . . 10.0 113.25 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -62.53 -52.53 63.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.741 0.817 . . . . 10.0 111.033 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.9 t -55.2 -43.81 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.012 0.823 . . . . 10.0 111.847 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.0 -41.67 95.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.493 0.717 . . . . 10.0 112.747 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -69.29 -39.24 78.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.009 0.924 . . . . 10.0 112.615 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.65 -51.64 53.97 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 62.1 p . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 116.249 1.944 . . . . 10.0 116.249 -169.595 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.8 tptt . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 119.35 -0.357 . . . . 10.0 111.601 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.92 -47.41 77.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.32 1.448 . . . . 10.0 112.724 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.11 -43.04 99.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.441 1.096 . . . . 10.0 112.061 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.48 -46.39 76.49 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.398 0.679 . . . . 10.0 111.134 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.55 -24.7 67.92 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.697 2.399 . . . . 10.0 113.838 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.83 -35.28 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.66 -25.63 53.94 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.891 0.768 . . . . 10.0 112.77 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -79.4 -35.52 40.56 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.946 -1.096 . . . . 10.0 110.892 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 56.5 m -52.31 -30.66 29.35 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.106 1.762 . . . . 10.0 112.651 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 53.9 m -45.97 -40.66 10.69 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.019 1.728 . . . . 10.0 113.806 171.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 CA--C 1.541 0.629 0 O-C-N 121.167 -0.958 . . . . 10.0 113.167 179.378 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.155 0 N-CA-C 115.486 0.954 . . . . 10.0 115.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -60.54 -22.19 63.37 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.239 1.2 . . . . 10.0 114.239 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -53.44 -31.5 45.67 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.519 1.928 . . . . 10.0 113.771 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.71 -12.25 60.12 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.933 1.293 . . . . 10.0 114.086 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -95.14 9.95 37.71 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.137 1.375 . . . . 10.0 113.841 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.79 107.32 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.048 1.339 . . . . 10.0 109.419 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.9 p -71.14 159.12 35.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.849 0.86 . . . . 10.0 111.992 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.1 -32.84 72.51 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.662 -0.649 . . . . 10.0 112.077 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.65 -46.0 84.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.032 0.933 . . . . 10.0 111.886 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.03 -47.39 86.06 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.343 0.657 . . . . 10.0 110.821 174.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -54.71 -51.31 65.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.73 1.212 . . . . 10.0 112.62 175.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.6 m -59.12 -50.68 73.14 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.279 1.032 . . . . 10.0 112.01 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -69.3 -43.32 74.03 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.813 -0.613 . . . . 10.0 111.558 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.65 -40.89 96.5 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.803 1.183 . . . . 10.0 112.811 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.61 -50.12 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 119.457 1.026 . . . . 10.0 110.778 171.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.34 -42.03 99.06 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.856 0.753 . . . . 10.0 112.836 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -58.26 -44.37 88.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.747 1.219 . . . . 10.0 111.432 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -49.58 76.57 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.519 0.728 . . . . 10.0 111.318 175.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.67 -45.68 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.935 0.894 . . . . 10.0 112.067 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -68.05 -38.44 82.48 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.36 -25.03 63.98 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.128 0.876 . . . . 10.0 113.293 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mt -73.04 -52.51 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.77 0.714 . . . . 10.0 109.388 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.38 106.74 5.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.351 1.06 . . . . 10.0 111.646 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.54 93.48 0.25 Allowed 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 124.059 3.173 . . . . 10.0 110.522 169.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 2.8 p -56.24 139.11 73.4 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 10.0 113.315 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.58 -29.53 19.84 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.902 2.401 . . . . 10.0 113.547 -172.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.77 167.78 13.79 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.924 1.69 . . . . 10.0 111.744 -173.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.12 -17.22 31.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.558 2.172 . . . . 10.0 114.744 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.73 -35.91 57.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.269 1.395 . . . . 10.0 111.81 169.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.79 69.52 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.754 1.02 . . . . 10.0 113.754 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 61.5 mt -51.62 -25.24 6.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.989 1.716 . . . . 10.0 114.373 171.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -125.57 17.77 8.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.891 1.676 . . . . 10.0 113.529 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.33 146.95 37.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.329 0.652 . . . . 10.0 110.622 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -29.33 20.37 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -90.34 -28.04 18.99 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.134 0.974 . . . . 10.0 112.923 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.49 -39.58 88.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.295 0.952 . . . . 10.0 111.923 171.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -56.9 -39.06 73.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 10.0 112.462 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.27 -39.8 82.05 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.577 -0.702 . . . . 10.0 111.902 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.85 -47.64 84.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.632 0.773 . . . . 10.0 111.543 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 9.9 t -54.72 -43.66 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.847 1.659 . . . . 10.0 111.922 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.14 74.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.607 1.163 . . . . 10.0 112.908 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.24 -44.37 97.36 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.532 -0.73 . . . . 10.0 111.121 173.522 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.01 89.39 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.755 0.822 . . . . 10.0 111.642 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.6 -43.81 93.6 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.904 0.774 . . . . 10.0 112.801 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.21 -50.9 69.95 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.562 1.145 . . . . 10.0 112.27 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.73 -32.03 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 118.865 -0.588 . . . . 10.0 112.101 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.54 -42.6 71.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.89 1.223 . . . . 10.0 111.332 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -69.95 -31.57 69.77 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.398 0.999 . . . . 10.0 114.481 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.33 -41.38 69.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.714 1.257 . . . . 10.0 111.571 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.4 mmt -66.84 -40.14 87.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.666 1.186 . . . . 10.0 111.56 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.17 -49.3 78.38 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.22 1.408 . . . . 10.0 112.606 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.5 -30.66 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.375 -0.828 . . . . 10.0 112.834 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.0 m -81.76 -17.36 47.98 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 -174.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.31 142.68 27.71 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.071 0.948 . . . . 10.0 113.272 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -89.18 -4.78 58.12 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.615 1.166 . . . . 10.0 113.958 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 53.7 p -151.94 163.39 39.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.13 1.372 . . . . 10.0 112.229 173.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -61.49 -39.96 92.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.099 0.96 . . . . 10.0 112.674 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.33 -42.29 96.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.778 0.831 . . . . 10.0 112.078 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.36 -36.79 83.79 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.593 -0.692 . . . . 10.0 112.249 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -54.88 42.0 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.797 0.839 . . . . 10.0 111.719 172.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -53.63 -44.59 69.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.247 0.476 . . . . 10.0 112.177 171.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.87 -40.94 99.04 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.425 -0.797 . . . . 10.0 112.361 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.52 -42.24 98.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.084 0.954 . . . . 10.0 112.271 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.9 -48.53 81.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.463 0.574 . . . . 10.0 111.754 173.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.15 -28.53 61.36 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.59 -42.32 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.913 -1.117 . . . . 10.0 111.602 170.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -60.36 -33.84 73.01 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.063 0.847 . . . . 10.0 112.105 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 14.1 mm -68.22 -46.41 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.257 0.935 . . . . 10.0 112.679 173.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -58.47 -48.56 80.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.012 0.824 . . . . 10.0 110.807 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -47.89 -57.98 4.98 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.058 1.743 . . . . 10.0 112.531 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.34 -56.09 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.462 0.705 . . . . 10.0 111.201 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.27 -36.52 69.02 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -66.35 -43.21 86.67 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.822 1.192 . . . . 10.0 112.005 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.51 -41.15 80.37 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.069 0.548 . . . . 10.0 111.893 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.59 -44.64 85.99 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.43 -37.29 72.55 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.543 1.065 . . . . 10.0 112.349 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.32 -42.92 87.81 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.929 -1.107 . . . . 10.0 112.704 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -74.23 -8.22 55.43 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.894 1.278 . . . . 10.0 113.874 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 N--CA 1.483 1.187 0 C-N-CA 125.723 1.609 . . . . 10.0 113.152 179.688 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 11.2 mt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.62 115.38 21.78 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.402 1.481 . . . . 10.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 72.4 Cg_exo -51.79 135.8 50.24 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.657 3.571 . . . . 10.0 112.22 172.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.0 p -63.62 -36.7 84.69 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.745 1.017 . . . . 10.0 113.745 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -70.53 -25.34 63.08 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.671 1.188 . . . . 10.0 113.299 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 47.3 mm -80.0 -41.27 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.132 0.973 . . . . 10.0 110.976 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.5 ttt -52.5 -45.92 66.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.775 0.83 . . . . 10.0 111.343 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.16 -45.16 64.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.332 1.053 . . . . 10.0 113.324 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.15 -46.86 79.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.638 0.775 . . . . 10.0 111.513 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.2 -39.18 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.777 0.831 . . . . 10.0 111.425 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.43 -44.73 82.06 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.288 0.949 . . . . 10.0 112.222 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.02 -27.46 57.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.302 1.223 . . . . 10.0 114.302 -173.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.46 -41.47 63.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 115.206 1.558 . . . . 10.0 115.206 -173.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 115.819 1.785 . . . . 10.0 115.819 -171.499 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.76 -52.33 62.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.444 1.498 . . . . 10.0 112.609 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.94 -38.46 82.88 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.76 -0.587 . . . . 10.0 112.277 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.45 -43.27 94.79 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.453 -0.78 . . . . 10.0 111.743 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.8 -32.08 73.61 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.361 1.464 . . . . 10.0 113.362 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.48 -34.75 69.36 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.848 0.859 . . . . 10.0 113.025 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.13 -55.53 5.04 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.574 0.75 . . . . 10.0 111.011 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.6 mtm -56.72 -32.64 65.72 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -171.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 45.4 m -68.6 -20.02 64.48 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -57.69 -33.61 68.55 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.155 1.539 . . . . 10.0 115.155 -169.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.475 0.813 0 O-C-N 120.298 -1.502 . . . . 10.0 114.499 175.538 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.597 0 N-CA-C 114.497 0.559 . . . . 10.0 114.497 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -56.19 -20.35 17.61 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.98 -22.32 48.74 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.725 1.21 . . . . 10.0 112.97 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -20.35 55.53 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.007 1.323 . . . . 10.0 114.148 173.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -91.09 4.23 52.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 10.0 113.691 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 17.4 t -113.94 153.06 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.679 1.591 . . . . 10.0 111.031 -173.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 63.8 p -132.5 157.3 44.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.703 1.601 . . . . 10.0 110.511 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -59.49 -34.88 73.14 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.456 -0.777 . . . . 10.0 112.142 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -61.88 -40.19 94.56 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.582 -0.699 . . . . 10.0 112.225 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.79 -43.58 88.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.59 -0.719 . . . . 10.0 111.659 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -55.17 -50.04 70.33 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.462 1.028 . . . . 10.0 111.83 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.4 m -56.85 -49.12 76.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.461 1.105 . . . . 10.0 112.639 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -70.43 -37.19 74.36 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.767 -0.635 . . . . 10.0 111.84 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.52 -35.91 82.49 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.742 1.61 . . . . 10.0 112.255 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.4 t -59.38 -48.05 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.037 1.29 . . . . 10.0 109.86 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.15 -47.76 77.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.629 0.772 . . . . 10.0 112.57 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.1 87.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.878 1.271 . . . . 10.0 111.782 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -59.04 5.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.417 1.087 . . . . 10.0 109.345 169.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.02 -44.28 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.927 1.291 . . . . 10.0 112.976 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -58.65 -41.12 85.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.8 0.84 . . . . 10.0 112.936 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.48 -40.26 43.63 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.318 0.647 . . . . 10.0 112.462 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.14 -46.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.943 1.297 . . . . 10.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -141.36 101.43 6.16 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 123.635 0.774 . . . . 10.0 110.25 170.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.47 95.96 0.72 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.077 2.518 . . . . 10.0 109.027 169.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.7 p -54.18 148.69 21.64 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.983 1.713 . . . . 10.0 114.871 -171.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.66 -26.31 19.72 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.302 2.668 . . . . 10.0 113.236 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -161.36 150.21 13.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 126.811 2.044 . . . . 10.0 109.218 -170.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -67.48 -13.71 40.02 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.263 1.975 . . . . 10.0 114.291 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.87 -30.4 61.31 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.647 1.112 . . . . 10.0 111.957 169.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.69 67.85 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.173 -0.954 . . . . 10.0 112.805 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.0 -23.75 48.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.279 1.432 . . . . 10.0 113.803 170.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -104.18 -7.24 20.28 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.069 1.347 . . . . 10.0 114.31 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.25 150.07 49.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.736 0.814 . . . . 10.0 112.147 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -63.39 -27.3 69.21 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.739 -1.225 . . . . 10.0 112.451 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -67.47 -35.44 79.18 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.164 1.385 . . . . 10.0 111.829 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.1 tpt -74.05 -37.09 64.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 10.0 111.732 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.27 -36.86 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.815 -1.178 . . . . 10.0 113.231 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.26 -0.9 . . . . 10.0 111.941 170.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -38.41 86.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.761 0.825 . . . . 10.0 112.642 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -43.8 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.948 1.699 . . . . 10.0 111.586 171.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.65 88.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.043 0.937 . . . . 10.0 112.628 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -57.9 -45.48 86.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.496 1.118 . . . . 10.0 111.914 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.73 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.181 -0.949 . . . . 10.0 112.438 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.83 -44.27 94.15 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.317 0.962 . . . . 10.0 112.353 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -61.1 -46.07 92.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.185 0.994 . . . . 10.0 112.103 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.93 -52.36 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.4 0.546 . . . . 10.0 110.761 174.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -55.51 -45.16 77.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.969 0.804 . . . . 10.0 112.491 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.54 87.52 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.914 0.769 . . . . 10.0 114.178 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.65 -36.49 57.32 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.742 1.271 . . . . 10.0 111.939 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 32.9 mmt -68.35 -40.61 81.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.759 0.824 . . . . 10.0 110.814 175.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.41 -46.75 88.87 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.517 1.527 . . . . 10.0 112.955 172.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.58 -28.2 69.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.895 0.878 . . . . 10.0 112.728 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 67.7 m -87.34 -36.7 17.68 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.168 1.173 . . . . 10.0 114.168 -175.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.26 19.41 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.907 1.818 . . . . 10.0 115.907 -169.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -69.45 -22.81 63.62 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.066 1.746 . . . . 10.0 113.704 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 72.8 p -148.4 165.47 31.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.217 1.407 . . . . 10.0 112.998 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -57.14 -42.38 80.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.068 1.347 . . . . 10.0 112.364 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -43.75 87.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.117 0.967 . . . . 10.0 111.458 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.05 -34.56 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.841 -0.537 . . . . 10.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.1 -60.42 3.86 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.911 1.284 . . . . 10.0 112.096 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -51.32 -44.37 61.95 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 169.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.42 -42.6 99.56 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.023 0.829 . . . . 10.0 112.724 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.03 -44.43 89.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.613 1.165 . . . . 10.0 112.304 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.97 -53.94 50.84 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.2 0.6 . . . . 10.0 110.693 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -32.7 74.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.831 1.252 . . . . 10.0 113.353 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.22 -49.0 66.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.347 1.459 . . . . 10.0 112.226 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -63.16 -40.17 96.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.475 0.71 . . . . 10.0 110.888 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.01 -38.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 124.575 1.15 . . . . 10.0 111.228 169.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -42.9 64.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.655 1.116 . . . . 10.0 112.697 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -50.54 -57.6 7.75 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.627 0.649 . . . . 10.0 109.381 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.07 -53.52 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 O-C-N 123.748 0.655 . . . . 10.0 111.431 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.55 -50.11 75.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.223 -0.923 . . . . 10.0 113.114 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.11 -52.21 37.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.145 0.978 . . . . 10.0 112.642 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.54 -31.68 68.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.113 . . . . 10.0 112.828 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.23 -61.6 1.84 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.512 0.725 . . . . 10.0 110.589 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -50.35 74.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.347 1.059 . . . . 10.0 113.752 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.28 -8.68 57.06 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.828 0.851 . . . . 10.0 113.241 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -102.61 -28.15 12.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.188 1.395 . . . . 10.0 112.573 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 C-N-CA 124.246 1.018 . . . . 10.0 110.912 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.4 tp -124.99 82.18 61.72 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.642 1.977 . . . . 10.0 110.444 -170.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.07 143.05 33.04 Favored 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 125.725 4.283 . . . . 10.0 114.689 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 15.8 m -56.0 -42.2 76.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.058 1.503 . . . . 10.0 115.058 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.45 -39.58 81.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.307 0.643 . . . . 10.0 112.652 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -67.24 -45.79 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.192 0.997 . . . . 10.0 110.679 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 60.8 ttp -58.65 -52.48 65.52 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.482 1.113 . . . . 10.0 111.979 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.85 -41.36 74.19 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.792 0.837 . . . . 10.0 113.077 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -61.56 -44.56 96.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.242 0.617 . . . . 10.0 112.114 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.92 -42.24 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.544 -0.722 . . . . 10.0 111.519 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.06 -37.43 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.948 1.249 . . . . 10.0 112.556 177.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.07 -47.42 74.35 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.908 1.283 . . . . 10.0 112.093 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -80.06 -40.7 27.13 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.143 1.534 . . . . 10.0 115.143 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 117.76 2.504 . . . . 10.0 117.76 -173.759 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 64.3 tttp . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 119.315 -0.374 . . . . 10.0 111.728 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.74 -56.93 14.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.664 1.186 . . . . 10.0 112.263 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.71 -42.56 88.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.768 1.227 . . . . 10.0 111.978 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -64.51 -39.74 94.33 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.159 0.583 . . . . 10.0 111.808 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.91 -25.47 62.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.872 1.669 . . . . 10.0 113.981 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 25.1 mt -51.89 -37.0 50.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.863 1.211 . . . . 10.0 113.625 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.57 -58.18 3.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.317 1.047 . . . . 10.0 112.32 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 70.5 mtm -60.68 -26.64 67.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.655 1.354 . . . . 10.0 114.655 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 90.1 p -68.83 -19.9 64.28 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 174.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.7 m -60.01 -29.72 68.67 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 . . . . . 0 N--CA 1.475 0.776 0 O-C-N 120.391 -1.443 . . . . 10.0 114.197 173.087 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 N-CA-C 116.283 1.273 . . . . 10.0 116.283 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -68.49 -6.43 24.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.963 1.382 . . . . 10.0 114.248 172.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -57.07 -21.78 34.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.896 2.078 . . . . 10.0 114.558 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.41 -24.16 53.79 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.361 1.464 . . . . 10.0 114.077 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.43 -4.55 40.19 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 74.8 t -133.06 157.99 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.562 1.945 . . . . 10.0 110.409 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 12.2 t -147.11 159.48 43.56 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.992 1.317 . . . . 10.0 110.668 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -55.33 -39.3 69.81 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.502 -0.749 . . . . 10.0 112.481 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.16 -28.04 69.13 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.55 -52.19 28.6 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.342 0.657 . . . . 10.0 109.708 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.75 -38.35 81.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.675 1.19 . . . . 10.0 113.561 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.9 m -48.08 -45.32 32.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.709 0.804 . . . . 10.0 112.838 170.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -75.53 -41.36 55.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.472 0.709 . . . . 10.0 111.622 176.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.45 -34.57 77.06 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.155 1.343 . . . . 10.0 112.923 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.88 -48.82 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.188 0.995 . . . . 10.0 109.971 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -60.85 -38.25 84.87 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.905 0.775 . . . . 10.0 112.89 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.26 -46.04 91.18 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.976 1.31 . . . . 10.0 111.663 174.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.37 -53.38 58.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.536 1.134 . . . . 10.0 110.3 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.75 -40.57 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.863 1.265 . . . . 10.0 113.244 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.71 -36.13 83.3 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.022 1.283 . . . . 10.0 112.892 177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.03 73.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.197 0.453 . . . . 10.0 112.158 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 29.3 mt -69.55 -46.17 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.613 0.765 . . . . 10.0 111.452 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.9 104.56 5.26 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.189 0.995 . . . . 10.0 110.618 171.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.47 92.57 0.13 Allowed 'Trans proline' 0 CA--C 1.548 1.197 0 C-N-CA 124.303 3.335 . . . . 10.0 110.676 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.8 t -51.07 143.29 16.48 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 126.297 1.839 . . . . 10.0 114.858 -171.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.68 -25.96 4.09 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.216 2.611 . . . . 10.0 113.011 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -164.98 147.76 7.02 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.106 1.762 . . . . 10.0 110.333 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.33 -12.9 36.31 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.363 2.042 . . . . 10.0 114.322 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.61 -25.06 36.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.931 1.241 . . . . 10.0 112.201 169.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.51 -27.62 67.14 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.924 -1.11 . . . . 10.0 112.338 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.01 -19.47 12.77 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.396 1.478 . . . . 10.0 114.315 171.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -119.79 16.18 12.67 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.393 1.477 . . . . 10.0 114.022 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.18 148.72 43.69 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.628 -0.67 . . . . 10.0 110.95 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -31.59 64.13 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.703 1.201 . . . . 10.0 114.047 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -85.12 -29.32 24.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.69 -34.79 79.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.0 0.818 . . . . 10.0 111.038 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.13 -38.1 72.97 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.731 1.15 . . . . 10.0 113.086 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -66.97 -41.58 86.61 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.604 -0.685 . . . . 10.0 111.527 174.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.92 -45.79 92.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.663 1.185 . . . . 10.0 111.941 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 8.0 t -57.11 -46.43 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.463 1.505 . . . . 10.0 111.699 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.8 89.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.408 1.083 . . . . 10.0 112.613 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -58.97 -45.88 89.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.854 1.262 . . . . 10.0 111.886 171.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.9 89.18 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.959 0.904 . . . . 10.0 112.351 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.34 -44.03 97.45 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.093 0.861 . . . . 10.0 112.4 170.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -46.99 88.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.14 1.376 . . . . 10.0 111.738 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.69 -52.02 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.895 0.878 . . . . 10.0 110.689 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -54.75 -46.8 74.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.349 0.977 . . . . 10.0 111.944 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.99 -27.28 72.04 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.032 0.825 . . . . 10.0 114.418 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -82.09 -39.62 23.12 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.724 1.262 . . . . 10.0 111.348 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 16.9 mmt -65.36 -38.7 90.86 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.909 0.884 . . . . 10.0 111.331 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.34 -25.15 65.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.144 1.778 . . . . 10.0 113.723 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -99.21 -5.1 30.56 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.649 1.18 . . . . 10.0 113.046 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.3 m -107.58 11.46 28.62 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.276 1.431 . . . . 10.0 114.156 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.38 149.75 51.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.774 1.229 . . . . 10.0 113.038 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -5.55 45.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.021 1.328 . . . . 10.0 113.534 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 77.5 p -152.16 162.71 40.72 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.502 1.521 . . . . 10.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -56.0 -42.0 75.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.551 1.14 . . . . 10.0 111.996 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -43.4 95.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.344 1.058 . . . . 10.0 112.007 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.25 -38.57 85.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.618 -0.676 . . . . 10.0 112.071 173.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.3 -51.27 70.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.133 0.973 . . . . 10.0 112.315 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.31 75.62 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 170.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.79 -39.05 87.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.572 0.624 . . . . 10.0 112.388 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.94 -44.14 85.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.635 0.774 . . . . 10.0 112.52 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.33 -46.86 79.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.223 0.919 . . . . 10.0 111.045 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.39 73.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.352 1.061 . . . . 10.0 113.29 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.44 -42.13 99.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.462 -0.774 . . . . 10.0 111.492 171.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -35.25 72.69 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.503 175.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.15 -52.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.735 1.152 . . . . 10.0 109.071 168.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -56.37 -50.88 70.26 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.872 0.869 . . . . 10.0 111.739 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.0 tmpt? -56.01 -51.56 67.33 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.744 0.818 . . . . 10.0 112.086 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.99 -37.78 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.09 0.556 . . . . 10.0 110.491 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -65.18 -48.99 71.53 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.228 -0.92 . . . . 10.0 111.431 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . 0.487 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.2 mmpt? -64.92 -36.07 83.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.646 1.578 . . . . 10.0 112.564 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.44 -52.51 64.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 10.0 111.886 170.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.77 -41.26 86.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.826 1.194 . . . . 10.0 112.212 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -65.73 -0.46 2.16 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -125.67 -35.07 2.57 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 10.0 112.718 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.85 -13.48 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.53 1.532 . . . . 10.0 114.135 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 N--CA 1.483 1.204 0 C-N-CA 125.541 1.537 . . . . 10.0 113.448 171.548 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.3 mm . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 115.204 1.557 . . . . 10.0 115.204 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 24.8 tp -110.72 99.7 42.83 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.584 1.954 . . . . 10.0 111.953 -169.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -51.26 148.53 18.52 Favored 'Trans proline' 0 C--N 1.351 0.669 1 C-N-CA 125.785 4.323 . . . . 10.0 114.815 171.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -58.83 -36.26 74.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.4 -37.72 87.82 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.991 0.814 . . . . 10.0 112.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.4 mp -77.18 -44.8 30.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.708 0.803 . . . . 10.0 109.393 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 63.1 ttp -53.92 -51.08 64.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.732 0.696 . . . . 10.0 112.071 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.04 -43.11 66.37 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.084 1.354 . . . . 10.0 112.895 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.11 -46.38 67.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.791 0.837 . . . . 10.0 112.145 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.63 -36.73 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.71 1.204 . . . . 10.0 112.207 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.86 -46.17 79.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.387 0.994 . . . . 10.0 111.84 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -78.89 -45.29 20.92 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -170.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.88 -47.97 70.21 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 115.999 1.852 . . . . 10.0 115.999 -171.735 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 55.4 tttp . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.96 -52.82 64.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.963 1.305 . . . . 10.0 112.15 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.46 -34.76 79.04 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.613 0.642 . . . . 10.0 112.151 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.66 -43.22 97.36 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.267 -0.896 . . . . 10.0 112.363 171.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.46 -28.56 69.3 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.772 1.229 . . . . 10.0 112.812 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.96 -44.73 70.98 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.7 1.136 . . . . 10.0 112.054 173.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.88 -53.31 21.96 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.801 0.84 . . . . 10.0 111.728 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 19.4 ttp -64.32 -25.24 67.95 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -169.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.8 t -63.47 -19.78 65.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.016 1.727 . . . . 10.0 114.417 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 9.4 m -53.91 -33.4 56.54 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.449 -1.407 . . . . 10.0 114.117 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 CA--C 1.547 0.832 0 CA-C-N 119.351 0.978 . . . . 10.0 113.124 174.562 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.234 0 N-CA-C 116.116 1.206 . . . . 10.0 116.116 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -66.69 -13.74 61.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.359 1.615 . . . . 10.0 115.359 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -54.0 -29.31 42.76 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.898 1.679 . . . . 10.0 114.248 -169.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.02 -18.92 38.94 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.248 1.573 . . . . 10.0 115.248 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.8 -9.6 58.71 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.262 1.208 . . . . 10.0 114.262 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.01 152.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.236 1.414 . . . . 10.0 111.197 -174.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.4 t -150.38 161.75 41.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.811 1.645 . . . . 10.0 111.095 -177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -59.94 -29.86 68.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.82 -34.97 78.98 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.273 0.942 . . . . 10.0 112.486 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.53 -54.95 15.61 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.105 0.962 . . . . 10.0 110.093 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.1 -37.29 79.54 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.909 1.077 . . . . 10.0 113.909 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 75.3 m -49.48 -46.4 48.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.935 0.894 . . . . 10.0 112.486 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.54 -35.72 29.96 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.618 0.767 . . . . 10.0 112.604 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.43 -47.55 85.21 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.778 1.172 . . . . 10.0 111.701 176.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.15 -46.16 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.664 1.12 . . . . 10.0 110.713 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.99 -52.29 51.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.277 0.631 . . . . 10.0 111.939 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -72.44 -32.09 66.0 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 10.0 113.258 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -52.88 63.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.527 1.531 . . . . 10.0 108.933 169.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.83 -47.29 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.693 1.597 . . . . 10.0 112.737 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.78 -42.46 84.16 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.991 0.917 . . . . 10.0 112.452 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.83 62.52 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.66 -43.35 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.861 0.864 . . . . 10.0 111.573 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -141.44 96.01 7.11 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.079 0.552 . . . . 10.0 111.431 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -62.98 92.55 0.14 Allowed 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 124.309 3.339 . . . . 10.0 109.736 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.7 p -56.68 148.9 44.36 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 125.41 1.484 . . . . 10.0 114.318 -171.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.75 -29.18 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.991 2.461 . . . . 10.0 113.22 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -157.59 162.36 27.41 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 126.193 1.797 . . . . 10.0 111.316 -174.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.32 -5.56 17.35 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.9 2.4 . . . . 10.0 115.436 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.05 -31.03 15.72 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.947 1.249 . . . . 10.0 111.352 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.61 64.9 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.292 0.951 . . . . 10.0 113.125 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 27.1 mt -53.08 -28.43 25.07 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.492 1.517 . . . . 10.0 114.092 169.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.91 1.64 24.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.077 1.751 . . . . 10.0 113.091 -176.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -60.42 148.82 36.03 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.02 0.827 . . . . 10.0 112.47 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . 0.459 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 0.0 OUTLIER -47.67 -43.4 26.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.173 1.789 . . . . 10.0 113.362 178.097 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -79.29 -29.32 42.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.461 1.504 . . . . 10.0 112.108 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -67.62 -36.71 81.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.445 0.566 . . . . 10.0 111.562 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.38 -34.78 78.47 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.064 -1.022 . . . . 10.0 113.032 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -66.57 -40.75 89.15 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.27 -0.894 . . . . 10.0 111.956 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.6 tt -62.03 -44.78 95.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.164 0.986 . . . . 10.0 111.658 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.8 t -54.89 -45.54 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.804 1.642 . . . . 10.0 112.242 170.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.36 86.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.164 -0.96 . . . . 10.0 112.819 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . 0.49 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.71 -44.33 96.71 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.698 0.799 . . . . 10.0 111.407 170.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.44 97.77 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.602 -0.686 . . . . 10.0 112.26 173.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.23 -45.28 95.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.15 0.886 . . . . 10.0 112.713 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -47.73 84.61 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.858 1.263 . . . . 10.0 111.95 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.73 -36.61 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.551 -0.738 . . . . 10.0 112.321 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.02 -46.09 75.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.497 1.499 . . . . 10.0 112.169 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -67.1 -28.67 73.84 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.491 0.567 . . . . 10.0 114.324 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.18 -36.95 46.8 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.495 1.147 . . . . 10.0 111.801 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -68.67 -35.14 76.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.996 1.319 . . . . 10.0 111.237 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.82 -52.69 62.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.198 1.399 . . . . 10.0 111.958 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.06 -22.48 66.95 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.887 -1.133 . . . . 10.0 114.017 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.2 m -80.55 -4.68 54.9 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.515 1.302 . . . . 10.0 114.515 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -113.45 149.94 33.51 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.502 1.046 . . . . 10.0 113.453 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.57 -0.54 21.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.526 1.531 . . . . 10.0 113.357 175.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.5 p -151.68 160.13 43.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.216 1.406 . . . . 10.0 111.918 171.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.52 74.5 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.48 1.112 . . . . 10.0 112.755 172.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.22 -46.56 83.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.047 0.939 . . . . 10.0 111.917 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.48 -38.73 87.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.299 0.639 . . . . 10.0 112.219 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -57.4 -55.98 27.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 10.0 112.323 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -52.71 -45.79 67.05 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 170.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -62.14 -38.27 88.35 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.606 0.639 . . . . 10.0 112.213 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 55.1 mt -65.82 -44.09 86.63 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.046 0.839 . . . . 10.0 112.764 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 67.7 mt -58.01 -49.65 76.13 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.852 0.751 . . . . 10.0 110.958 171.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.17 67.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.627 1.171 . . . . 10.0 113.686 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.76 -48.35 69.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.95 -1.094 . . . . 10.0 111.629 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.57 -33.44 75.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.815 0.734 . . . . 10.0 112.327 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.2 mm -62.23 -46.78 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.761 1.224 . . . . 10.0 111.307 172.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.56 -42.46 87.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.117 -0.944 . . . . 10.0 110.924 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -50.79 -55.77 15.25 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.952 1.251 . . . . 10.0 111.933 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.69 -48.16 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.952 0.901 . . . . 10.0 111.197 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.58 -53.78 46.39 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.62 0.645 . . . . 10.0 112.148 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.64 -34.94 75.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.713 2.405 . . . . 10.0 113.174 -177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.26 -64.1 0.98 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.426 0.69 . . . . 10.0 111.873 170.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.25 -33.88 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -169.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.91 -12.02 22.35 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -108.95 -56.98 2.21 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.895 1.278 . . . . 10.0 110.907 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.45 -12.69 23.38 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 -174.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 125.041 1.337 . . . . 10.0 113.593 175.332 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.3 tp -132.67 83.8 52.37 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 129.104 2.962 . . . . 10.0 106.694 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . 0.49 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 12.5 Cg_exo -39.87 132.92 1.88 Allowed 'Trans proline' 0 C--N 1.35 0.65 1 C-N-CA 126.801 5.001 . . . . 10.0 114.492 177.529 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 49.1 p -52.05 -41.41 62.29 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.264 1.95 . . . . 10.0 116.264 -169.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.42 -34.03 76.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.443 -0.785 . . . . 10.0 112.811 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 2.0 mp -78.88 -41.13 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.7 0.8 . . . . 10.0 109.883 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 44.2 ttm -49.5 -54.22 19.08 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.537 1.135 . . . . 10.0 110.861 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.16 -39.24 66.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 10.0 113.556 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.66 -43.05 97.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.45 0.7 . . . . 10.0 112.1 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.68 -46.3 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.922 0.783 . . . . 10.0 111.598 174.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.27 -31.37 70.16 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.153 0.888 . . . . 10.0 112.927 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -78.62 -42.12 29.72 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.067 1.347 . . . . 10.0 112.744 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -79.98 -42.86 23.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.225 1.195 . . . . 10.0 114.225 -174.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 117.553 2.427 . . . . 10.0 117.553 -172.547 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 119.527 -0.273 . . . . 10.0 111.448 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.25 -47.65 80.84 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.943 1.297 . . . . 10.0 113.031 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.88 -46.53 90.24 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.076 0.853 . . . . 10.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.14 -40.31 85.1 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 121.406 0.622 . . . . 10.0 110.881 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.22 -20.1 63.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.033 2.133 . . . . 10.0 115.283 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.96 -38.71 86.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.938 1.699 . . . . 10.0 112.377 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.42 -33.01 70.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.28 0.632 . . . . 10.0 112.175 169.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -71.8 -36.58 70.33 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 10.0 111.183 -176.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 18.3 t -53.49 -28.4 30.73 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.262 1.425 . . . . 10.0 112.689 172.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 38.9 m -55.34 -45.8 76.41 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.105 0.962 . . . . 10.0 112.724 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.47 0.541 0 O-C-N 121.131 -0.981 . . . . 10.0 111.576 178.428 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.472 0 N-CA-C 114.439 0.536 . . . . 10.0 114.439 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -60.12 -13.64 13.0 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.328 1.603 . . . . 10.0 115.328 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -58.39 -21.73 51.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.292 1.437 . . . . 10.0 112.915 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.79 -21.03 64.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 172.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -87.63 3.66 46.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.792 1.237 . . . . 10.0 113.478 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 40.6 t -112.19 150.43 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.567 1.547 . . . . 10.0 111.673 -169.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 70.4 p -135.09 158.09 45.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.048 1.739 . . . . 10.0 110.8 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.26 -32.73 72.55 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.269 -0.894 . . . . 10.0 112.102 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.29 -43.06 99.5 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.137 0.975 . . . . 10.0 112.13 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.48 -46.49 88.22 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.313 0.645 . . . . 10.0 111.467 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -57.55 -48.96 77.89 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.806 0.73 . . . . 10.0 111.353 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 64.6 m -58.4 -50.12 74.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.036 . . . . 10.0 112.683 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -73.63 -36.71 65.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.876 0.47 . . . . 10.0 111.992 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.7 -40.54 95.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.657 1.117 . . . . 10.0 111.971 172.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.15 -44.23 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.585 1.084 . . . . 10.0 111.035 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.17 -46.69 82.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.132 0.878 . . . . 10.0 112.159 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -60.25 -43.46 96.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.355 1.062 . . . . 10.0 111.842 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -56.39 19.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.559 1.144 . . . . 10.0 110.543 170.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -47.28 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.015 1.326 . . . . 10.0 112.195 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -64.22 -36.92 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.584 0.629 . . . . 10.0 112.641 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.86 66.13 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 27.4 mt -67.7 -54.3 24.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 121.714 -0.616 . . . . 10.0 109.917 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -141.14 102.86 6.16 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.105 0.962 . . . . 10.0 110.048 173.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.52 101.54 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.052 2.501 . . . . 10.0 109.4 169.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.2 p -56.05 147.6 44.07 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.453 1.501 . . . . 10.0 114.321 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.34 -33.61 23.26 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 112.893 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -150.84 159.69 33.58 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.715 2.406 . . . . 10.0 109.116 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.16 -15.86 39.63 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.62 2.214 . . . . 10.0 113.328 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.06 -33.29 74.29 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.325 -0.86 . . . . 10.0 112.066 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.07 -26.53 66.78 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.396 -0.815 . . . . 10.0 113.033 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.96 -22.6 49.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.789 1.236 . . . . 10.0 113.377 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 3.42 26.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.322 1.849 . . . . 10.0 112.931 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.96 140.12 58.35 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.362 -0.836 . . . . 10.0 111.813 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -3.04 0.11 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.479 2.029 . . . . 10.0 116.479 177.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -116.96 -28.04 6.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.171 1.789 . . . . 10.0 112.906 174.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 15.6 tpt -62.17 -28.34 69.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.396 0.998 . . . . 10.0 112.091 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -55.54 -27.46 49.06 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -72.52 -40.07 67.07 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.388 0.994 . . . . 10.0 111.755 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.49 -46.55 85.63 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.271 1.428 . . . . 10.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.93 -45.23 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.798 1.639 . . . . 10.0 112.1 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.09 94.66 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.414 1.006 . . . . 10.0 112.255 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.33 -45.9 90.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.522 1.129 . . . . 10.0 111.849 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.79 98.14 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 10.0 111.945 174.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.16 -31.6 72.86 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.866 0.867 . . . . 10.0 113.168 173.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.8 -46.48 58.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.558 1.143 . . . . 10.0 111.923 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.21 -50.12 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.276 0.63 . . . . 10.0 109.981 171.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -47.32 -56.25 7.2 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.965 1.306 . . . . 10.0 112.426 173.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.8 -35.51 91.39 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 123.304 0.478 . . . . 10.0 113.872 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.11 -38.77 51.55 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.302 1.051 . . . . 10.0 111.845 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.4 mmt -68.43 -40.89 81.0 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.106 0.962 . . . . 10.0 111.011 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.28 -45.69 90.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.325 1.45 . . . . 10.0 112.924 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.2 -30.38 70.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.816 0.846 . . . . 10.0 112.679 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -78.58 -34.05 47.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.963 1.097 . . . . 10.0 113.963 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.91 131.6 41.62 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -77.0 -18.8 57.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.678 1.591 . . . . 10.0 113.786 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.7 p -145.97 162.98 36.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.297 1.439 . . . . 10.0 112.9 176.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -57.24 -44.52 83.91 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.796 1.239 . . . . 10.0 112.623 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.13 -44.05 95.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.418 1.087 . . . . 10.0 112.245 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.95 -38.14 85.59 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.63 -0.669 . . . . 10.0 112.316 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.82 -55.29 36.96 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.011 1.324 . . . . 10.0 111.918 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -50.0 -47.73 52.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.767 0.827 . . . . 10.0 112.211 169.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -65.3 -41.58 93.96 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.325 -0.859 . . . . 10.0 112.404 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.68 -38.94 92.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.609 1.164 . . . . 10.0 112.442 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.24 -48.81 78.29 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.845 0.748 . . . . 10.0 111.311 169.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.25 -28.77 69.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.43 -40.57 93.49 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.338 -0.851 . . . . 10.0 112.619 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -37.53 72.33 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.622 1.101 . . . . 10.0 111.985 174.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.2 mt -54.74 -54.22 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 118.738 0.699 . . . . 10.0 109.472 169.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -53.23 -56.09 19.26 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.969 0.908 . . . . 10.0 111.664 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -52.02 -58.39 6.67 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.032 0.933 . . . . 10.0 112.731 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.222 0.464 . . . . 10.0 110.127 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -69.02 -58.15 4.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.861 -0.524 . . . . 10.0 112.335 -175.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -70.07 -23.89 63.15 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.001 0.819 . . . . 10.0 113.176 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -68.64 -55.78 10.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.582 0.753 . . . . 10.0 111.727 170.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.43 -37.29 82.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.163 0.892 . . . . 10.0 112.692 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.48 1.97 1.04 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.089 1.514 . . . . 10.0 115.089 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -124.01 -42.7 2.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.451 1.5 . . . . 10.0 111.754 170.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -65.86 -9.96 33.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.029 1.732 . . . . 10.0 114.801 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? . . . . . 0 N--CA 1.483 1.216 0 C-N-CA 125.774 1.629 . . . . 10.0 113.94 176.538 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 13.6 mm . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 113.73 1.011 . . . . 10.0 113.73 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.93 90.42 48.59 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.183 1.793 . . . . 10.0 109.528 -169.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.25 139.42 27.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 125.178 3.919 . . . . 10.0 113.595 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.3 m -57.73 -33.68 68.7 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.565 1.32 . . . . 10.0 114.565 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.82 -38.26 73.24 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.53 -0.731 . . . . 10.0 112.811 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.96 -43.38 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.495 0.718 . . . . 10.0 109.378 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 53.7 ttm -50.94 -53.51 32.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.067 1.347 . . . . 10.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.42 -37.73 75.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -175.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.67 -38.43 90.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.197 0.599 . . . . 10.0 112.122 173.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.19 -49.09 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.941 0.791 . . . . 10.0 110.896 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.91 -32.4 72.79 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -71.63 -41.43 68.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.772 1.229 . . . . 10.0 113.243 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -80.15 -42.79 22.79 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.687 1.366 . . . . 10.0 114.687 -173.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 117.704 2.483 . . . . 10.0 117.704 -169.472 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.9 tptm . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.12 -53.8 54.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.476 1.511 . . . . 10.0 112.561 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.51 -30.67 69.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.226 0.611 . . . . 10.0 112.254 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -64.46 -44.0 92.47 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.669 -0.644 . . . . 10.0 112.063 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.3 tp -67.87 -24.5 65.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.759 1.624 . . . . 10.0 113.685 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 67.4 mt -51.73 -47.82 63.87 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.16 0.891 . . . . 10.0 112.595 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.21 -46.9 86.84 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.356 1.062 . . . . 10.0 111.663 177.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 57.4 mtt -59.53 -33.2 71.09 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.564 1.145 . . . . 10.0 113.099 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.1 t -61.79 -24.81 67.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.099 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 29.3 m -51.5 -34.02 34.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.839 1.656 . . . . 10.0 114.636 -174.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.445 0 N-CA-C 116.549 1.379 . . . . 10.0 116.549 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -141.55 -14.91 0.84 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.626 1.713 . . . . 10.0 115.626 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -68.37 -17.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.634 0.774 . . . . 10.0 112.734 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.72 -13.29 3.85 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.935 2.094 . . . . 10.0 116.073 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -127.37 5.56 6.31 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.882 1.438 . . . . 10.0 114.882 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.66 140.74 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.114 -0.991 . . . . 10.0 109.754 170.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 87.4 m -135.98 146.95 47.77 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.113 1.365 . . . . 10.0 110.408 -172.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -57.17 -34.65 68.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.334 1.053 . . . . 10.0 113.723 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.7 -42.4 99.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.577 0.751 . . . . 10.0 112.237 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.88 -50.09 70.16 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.774 0.829 . . . . 10.0 110.505 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.89 -49.43 65.9 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.073 1.349 . . . . 10.0 112.806 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 62.2 m -61.49 -51.2 69.65 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.728 1.211 . . . . 10.0 112.141 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -67.19 -41.56 85.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 119.058 -0.496 . . . . 10.0 111.586 -177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.75 -43.17 98.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.275 0.943 . . . . 10.0 112.659 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.72 -49.18 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.709 1.14 . . . . 10.0 111.197 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -58.49 -41.78 86.1 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.569 0.622 . . . . 10.0 112.161 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -68.41 -34.83 76.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.136 1.374 . . . . 10.0 112.885 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.22 -54.02 50.72 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.066 1.346 . . . . 10.0 108.789 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.55 -47.03 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.345 1.858 . . . . 10.0 113.022 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.87 -44.92 91.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.492 1.117 . . . . 10.0 112.601 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.24 77.05 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.3 -47.32 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.035 0.934 . . . . 10.0 111.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 612' ' ' PHE . . . . . 0.403 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 0.5 OUTLIER -133.03 99.27 15.1 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.237 0.615 . . . . 10.0 110.501 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.06 99.04 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 124.391 3.394 . . . . 10.0 110.22 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 81.8 p -47.08 151.39 1.19 Allowed Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 128.709 2.804 . . . . 10.0 116.792 -169.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.403 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 94.3 Cg_endo -79.34 -38.44 0.41 Allowed 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.558 2.839 . . . . 10.0 111.183 170.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -157.8 158.49 30.35 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 129.288 3.035 . . . . 10.0 108.377 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -70.48 -19.82 32.23 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.825 2.35 . . . . 10.0 112.461 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.23 66.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.89 1.276 . . . . 10.0 113.761 170.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.42 -39.37 81.62 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.33 -0.856 . . . . 10.0 112.369 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 69.7 mt -60.93 -28.33 68.86 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.451 1.501 . . . . 10.0 114.112 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -97.97 7.59 46.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.659 1.583 . . . . 10.0 113.613 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -116.87 159.12 22.86 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.159 1.383 . . . . 10.0 112.309 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -32.81 55.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.451 1.501 . . . . 10.0 112.949 -174.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -57.85 -22.96 50.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.826 2.05 . . . . 10.0 114.985 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 68.2 mtp -119.25 -17.08 8.96 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 117.989 -1.005 . . . . 10.0 112.571 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -54.11 -37.14 63.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.036 1.744 . . . . 10.0 112.395 169.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.51 -49.28 77.96 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.018 1.327 . . . . 10.0 111.85 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.87 -42.74 85.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.163 1.385 . . . . 10.0 112.379 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.89 -45.24 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.075 2.15 . . . . 10.0 112.173 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.58 89.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.213 1.005 . . . . 10.0 112.332 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 631' ' ' TYR . . . . . 0.415 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -61.69 -42.56 99.1 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.361 1.064 . . . . 10.0 112.214 170.444 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.24 98.14 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.414 -0.804 . . . . 10.0 111.573 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.01 -45.29 93.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.2 0.909 . . . . 10.0 112.443 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.48 -46.78 87.83 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.568 1.147 . . . . 10.0 112.345 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.76 -42.07 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.402 0.681 . . . . 10.0 111.81 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -53.15 -42.53 66.2 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.334 0.97 . . . . 10.0 111.595 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.07 -29.94 76.35 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.462 1.029 . . . . 10.0 114.545 176.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.66 -40.53 28.9 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.102 1.451 . . . . 10.0 111.529 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -62.11 -39.7 93.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.564 0.746 . . . . 10.0 111.113 172.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.96 -49.06 74.01 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.541 1.936 . . . . 10.0 113.621 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -61.5 -22.38 65.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.291 1.036 . . . . 10.0 113.56 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.5 m -107.71 -20.23 13.28 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.602 1.704 . . . . 10.0 115.602 -170.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.8 133.72 36.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.483 1.038 . . . . 10.0 113.297 -174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.09 3.42 51.83 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 174.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.2 p -152.2 158.65 43.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.885 1.274 . . . . 10.0 111.053 169.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -64.03 -37.89 89.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.242 0.617 . . . . 10.0 112.25 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.97 -42.86 99.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 10.0 112.203 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.14 -39.89 86.66 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.563 -0.711 . . . . 10.0 112.127 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.46 -52.81 63.87 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.176 0.99 . . . . 10.0 111.756 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -53.81 -47.85 70.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 170.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.54 -45.1 89.58 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.039 0.836 . . . . 10.0 111.716 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.75 -43.86 97.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.239 1.015 . . . . 10.0 112.782 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.23 -56.7 18.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.087 0.858 . . . . 10.0 111.276 170.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.99 -26.84 62.4 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 -169.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.77 -44.98 65.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.849 -1.157 . . . . 10.0 111.381 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -38.47 75.5 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.669 0.668 . . . . 10.0 110.926 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 11.2 mm -63.34 -52.59 56.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.927 1.291 . . . . 10.0 111.759 173.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -64.57 -36.87 85.61 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.079 1.309 . . . . 10.0 111.667 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -50.38 70.12 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.775 0.716 . . . . 10.0 112.172 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.47 -40.61 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.443 0.565 . . . . 10.0 110.713 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.14 -51.73 62.47 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -74.39 -23.87 59.04 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.1 -52.24 60.18 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.68 0.673 . . . . 10.0 110.352 169.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.53 -48.08 83.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.993 0.917 . . . . 10.0 111.772 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -57.76 -18.45 21.5 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.32 -60.24 1.59 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.292 -0.88 . . . . 10.0 112.009 171.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -62.7 -22.28 66.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.652 0.982 . . . . 10.0 113.652 -171.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 125.224 1.409 . . . . 10.0 113.109 177.359 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 60.4 tp -125.35 88.3 54.37 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.59 1.556 . . . . 10.0 108.397 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 846' ' ' PRO . . . . . 0.415 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 13.8 Cg_exo -41.89 134.34 3.93 Favored 'Trans proline' 0 C--N 1.352 0.712 1 C-N-CA 126.655 4.903 . . . . 10.0 114.374 174.075 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 59.1 p -55.51 -38.21 68.9 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.441 1.645 . . . . 10.0 115.441 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -44.39 94.04 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.383 1.073 . . . . 10.0 112.641 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.08 -35.69 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.46 1.104 . . . . 10.0 111.44 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 57.8 ttp -53.45 -54.23 39.9 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.016 0.926 . . . . 10.0 110.512 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.52 -41.59 66.53 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.333 1.053 . . . . 10.0 112.945 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -70.13 -41.18 74.27 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.83 -42.99 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.066 -1.022 . . . . 10.0 111.257 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.44 -28.74 69.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.061 0.846 . . . . 10.0 112.633 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -74.71 -46.78 35.4 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.163 1.385 . . . . 10.0 112.436 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -80.08 -42.53 23.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 119.043 2.979 . . . . 10.0 119.043 -170.293 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -153.39 -47.53 0.09 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.462 0.912 . . . . 10.0 113.462 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -58.13 -53.23 60.57 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.315 -0.865 . . . . 10.0 112.151 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -21.52 65.88 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.885 1.068 . . . . 10.0 113.885 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 46.9 mm -74.08 -51.79 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.438 1.095 . . . . 10.0 109.606 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -62.37 -38.6 90.2 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.702 0.801 . . . . 10.0 111.609 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.45 -52.5 64.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.663 1.185 . . . . 10.0 112.135 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 8.3 tt -58.98 -46.9 86.98 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.106 0.962 . . . . 10.0 112.323 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.12 -41.75 99.4 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.455 0.702 . . . . 10.0 111.715 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 58.6 tp -71.01 -39.0 72.65 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.889 1.276 . . . . 10.0 113.232 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.69 -40.74 60.63 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.132 1.373 . . . . 10.0 113.679 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.81 -56.5 4.62 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.322 0.649 . . . . 10.0 111.298 174.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.79 -20.17 66.23 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 95.9 p -70.71 -20.38 62.66 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.096 1.147 . . . . 10.0 114.096 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.6 m -58.32 -41.93 85.64 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.789 1.177 . . . . 10.0 113.249 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.71 -32.3 73.38 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.045 -1.034 . . . . 10.0 112.977 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -71.08 -39.97 71.85 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.103 -0.998 . . . . 10.0 111.589 172.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -61.72 -35.3 77.67 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.2 mp -93.58 -38.76 11.2 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 -173.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -140.49 2.31 1.82 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 -172.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 65.32 -172.32 22.53 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.617 1.103 . . . . 10.0 115.262 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -137.95 6.22 2.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.524 1.53 . . . . 10.0 113.567 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.93 -14.56 60.3 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.412 1.264 . . . . 10.0 114.412 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -67.63 -8.74 37.04 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 115.209 1.559 . . . . 10.0 115.209 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 C--O 1.252 1.199 0 C-N-CA 126.017 1.727 . . . . 10.0 111.779 -177.347 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 94.6 t -139.13 126.63 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.633 1.573 . . . . 10.0 109.397 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -27.92 60.59 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.204 1.002 . . . . 10.0 113.493 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -56.28 117.33 3.69 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.765 1.226 . . . . 10.0 111.556 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -156.96 40.2 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.907 1.718 . . . . 10.0 111.618 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -124.46 -12.34 7.27 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.373 1.469 . . . . 10.0 114.279 -171.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -61.5 -34.16 75.02 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.121 1.369 . . . . 10.0 111.721 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.12 -18.51 61.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.153 1.781 . . . . 10.0 115.102 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -83.65 -19.78 34.78 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.267 0.939 . . . . 10.0 113.369 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 18.0 t -77.08 155.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 10.0 110.647 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 48.0 p -128.81 158.11 39.61 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.994 1.317 . . . . 10.0 110.834 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.04 -38.19 82.01 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.752 -0.592 . . . . 10.0 111.546 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.73 -43.8 97.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.851 0.86 . . . . 10.0 112.149 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.28 -48.72 78.63 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 122.956 0.502 . . . . 10.0 110.408 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.14 -51.66 61.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.54 1.136 . . . . 10.0 112.56 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 72.2 m -58.69 -53.33 59.63 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.248 1.019 . . . . 10.0 112.463 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -69.6 -34.76 74.57 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.853 -0.594 . . . . 10.0 112.403 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.79 -41.76 87.08 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.443 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.85 -47.03 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 120.385 1.448 . . . . 10.0 110.72 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -51.47 66.32 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.895 0.878 . . . . 10.0 112.047 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -71.38 -25.29 62.3 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.741 0.816 . . . . 10.0 112.364 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.5 -53.78 54.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.036 0.934 . . . . 10.0 108.503 168.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 57.7 t -54.97 -44.55 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.572 1.149 . . . . 10.0 112.723 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -57.65 -32.65 67.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.773 1.027 . . . . 10.0 113.773 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -96.47 -27.81 14.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.085 0.772 . . . . 10.0 113.085 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.83 -47.27 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.325 0.65 . . . . 10.0 110.302 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -146.98 102.19 3.86 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 123.473 0.709 . . . . 10.0 109.923 169.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.9 -7.03 3.01 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 124.937 3.758 . . . . 10.0 117.168 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 82.4 p 58.19 151.99 0.08 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 129.446 3.099 . . . . 10.0 116.498 -170.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.74 -34.89 8.36 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.02 2.48 . . . . 10.0 112.491 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -155.52 158.29 31.82 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 128.151 2.581 . . . . 10.0 109.058 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -68.78 -19.93 40.43 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.594 2.196 . . . . 10.0 113.579 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.53 74.17 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.342 -0.848 . . . . 10.0 113.036 169.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.7 64.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.222 -0.924 . . . . 10.0 113.251 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.25 -26.85 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.102 0.961 . . . . 10.0 112.541 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -94.89 -17.21 22.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.295 1.438 . . . . 10.0 113.406 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -64.21 143.8 57.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.201 1.0 . . . . 10.0 112.865 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -27.6 44.09 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.664 1.727 . . . . 10.0 115.664 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -71.08 -27.37 63.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.524 1.056 . . . . 10.0 112.715 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -64.97 -24.31 67.48 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.381 0.672 . . . . 10.0 112.502 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.657 -1.277 . . . . 10.0 113.338 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.5 -43.92 75.82 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.498 -0.751 . . . . 10.0 111.375 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -47.55 85.54 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.884 1.674 . . . . 10.0 110.961 174.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -59.49 -47.04 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.461 1.904 . . . . 10.0 112.527 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.66 91.93 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.151 -0.968 . . . . 10.0 112.14 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.3 -47.52 83.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.226 1.01 . . . . 10.0 111.732 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.56 95.44 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.543 -0.723 . . . . 10.0 112.452 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.01 -44.76 96.94 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.082 0.855 . . . . 10.0 112.424 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.77 -45.37 90.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.284 1.034 . . . . 10.0 112.23 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.8 -49.2 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.168 0.987 . . . . 10.0 110.665 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -55.11 -46.26 75.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.26 0.937 . . . . 10.0 112.113 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.65 -35.54 91.22 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.71 0.672 . . . . 10.0 114.092 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.86 -37.32 67.42 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.473 1.137 . . . . 10.0 111.849 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 17.4 mmt -72.12 -35.22 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.691 1.196 . . . . 10.0 111.421 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.79 -50.98 70.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.372 1.469 . . . . 10.0 111.67 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.89 -25.5 67.2 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.412 -0.805 . . . . 10.0 113.015 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -80.08 2.69 22.97 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.99 54.28 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -7.91 57.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.818 1.247 . . . . 10.0 113.612 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 64.4 p -147.16 161.19 41.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.723 1.609 . . . . 10.0 112.209 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 27.1 ttp-105 -62.32 -38.17 88.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.987 0.915 . . . . 10.0 112.529 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.41 -44.81 95.56 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 10.0 112.355 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.43 -38.4 87.34 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.573 -0.704 . . . . 10.0 112.136 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -58.0 -55.23 37.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.428 1.091 . . . . 10.0 111.829 173.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -53.2 -45.23 68.49 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.734 1.013 . . . . 10.0 113.734 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -59.15 -45.4 91.07 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.133 0.573 . . . . 10.0 111.825 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.91 -42.96 89.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.823 0.849 . . . . 10.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 64.4 mt -55.54 -55.86 27.02 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.173 0.897 . . . . 10.0 110.801 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.73 -32.57 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.968 0.907 . . . . 10.0 113.296 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.72 -43.91 78.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.005 1.275 . . . . 10.0 112.305 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -37.78 82.17 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.261 -0.899 . . . . 10.0 111.691 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.49 -46.84 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.661 1.185 . . . . 10.0 112.044 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.26 -51.11 69.34 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.891 1.276 . . . . 10.0 111.154 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -54.58 -59.0 5.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.585 0.754 . . . . 10.0 111.815 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.66 -45.91 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.239 0.615 . . . . 10.0 111.142 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -68.58 -57.58 5.53 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -13.95 58.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.06 1.504 . . . . 10.0 115.06 -169.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -72.22 -55.65 6.86 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.06 0.846 . . . . 10.0 109.74 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.99 -34.55 78.25 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.695 -0.628 . . . . 10.0 112.521 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.99 -19.5 44.06 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.397 1.258 . . . . 10.0 114.397 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -116.0 -28.48 6.62 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.655 -1.278 . . . . 10.0 113.958 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.64 -24.73 58.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.266 -0.896 . . . . 10.0 113.319 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -136.39 -7.31 1.99 Allowed 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 114.944 1.461 . . . . 10.0 114.944 -171.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -141.24 18.35 2.25 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 42.2 p -51.82 -33.68 36.96 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.731 1.752 . . . . 10.0 115.731 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -70.88 -12.39 61.52 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.254 1.325 0 C-N-CA 128.291 2.636 . . . . 10.0 113.939 -175.277 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 111.48 0.178 . . . . 10.0 111.48 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -143.15 175.59 9.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.109 1.364 . . . . 10.0 112.464 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -137.44 29.47 2.69 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.294 1.437 . . . . 10.0 112.796 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -61.72 156.17 36.35 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.176 0.893 . . . . 10.0 114.411 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -70.29 158.14 36.44 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.001 0.92 . . . . 10.0 112.795 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 3.5 mm -127.19 -13.15 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.254 2.222 . . . . 10.0 112.153 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 63.9 tp -125.45 89.27 52.81 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.249 1.82 . . . . 10.0 109.585 -169.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.2 142.62 20.97 Favored 'Trans proline' 0 C--N 1.353 0.803 1 C-N-CA 125.953 4.436 . . . . 10.0 114.094 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 51.8 p -51.99 -40.96 61.77 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.559 1.689 . . . . 10.0 115.559 -170.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.49 -42.8 95.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.727 0.694 . . . . 10.0 112.659 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.6 mp -76.18 -38.79 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.593 0.757 . . . . 10.0 110.284 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 19.6 ttt -51.97 -56.35 14.77 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.509 1.124 . . . . 10.0 110.961 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -41.01 60.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.558 1.143 . . . . 10.0 113.543 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.06 -44.62 91.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.796 0.838 . . . . 10.0 112.628 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.48 -38.9 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.986 0.812 . . . . 10.0 111.45 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -39.01 90.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.127 -0.983 . . . . 10.0 112.598 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.46 -43.0 77.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.228 1.011 . . . . 10.0 112.586 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.2 -38.41 31.26 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.194 1.553 . . . . 10.0 115.194 -171.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 40.4 p -75.07 -26.74 0.66 Allowed Pre-proline 0 N--CA 1.48 1.036 0 N-CA-C 118.195 2.665 . . . . 10.0 118.195 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.83 172.61 1.09 Allowed 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 124.345 3.364 . . . . 10.0 116.555 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 15.9 t -138.77 153.56 48.44 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.023 1.729 . . . . 10.0 110.547 170.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 61.5 mtt -145.57 168.49 20.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.336 1.454 . . . . 10.0 112.468 -170.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -137.81 167.79 21.0 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.425 1.89 . . . . 10.0 110.886 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -145.26 162.65 36.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.97 1.308 . . . . 10.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -154.45 172.04 18.4 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.092 1.757 . . . . 10.0 112.277 -177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -168.68 28.37 0.15 Allowed Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.442 1.02 . . . . 10.0 115.05 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.4 167.17 15.2 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.113 0.965 . . . . 10.0 113.37 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 43.3 t -149.71 143.75 17.07 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 125.016 1.326 . . . . 10.0 111.461 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -76.39 -8.26 18.35 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.638 2.892 . . . . 10.0 113.693 174.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.5 148.78 47.76 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.44 1.096 . . . . 10.0 112.757 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.083 1.753 . . . . 10.0 111.851 177.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 87.6 mttt . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -36.75 -51.95 0.89 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 129.29 3.036 . . . . 10.0 115.685 -169.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -59.34 -43.83 92.72 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.68 -33.96 64.67 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.775 0.83 . . . . 10.0 111.841 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 3.6 mm -59.42 -49.81 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.952 0.796 . . . . 10.0 110.051 174.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -66.15 -38.46 88.17 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.84 -49.44 76.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.55 1.14 . . . . 10.0 112.592 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.88 -42.46 99.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.775 1.23 . . . . 10.0 111.724 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.22 -43.84 90.19 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.91 0.884 . . . . 10.0 111.869 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 68.7 tp -72.15 -26.72 62.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.102 1.761 . . . . 10.0 113.853 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.85 -42.82 48.33 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.492 1.117 . . . . 10.0 112.929 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.98 -54.29 28.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.293 1.037 . . . . 10.0 111.798 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 52.9 mtt -61.23 -29.48 69.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.751 1.22 . . . . 10.0 113.7 -171.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.5 t -65.26 -19.98 66.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.241 1.416 . . . . 10.0 114.293 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.3 m -56.71 -41.6 77.7 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.185 0.994 . . . . 10.0 113.157 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -66.12 -20.64 66.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.634 0.975 . . . . 10.0 113.634 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -79.72 -42.37 24.78 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.325 0.966 . . . . 10.0 111.523 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -61.7 -47.71 84.04 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.821 0.848 . . . . 10.0 112.399 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.12 -13.45 58.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.258 1.423 . . . . 10.0 114.785 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -68.24 -15.83 63.73 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.259 1.024 . . . . 10.0 113.495 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 114.35 37.82 1.17 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.948 1.261 . . . . 10.0 113.72 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -56.75 153.68 10.29 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.917 1.451 . . . . 10.0 114.917 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -147.39 -3.89 0.54 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.45 1.648 . . . . 10.0 115.45 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -151.59 167.87 26.73 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.514 1.126 . . . . 10.0 112.562 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.51 1.924 . . . . 10.0 113.122 176.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.47 147.07 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.791 1.636 . . . . 10.0 109.88 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -132.94 -30.47 1.37 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.51 1.524 . . . . 10.0 113.834 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -140.55 166.21 25.35 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 127.224 2.21 . . . . 10.0 110.604 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -145.02 22.27 1.94 Allowed Glycine 0 CA--C 1.536 1.363 0 N-CA-C 115.815 1.086 . . . . 10.0 115.815 -174.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -139.86 -9.34 1.19 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -66.37 -17.39 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.152 -0.968 . . . . 10.0 113.285 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.45 -20.25 29.24 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -107.59 -4.59 18.18 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.4 t -74.39 149.09 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.701 1.2 . . . . 10.0 110.657 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 14.8 t -143.3 156.5 44.73 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.029 1.332 . . . . 10.0 111.017 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -58.84 -40.26 83.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.678 0.791 . . . . 10.0 112.484 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.43 -37.23 74.97 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.654 0.782 . . . . 10.0 113.1 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.31 -55.66 19.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.348 0.659 . . . . 10.0 110.395 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -53.71 -45.77 70.53 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.133 0.973 . . . . 10.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.7 m -57.21 -53.67 55.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.726 1.21 . . . . 10.0 112.846 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.9 -39.65 87.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.009 -0.432 . . . . 10.0 112.156 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.4 -45.1 94.67 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.69 0.677 . . . . 10.0 111.753 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 44.5 t -57.12 -49.51 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 118.808 0.731 . . . . 10.0 111.151 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -40.55 82.59 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.163 0.892 . . . . 10.0 112.662 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -75.33 -39.18 59.72 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.019 0.928 . . . . 10.0 112.513 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -45.57 89.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 10.0 110.689 169.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.93 -50.44 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.281 1.432 . . . . 10.0 112.963 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.31 -38.74 92.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.353 0.979 . . . . 10.0 112.903 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.19 94.66 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 122.149 -0.344 . . . . 10.0 111.926 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.79 -46.47 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.108 0.963 . . . . 10.0 111.839 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -147.17 112.02 4.08 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.518 0.727 . . . . 10.0 110.311 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -59.41 -6.06 3.76 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.314 3.343 . . . . 10.0 116.868 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.67 151.42 0.14 Allowed Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 127.89 2.476 . . . . 10.0 113.299 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -85.01 -37.39 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.245 2.63 . . . . 10.0 112.635 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -157.74 154.96 26.04 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.919 2.887 . . . . 10.0 108.841 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.72 -17.89 42.3 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.771 2.314 . . . . 10.0 113.568 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.16 -27.96 69.07 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.37 95.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.81 0.844 . . . . 10.0 111.712 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.1 -20.37 17.03 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.557 1.943 . . . . 10.0 114.438 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -118.46 19.63 13.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 10.0 113.535 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -132.37 163.78 27.94 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.003 1.321 . . . . 10.0 112.782 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . 0.41 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 8.4 mpt_? -53.02 -36.01 60.06 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.279 1.832 . . . . 10.0 112.927 -171.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -53.13 -42.56 66.18 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.591 1.556 . . . . 10.0 113.302 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.8 tpt -94.17 -26.85 16.5 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.283 0.633 . . . . 10.0 112.262 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -53.45 -36.24 61.38 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.346 0.976 . . . . 10.0 112.421 169.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.76 -44.37 96.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.413 -0.805 . . . . 10.0 112.641 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.24 -48.55 75.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.17 1.388 . . . . 10.0 110.888 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.35 -43.7 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 126.288 1.835 . . . . 10.0 112.161 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.54 85.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.492 1.117 . . . . 10.0 112.084 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.72 -46.57 81.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.216 1.006 . . . . 10.0 111.895 170.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.7 76.49 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.433 -0.794 . . . . 10.0 111.408 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.77 -46.36 90.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.603 1.092 . . . . 10.0 113.331 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.61 -47.68 81.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.204 1.402 . . . . 10.0 111.675 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.6 t -79.79 -35.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.772 -0.632 . . . . 10.0 111.79 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.29 -40.71 71.39 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.416 1.462 . . . . 10.0 111.414 172.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.26 -34.23 88.94 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.161 0.886 . . . . 10.0 114.212 171.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.28 -39.33 74.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.83 1.315 . . . . 10.0 111.692 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.3 mmt -66.59 -43.42 84.95 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.542 1.137 . . . . 10.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -59.58 -50.11 75.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.498 1.519 . . . . 10.0 112.866 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.02 -24.76 66.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.245 -0.909 . . . . 10.0 113.126 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.2 m -82.28 -34.34 28.75 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.967 1.099 . . . . 10.0 113.967 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.91 122.37 19.84 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.203 1.186 . . . . 10.0 114.203 -170.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -17.79 64.29 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.646 0.98 . . . . 10.0 113.646 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 86.1 p -149.04 163.39 37.66 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.256 1.422 . . . . 10.0 113.008 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -53.39 -46.71 69.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.89 1.676 . . . . 10.0 112.717 173.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.8 -32.02 67.18 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.11 -39.59 78.84 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.365 0.984 . . . . 10.0 111.719 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.84 -54.68 44.14 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.752 0.821 . . . . 10.0 111.478 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.61 -44.68 77.25 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 114.008 1.114 . . . . 10.0 114.008 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.63 -43.05 89.59 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.149 0.886 . . . . 10.0 111.824 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.75 -45.09 91.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.321 1.049 . . . . 10.0 112.648 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.883 0.765 . . . . 10.0 112.254 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.54 74.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.816 0.846 . . . . 10.0 112.16 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.27 -40.96 97.05 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.423 -0.798 . . . . 10.0 111.351 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -45.97 91.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.196 0.907 . . . . 10.0 112.0 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.82 -56.95 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.413 1.006 . . . . 10.0 110.088 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -56.34 -45.19 80.52 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.017 0.927 . . . . 10.0 112.04 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.14 -45.26 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.872 1.214 . . . . 10.0 109.905 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -62.12 -50.36 72.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.337 0.655 . . . . 10.0 111.85 -171.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -71.68 -30.49 65.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.164 1.386 . . . . 10.0 113.715 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -71.21 -54.4 11.1 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.403 0.547 . . . . 10.0 111.575 170.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.09 -33.31 75.73 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.081 -1.012 . . . . 10.0 113.077 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -63.51 -3.74 2.34 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.535 1.68 . . . . 10.0 115.535 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.64 -32.9 2.82 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.652 1.114 . . . . 10.0 113.403 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.17 -26.63 64.0 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -125.77 3.67 7.44 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.478 1.511 . . . . 10.0 114.321 -170.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -130.2 11.71 5.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.477 1.511 . . . . 10.0 113.728 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 78.3 p -59.37 -20.33 53.89 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.551 1.54 . . . . 10.0 115.139 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -70.54 -7.35 43.17 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.668 1.587 . . . . 10.0 114.395 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.206 1.803 . . . . 10.0 111.898 -173.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.745 0.307 . . . . 10.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -72.27 -9.31 58.3 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.021 1.489 . . . . 10.0 115.021 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -143.78 -34.11 0.4 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.379 1.622 . . . . 10.0 115.379 -174.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 141.85 -175.64 22.46 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.775 1.178 . . . . 10.0 114.049 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -145.93 158.44 43.86 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.716 1.606 . . . . 10.0 110.385 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 31.6 mm -58.93 -28.3 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.556 0.742 . . . . 10.0 112.35 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 52.4 tp -124.01 85.03 54.62 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.686 1.994 . . . . 10.0 108.097 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.75 141.09 16.51 Favored 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 125.673 4.249 . . . . 10.0 113.663 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.4 p -54.21 -35.84 62.82 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 -170.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.59 -43.56 76.2 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.122 0.874 . . . . 10.0 112.934 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.76 -38.28 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.216 0.607 . . . . 10.0 110.097 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 18.4 ttt -53.64 -55.65 24.06 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.793 0.837 . . . . 10.0 110.47 174.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.24 -37.65 72.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.125 0.97 . . . . 10.0 113.3 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.68 -50.99 71.29 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.488 0.585 . . . . 10.0 112.038 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 15.7 t -63.18 -41.24 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.98 0.809 . . . . 10.0 111.219 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.55 -26.51 67.16 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.421 0.897 . . . . 10.0 113.421 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -78.4 -37.13 44.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.656 1.182 . . . . 10.0 113.375 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -80.17 -39.2 29.77 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.145 1.165 . . . . 10.0 114.145 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 23.9 p -73.57 -33.85 2.01 Favored Pre-proline 0 N--CA 1.477 0.914 0 N-CA-C 117.677 2.473 . . . . 10.0 117.677 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -94.21 174.57 1.4 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.245 2.63 . . . . 10.0 113.315 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 46.3 m -67.55 161.89 24.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.122 0.969 . . . . 10.0 111.049 168.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 47.1 ttm -146.96 143.67 28.63 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.359 -0.838 . . . . 10.0 112.049 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.77 -8.69 22.66 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -55.59 -20.24 12.89 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.152 1.381 . . . . 10.0 114.389 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.58 -23.16 66.87 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 148.71 158.42 8.02 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.441 1.496 . . . . 10.0 113.576 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -71.93 166.38 22.27 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.814 1.042 . . . . 10.0 113.814 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 23.0 t -144.43 89.13 6.99 Favored Pre-proline 0 N--CA 1.473 0.715 0 C-N-CA 125.294 1.438 . . . . 10.0 110.463 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.92 161.63 4.61 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.569 3.512 . . . . 10.0 115.156 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -138.8 164.57 29.27 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.949 1.7 . . . . 10.0 111.768 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.255 1.371 0 C-N-CA 125.961 1.705 . . . . 10.0 113.572 -179.849 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.37 -0.348 . . . . 10.0 110.638 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -155.58 -71.62 0.12 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.554 0.616 . . . . 10.0 112.127 169.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -58.59 -59.25 5.68 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.372 1.469 . . . . 10.0 113.121 -171.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.73 -32.94 72.18 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.769 0.828 . . . . 10.0 113.11 -174.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.64 -50.87 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.217 1.007 . . . . 10.0 111.054 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -71.53 -37.45 71.17 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 119.088 -0.482 . . . . 10.0 111.979 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -57.73 -47.45 82.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.236 1.015 . . . . 10.0 112.728 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.34 -44.81 96.56 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 10.0 111.93 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -66.42 -46.1 77.67 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.592 0.757 . . . . 10.0 111.689 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.45 -21.08 59.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.379 1.471 . . . . 10.0 113.447 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.98 -32.3 53.55 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.302 0.955 . . . . 10.0 113.406 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.54 -52.35 16.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.65 0.78 . . . . 10.0 110.75 169.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' MET . . . . . 0.41 ' HA ' ' CE1' ' B' ' 650' ' ' TYR . 61.0 mtt -61.08 -24.19 66.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.21 1.804 . . . . 10.0 114.58 -171.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 92.6 p -59.97 -27.57 66.94 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 12.7 m -56.68 -42.2 78.62 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.148 0.979 . . . . 10.0 113.516 -171.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -26.78 68.65 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 177.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -77.85 -43.71 29.47 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.495 0.718 . . . . 10.0 110.947 171.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.3 -36.84 82.34 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.163 -0.96 . . . . 10.0 112.994 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.13 -8.25 43.65 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.572 1.149 . . . . 10.0 113.731 171.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -116.02 -31.3 5.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.076 1.75 . . . . 10.0 113.295 -175.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -101.49 -6.83 49.92 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.12 1.819 . . . . 10.0 115.184 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -110.57 13.84 22.54 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.669 1.187 . . . . 10.0 112.75 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -60.94 149.67 35.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.314 1.045 . . . . 10.0 111.752 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -139.33 8.46 2.44 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.421 1.267 . . . . 10.0 114.421 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.167 1.787 . . . . 10.0 111.638 -176.662 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.316 0 CA-C-O 119.573 -0.57 . . . . 10.0 111.728 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 39.5 t -85.06 125.09 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 118.369 1.084 . . . . 10.0 110.811 -172.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.34 138.18 36.67 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.186 0.994 . . . . 10.0 110.401 172.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -131.45 15.22 4.99 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.041 1.337 . . . . 10.0 114.007 -169.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 80.12 -46.11 3.12 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.485 1.517 . . . . 10.0 114.543 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -66.4 -16.08 63.8 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -57.67 -27.81 63.2 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.892 1.277 . . . . 10.0 113.579 -171.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -20.86 64.41 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -80.65 3.21 22.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.196 0.999 . . . . 10.0 113.508 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.25 144.49 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.921 1.688 . . . . 10.0 110.197 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 61.2 p -131.4 164.42 25.74 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.075 1.75 . . . . 10.0 110.697 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -36.41 79.08 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.484 -0.76 . . . . 10.0 112.243 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.52 -43.9 95.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.707 0.803 . . . . 10.0 111.773 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.31 -48.78 76.62 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.719 0.407 . . . . 10.0 110.907 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.09 -47.69 71.49 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.707 1.203 . . . . 10.0 112.696 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.9 m -56.55 -51.79 67.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.395 1.078 . . . . 10.0 111.698 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -72.1 -40.59 68.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.15 -49.51 75.55 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.487 1.039 . . . . 10.0 111.859 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.65 -45.1 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.277 0.944 . . . . 10.0 110.638 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.1 -50.72 72.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.699 0.681 . . . . 10.0 112.603 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.808 0.843 . . . . 10.0 112.989 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.98 -50.69 72.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.553 1.141 . . . . 10.0 110.324 170.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.55 -43.13 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.158 0.983 . . . . 10.0 113.013 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -62.83 -40.0 96.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.251 0.932 . . . . 10.0 112.981 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.2 92.59 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.737 -0.602 . . . . 10.0 111.716 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 77.3 mt -61.47 -44.96 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.606 1.162 . . . . 10.0 111.415 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -144.72 112.02 4.93 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.455 0.702 . . . . 10.0 110.383 169.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -57.02 -10.12 5.35 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.602 3.535 . . . . 10.0 117.506 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.6 148.79 0.12 Allowed Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 127.764 2.425 . . . . 10.0 113.67 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -85.57 -35.97 0.14 Allowed 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.636 2.891 . . . . 10.0 112.969 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -158.89 155.65 25.09 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 128.858 2.863 . . . . 10.0 108.773 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.39 -17.5 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.799 2.333 . . . . 10.0 113.648 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.21 71.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.709 0.804 . . . . 10.0 113.039 169.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.28 -35.22 80.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.312 -0.868 . . . . 10.0 112.201 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.36 -8.17 8.21 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.156 1.383 . . . . 10.0 113.81 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -119.1 15.04 13.21 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.019 2.128 . . . . 10.0 112.185 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -116.31 142.31 47.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.786 1.635 . . . . 10.0 111.561 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -20.84 59.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -177.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -67.23 -41.08 86.3 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.497 1.044 . . . . 10.0 111.827 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.6 tpt -74.62 -31.07 61.87 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.817 0.847 . . . . 10.0 112.006 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.04 -31.54 63.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.153 -0.967 . . . . 10.0 113.581 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.02 -44.25 94.72 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.369 -0.832 . . . . 10.0 111.914 171.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.24 -42.99 78.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.066 0.946 . . . . 10.0 111.446 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.25 -43.33 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.393 1.077 . . . . 10.0 111.865 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.27 68.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.702 1.201 . . . . 10.0 112.963 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . 0.402 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.34 -42.34 95.48 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.073 0.851 . . . . 10.0 111.322 172.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.13 86.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.398 -0.81 . . . . 10.0 111.388 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.49 -43.34 89.0 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.618 1.099 . . . . 10.0 112.754 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.35 -49.4 77.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.556 1.142 . . . . 10.0 111.953 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.78 -38.46 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 122.959 0.504 . . . . 10.0 111.874 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.18 -42.05 72.7 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.701 1.137 . . . . 10.0 111.477 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.28 -31.54 80.85 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.378 0.989 . . . . 10.0 114.12 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.5 -37.13 60.36 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.822 1.311 . . . . 10.0 111.757 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 26.3 mmt -65.33 -41.54 93.87 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.269 1.027 . . . . 10.0 110.958 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.61 -44.69 95.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.471 1.509 . . . . 10.0 112.933 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.0 -29.78 70.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.259 -0.901 . . . . 10.0 112.574 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.7 t -76.66 -40.1 50.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.993 0.917 . . . . 10.0 113.183 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -67.83 136.95 54.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -79.25 -14.72 58.86 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.054 1.741 . . . . 10.0 113.338 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 59.7 p -152.98 164.19 38.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.613 1.565 . . . . 10.0 111.774 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -58.81 -41.7 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.459 0.703 . . . . 10.0 112.248 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -71.44 -32.47 68.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.899 0.48 . . . . 10.0 111.992 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.28 -39.51 82.09 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.453 -0.779 . . . . 10.0 111.824 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.48 -52.09 66.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.772 0.829 . . . . 10.0 111.336 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' A' ' 303' ' ' MET . 0.9 OUTLIER -51.97 -48.75 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 170.345 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -62.08 -40.05 94.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.15 0.58 . . . . 10.0 112.27 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.07 -41.91 90.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.488 1.115 . . . . 10.0 112.686 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.56 -48.17 81.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.768 0.713 . . . . 10.0 111.424 171.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.05 -30.06 66.13 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.26 -43.65 94.17 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.178 -0.952 . . . . 10.0 111.498 170.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -58.23 -38.97 77.88 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 10.0 112.23 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 18.8 mm -66.71 -45.31 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.797 -0.565 . . . . 10.0 112.447 174.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.0 -48.79 80.24 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.125 0.875 . . . . 10.0 111.721 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -54.38 11.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.299 2.239 . . . . 10.0 112.045 173.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.58 -51.55 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.339 0.655 . . . . 10.0 111.085 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.51 -47.79 80.25 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.922 -0.486 . . . . 10.0 112.309 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.2 mmpt? -71.14 -32.3 68.79 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.49 0.716 . . . . 10.0 112.88 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.36 -48.64 64.25 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.493 0.317 . . . . 10.0 111.611 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.11 -32.88 74.8 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.934 -1.104 . . . . 10.0 112.875 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -62.61 -6.81 3.82 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -108.23 -49.71 3.15 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.817 1.647 . . . . 10.0 110.984 169.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -67.36 -14.17 62.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.608 1.336 . . . . 10.0 114.608 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -117.52 4.47 12.43 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.685 1.994 . . . . 10.0 112.94 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -62.17 -15.27 44.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.698 1.599 . . . . 10.0 114.063 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 31.5 p -60.99 -20.65 62.7 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.39 1.876 . . . . 10.0 114.722 170.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -65.55 104.64 1.04 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.467 1.107 . . . . 10.0 111.11 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 65.6 mt . . . . . 0 C--O 1.254 1.311 0 C-N-CA 125.617 1.567 . . . . 10.0 112.861 178.1 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.945 0.402 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -150.03 152.54 35.02 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.18 1.392 . . . . 10.0 111.57 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -68.68 -15.84 63.64 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 76.37 -164.21 53.33 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 119.279 0.945 . . . . 10.0 113.57 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -140.41 121.92 15.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.858 1.263 . . . . 10.0 111.103 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 47.1 mt -74.63 -18.05 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.159 1.384 . . . . 10.0 113.424 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.4 tp -128.22 77.85 76.31 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.173 1.789 . . . . 10.0 109.294 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . 0.402 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 41.8 Cg_exo -41.62 134.94 3.4 Favored 'Trans proline' 0 C--N 1.352 0.722 1 C-N-CA 126.202 4.601 . . . . 10.0 114.013 177.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.5 m -55.04 -37.07 66.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.319 1.599 . . . . 10.0 115.319 -169.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.56 -37.66 82.99 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.704 0.684 . . . . 10.0 112.768 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.95 -43.05 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.883 0.873 . . . . 10.0 110.654 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 61.7 ttp -54.46 -51.8 63.86 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.447 0.699 . . . . 10.0 110.509 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -55.07 -38.71 68.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.394 1.478 . . . . 10.0 113.668 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -64.75 -52.54 56.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.098 0.959 . . . . 10.0 111.721 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.46 -39.99 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.436 -0.79 . . . . 10.0 111.621 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.93 -34.52 78.31 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.331 -0.856 . . . . 10.0 112.908 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -80.04 -31.91 39.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.9 1.074 . . . . 10.0 113.9 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -73.82 -41.06 62.86 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 18.9 p -68.56 -36.17 7.95 Favored Pre-proline 0 N--CA 1.476 0.852 0 N-CA-C 116.797 2.147 . . . . 10.0 116.797 -171.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -80.24 66.16 8.83 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 124.114 3.209 . . . . 10.0 111.655 173.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 75.1 p -62.76 17.84 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 128.281 2.632 . . . . 10.0 117.521 -174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 89.8 mtp -64.72 150.9 46.42 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.473 -1.392 . . . . 10.0 112.54 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -131.74 -2.5 3.74 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.092 1.357 . . . . 10.0 114.194 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.22 156.01 37.38 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.192 0.997 . . . . 10.0 113.018 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 56.6 tp -152.18 -46.68 0.1 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.135 0.974 . . . . 10.0 113.608 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 173.54 40.28 0.04 OUTLIER Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.392 0.917 . . . . 10.0 115.392 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -70.1 166.19 20.38 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.984 0.914 . . . . 10.0 113.188 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 9.2 t -142.52 70.5 21.03 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.17 1.388 . . . . 10.0 110.984 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.23 168.7 23.43 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.83 3.02 . . . . 10.0 112.99 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -72.79 -8.3 54.83 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.325 1.232 . . . . 10.0 114.325 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.254 1.324 0 C-N-CA 127.172 2.189 . . . . 10.0 114.689 -176.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 111.743 0.275 . . . . 10.0 111.743 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -32.43 -57.05 0.34 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 129.625 3.17 . . . . 10.0 116.237 -169.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -65.5 -58.2 6.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.369 0.668 . . . . 10.0 112.067 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -60.9 -32.92 72.37 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.874 0.87 . . . . 10.0 112.574 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 6.1 mm -54.54 -55.7 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.405 1.002 . . . . 10.0 110.719 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -69.59 -41.63 75.53 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.072 0.549 . . . . 10.0 111.741 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -52.42 -48.2 65.89 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.88 1.672 . . . . 10.0 112.329 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.9 tp -77.47 -37.98 50.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.515 0.726 . . . . 10.0 112.715 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.71 -40.96 92.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.457 -0.777 . . . . 10.0 112.04 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.92 -34.49 74.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.528 1.531 . . . . 10.0 113.175 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.2 mt -58.62 -36.14 73.58 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.598 0.759 . . . . 10.0 112.799 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.59 -53.44 7.19 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.644 0.656 . . . . 10.0 110.219 168.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 38.0 ttm -55.13 -29.46 57.76 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.558 1.143 . . . . 10.0 114.063 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -58.31 -25.09 61.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.467 1.284 . . . . 10.0 114.467 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.4 m -59.59 -39.15 83.2 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.585 1.084 . . . . 10.0 113.605 -172.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.18 -24.22 66.6 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.38 0.882 . . . . 10.0 113.38 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -80.02 -45.3 18.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.509 1.123 . . . . 10.0 111.689 170.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.08 -38.7 71.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.269 1.028 . . . . 10.0 112.918 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.3 mp -77.4 -3.62 41.13 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.009 1.485 . . . . 10.0 115.009 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.98 -28.95 69.38 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.083 1.31 . . . . 10.0 113.885 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 157.82 165.47 15.44 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.056 0.836 . . . . 10.0 114.795 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.06 -13.07 0.22 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.914 1.449 . . . . 10.0 114.914 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -145.85 58.46 1.24 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.55 1.54 . . . . 10.0 109.825 173.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -62.33 -24.17 67.18 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.002 1.112 . . . . 10.0 114.002 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 C--O 1.254 1.321 0 C-N-CA 126.22 1.808 . . . . 10.0 111.589 172.287 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 112.242 -0.343 . . . . 10.0 112.242 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 39.0 t -130.59 -28.43 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 124.797 1.239 . . . . 10.0 112.722 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -148.49 159.9 43.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.782 1.633 . . . . 10.0 111.189 -173.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -50.33 -45.43 54.89 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.027 1.731 . . . . 10.0 114.654 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 73.83 -50.8 1.88 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 126.043 1.782 . . . . 10.0 115.372 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.2 p-90 -61.43 -19.78 62.35 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -60.63 -24.84 65.84 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.856 1.262 . . . . 10.0 112.68 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.74 -5.32 39.96 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.956 1.302 . . . . 10.0 113.572 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -114.68 20.15 15.48 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.928 2.091 . . . . 10.0 112.214 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.46 134.51 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.508 1.923 . . . . 10.0 109.357 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 80.5 p -100.29 159.11 15.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.448 1.099 . . . . 10.0 111.4 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.53 -35.84 76.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.403 -0.81 . . . . 10.0 111.532 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.49 -37.62 88.0 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.652 -0.655 . . . . 10.0 112.414 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 40.1 tp -63.46 -46.89 84.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.91 -0.567 . . . . 10.0 111.336 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -55.81 -50.63 69.98 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.044 0.838 . . . . 10.0 111.789 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.5 m -56.82 -53.56 56.41 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.018 0.927 . . . . 10.0 112.728 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.86 -38.62 86.69 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.958 -0.544 . . . . 10.0 111.896 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.23 -44.39 95.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.441 -1.266 . . . . 10.0 112.07 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.9 -49.03 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 120.576 1.535 . . . . 10.0 110.747 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -41.78 69.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.602 0.761 . . . . 10.0 112.829 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -82.62 -30.91 29.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.829 0.851 . . . . 10.0 113.018 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 3.6 tp -58.72 -47.92 82.94 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.386 1.074 . . . . 10.0 108.42 169.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 54.7 t -54.8 -45.65 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 10.0 112.264 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -62.37 -39.62 93.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.974 1.261 . . . . 10.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.0 -29.23 62.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 53.4 mt -68.28 -55.06 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.598 -0.689 . . . . 10.0 109.834 170.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -150.14 118.49 3.64 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.482 1.113 . . . . 10.0 110.823 172.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -61.04 -8.42 9.87 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.892 3.062 . . . . 10.0 117.127 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.0 148.72 0.12 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 127.522 2.329 . . . . 10.0 113.472 -172.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -87.47 -37.23 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.466 2.777 . . . . 10.0 112.928 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -160.17 158.07 25.67 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 128.821 2.848 . . . . 10.0 108.976 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.61 -22.87 37.37 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.603 2.202 . . . . 10.0 113.137 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -63.2 -21.66 66.36 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 171.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.28 -50.4 22.41 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.407 -0.808 . . . . 10.0 111.775 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.83 -16.02 64.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.67 -6.01 52.4 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.378 1.871 . . . . 10.0 113.509 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -123.17 153.33 40.18 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.848 1.259 . . . . 10.0 113.538 -171.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -55.55 -31.82 62.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.254 1.422 . . . . 10.0 113.33 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -51.58 -47.25 63.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.587 1.155 . . . . 10.0 112.671 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.6 tpt -81.78 -30.6 32.23 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.675 0.79 . . . . 10.0 112.245 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -55.37 -32.16 62.35 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 113.566 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -56.89 -47.28 80.85 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.864 0.866 . . . . 10.0 112.023 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.94 -40.34 75.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.343 1.457 . . . . 10.0 111.767 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.74 -44.41 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.06 1.344 . . . . 10.0 111.924 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.381 1.072 . . . . 10.0 112.155 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 -45.9 84.57 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.475 1.11 . . . . 10.0 111.548 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.24 99.49 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.742 0.817 . . . . 10.0 112.4 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -44.02 96.54 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.899 0.772 . . . . 10.0 112.312 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.92 -44.3 93.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.914 0.886 . . . . 10.0 112.173 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.4 -51.14 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.758 0.823 . . . . 10.0 110.692 172.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.04 -46.56 71.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.95 0.795 . . . . 10.0 112.213 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.05 90.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.907 0.765 . . . . 10.0 114.108 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.33 -34.91 65.91 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.79 1.295 . . . . 10.0 111.818 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 31.8 mmt -71.71 -39.18 70.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.097 0.959 . . . . 10.0 110.989 174.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -62.41 -48.18 80.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.241 1.417 . . . . 10.0 112.673 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.0 -27.7 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.816 -1.178 . . . . 10.0 113.117 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -79.84 -32.51 40.57 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.045 1.128 . . . . 10.0 114.045 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.33 24.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.781 1.401 . . . . 10.0 114.781 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -116.28 -5.73 11.82 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.741 2.016 . . . . 10.0 112.448 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.3 p -152.54 163.49 39.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.996 1.718 . . . . 10.0 111.579 169.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.22 -41.69 96.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.575 0.75 . . . . 10.0 112.988 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.05 -33.5 75.64 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.25 -39.48 71.61 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.259 -0.901 . . . . 10.0 111.641 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.71 -52.7 64.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.649 1.18 . . . . 10.0 111.738 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -49.86 -47.99 51.43 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -61.39 -41.71 97.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.947 0.794 . . . . 10.0 112.314 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.73 -44.83 88.92 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.956 0.903 . . . . 10.0 112.685 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 61.8 mt -55.8 -54.3 46.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.295 0.952 . . . . 10.0 110.832 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.45 -29.46 69.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.884 0.874 . . . . 10.0 112.511 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.79 -46.91 83.06 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.055 1.298 . . . . 10.0 111.757 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -66.0 -41.1 91.49 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.748 -0.595 . . . . 10.0 110.782 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 15.4 mm -57.86 -40.81 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 123.671 0.788 . . . . 10.0 111.591 169.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.36 -47.31 76.86 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 119.459 1.027 . . . . 10.0 111.397 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -52.0 -59.4 4.4 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.36 0.982 . . . . 10.0 110.485 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 67.0 mt -55.52 -55.38 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.424 0.689 . . . . 10.0 111.416 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -65.62 -51.23 61.16 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.351 -0.843 . . . . 10.0 112.622 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -39.0 80.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.449 1.1 . . . . 10.0 112.289 -171.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.61 -52.87 59.03 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.549 1.14 . . . . 10.0 111.42 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.7 mp -55.31 -42.14 73.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.451 0.7 . . . . 10.0 112.694 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.66 -15.88 9.02 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.85 1.426 . . . . 10.0 114.85 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -119.45 -34.94 3.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.859 1.059 . . . . 10.0 113.859 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -73.36 -8.04 54.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -115.39 -31.12 6.04 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 119.854 1.206 . . . . 10.0 113.425 169.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -63.05 -30.93 71.98 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.685 1.194 . . . . 10.0 113.613 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 84.3 p -83.78 -5.07 59.11 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.53 10.15 14.44 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.607 1.563 . . . . 10.0 113.142 -170.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--O 1.252 1.198 0 C-N-CA 125.986 1.714 . . . . 10.0 112.771 177.078 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -141.16 31.07 1.76 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.702 1.201 . . . . 10.0 112.281 -174.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -73.12 7.32 2.19 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.893 1.812 . . . . 10.0 115.893 -170.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -50.34 -33.62 24.44 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 120.39 -1.443 . . . . 10.0 115.298 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -64.78 -15.11 61.21 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.624 1.342 . . . . 10.0 114.624 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 27.2 mm -60.39 -27.27 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.125 0.97 . . . . 10.0 113.062 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.5 tp -129.84 83.84 62.76 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.446 1.498 . . . . 10.0 110.139 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.63 143.56 16.07 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 125.247 3.965 . . . . 10.0 113.364 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 45.0 p -58.03 -32.29 67.82 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.61 -45.38 68.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.484 0.713 . . . . 10.0 112.643 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.42 -37.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.081 0.552 . . . . 10.0 109.623 173.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 21.4 ttt -57.38 -55.51 33.81 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.329 -0.857 . . . . 10.0 111.374 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.47 -31.82 70.81 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.4 -57.52 9.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.298 0.639 . . . . 10.0 110.634 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.16 -34.63 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.113 -0.992 . . . . 10.0 113.375 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.37 -40.49 97.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.578 1.536 . . . . 10.0 111.361 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -79.96 -36.66 35.81 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.01 1.724 . . . . 10.0 114.96 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.24 -50.87 64.17 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -47.81 2.42 Favored Pre-proline 0 N--CA 1.476 0.854 0 N-CA-C 114.746 1.388 . . . . 10.0 114.746 -169.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -90.25 -66.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 122.083 1.855 . . . . 10.0 113.725 -170.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 67.4 m -158.81 165.47 34.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.125 2.17 . . . . 10.0 110.764 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -6.07 0.3 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 117.485 2.402 . . . . 10.0 117.485 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -57.84 153.76 13.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.87 1.268 . . . . 10.0 112.545 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -136.26 166.41 23.49 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.408 1.083 . . . . 10.0 113.068 -169.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.71 115.11 6.16 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.769 1.227 . . . . 10.0 110.255 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -172.43 32.07 0.12 Allowed Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.441 1.02 . . . . 10.0 114.518 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.6 -17.19 62.3 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.862 1.265 . . . . 10.0 114.089 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 83.4 p -147.37 167.95 12.39 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.28 1.432 . . . . 10.0 112.701 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -59.25 -7.04 4.49 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 124.415 3.41 . . . . 10.0 116.609 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.15 -10.89 60.25 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.887 1.44 . . . . 10.0 114.887 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.372 1.869 . . . . 10.0 114.509 179.045 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 119.006 -0.521 . . . . 10.0 111.76 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -46.05 -45.04 15.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.682 1.593 . . . . 10.0 114.906 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -54.66 -53.0 60.57 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.355 1.062 . . . . 10.0 112.448 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -38.22 86.61 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.955 0.798 . . . . 10.0 112.243 177.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 4.6 mm -59.86 -48.03 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.645 0.657 . . . . 10.0 110.749 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -64.98 -41.65 95.24 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 119.011 -0.519 . . . . 10.0 111.842 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.98 -46.81 78.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.851 1.26 . . . . 10.0 112.809 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.02 -43.53 98.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 10.0 111.929 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.16 -45.0 74.71 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.319 0.58 . . . . 10.0 111.558 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.22 -23.39 62.0 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.584 1.953 . . . . 10.0 113.1 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.23 -41.58 75.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.509 1.124 . . . . 10.0 112.524 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.32 -50.76 62.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.147 0.43 . . . . 10.0 111.118 169.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 65.3 mtt -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.834 0.854 . . . . 10.0 113.253 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 50.6 m -63.8 -20.17 65.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.172 1.789 . . . . 10.0 114.475 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 63.0 m -58.25 -25.14 61.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.547 1.539 . . . . 10.0 114.834 -171.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.25 -32.17 47.12 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -79.92 -24.91 40.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.535 1.134 . . . . 10.0 113.509 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -79.81 -29.7 40.34 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.651 1.18 . . . . 10.0 113.101 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.01 -25.08 60.66 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.318 1.047 . . . . 10.0 113.462 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.54 -14.22 60.6 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.54 1.936 . . . . 10.0 114.066 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -144.75 31.77 1.75 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.886 1.708 . . . . 10.0 113.213 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -62.99 -19.38 64.27 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.936 1.828 . . . . 10.0 115.936 -175.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -66.77 149.34 50.69 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.202 1.001 . . . . 10.0 113.073 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -144.31 14.31 1.63 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.919 1.288 . . . . 10.0 113.936 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.254 1.302 0 C-N-CA 126.256 1.822 . . . . 10.0 112.615 -178.156 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 112.082 -0.407 . . . . 10.0 112.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.8 t -131.94 26.19 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 125.777 1.631 . . . . 10.0 111.113 -172.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -54.46 -25.86 27.7 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 116.695 2.109 . . . . 10.0 116.695 -169.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -110.46 4.78 20.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.07 1.348 . . . . 10.0 113.293 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 79.74 -45.15 2.87 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.912 1.72 . . . . 10.0 115.487 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -66.31 -9.96 38.04 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.54 -25.51 64.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.079 1.352 . . . . 10.0 113.32 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.54 -20.84 49.74 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -86.41 2.96 45.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.687 1.195 . . . . 10.0 113.548 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.85 158.19 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.932 1.693 . . . . 10.0 111.121 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 5.4 t -139.31 158.99 43.2 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.339 1.856 . . . . 10.0 110.36 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -56.61 -31.25 64.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.952 0.901 . . . . 10.0 112.522 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.13 -40.35 95.63 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.857 0.863 . . . . 10.0 112.651 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.7 -51.09 62.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.346 1.059 . . . . 10.0 110.962 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -60.76 -40.26 91.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.806 0.842 . . . . 10.0 112.881 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.6 m -55.74 -49.46 73.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.062 0.945 . . . . 10.0 112.044 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.15 -36.2 71.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.614 0.766 . . . . 10.0 112.308 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.17 -44.88 95.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.439 -0.791 . . . . 10.0 112.307 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.11 -49.61 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.402 1.001 . . . . 10.0 110.388 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -45.72 73.18 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.271 0.628 . . . . 10.0 112.477 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.0 -40.83 52.86 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.386 1.474 . . . . 10.0 113.181 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.79 -47.72 76.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.674 1.59 . . . . 10.0 109.023 169.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.24 -38.78 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 117.938 -1.029 . . . . 10.0 113.65 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -60.31 -39.54 87.36 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.721 1.6 . . . . 10.0 112.898 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.92 72.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.687 -0.633 . . . . 10.0 112.707 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.6 mt -65.71 -43.66 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.322 1.049 . . . . 10.0 111.201 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -146.67 109.35 4.12 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.73 0.812 . . . . 10.0 111.003 170.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -60.39 -8.37 8.56 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.391 3.394 . . . . 10.0 117.307 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 43.1 p 66.2 152.6 0.12 Allowed Pre-proline 0 N--CA 1.486 1.331 0 C-N-CA 128.935 2.894 . . . . 10.0 115.567 -174.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.85 -28.21 3.44 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.833 2.355 . . . . 10.0 112.097 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -159.88 159.52 27.34 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 126.772 2.029 . . . . 10.0 110.872 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.31 -7.39 19.64 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.656 2.238 . . . . 10.0 115.02 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -90.16 -26.31 20.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.89 1.223 . . . . 10.0 112.211 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.82 64.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.612 1.096 . . . . 10.0 112.734 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 51.5 mt -54.91 -32.69 61.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.11 1.364 . . . . 10.0 113.98 171.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -87.12 -12.17 47.89 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.943 1.297 . . . . 10.0 113.833 -170.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -102.94 159.91 15.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.638 0.977 . . . . 10.0 113.638 -173.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.61 54.14 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.218 1.807 . . . . 10.0 113.245 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -52.47 -30.9 32.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.945 1.298 . . . . 10.0 113.856 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.4 tpt -96.2 -35.69 11.2 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.616 1.166 . . . . 10.0 112.16 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -56.54 -29.29 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.255 -0.903 . . . . 10.0 113.087 173.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -57.78 -43.34 85.48 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.226 -0.921 . . . . 10.0 113.108 171.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.52 -45.94 61.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.686 1.194 . . . . 10.0 111.017 174.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.77 -41.18 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.104 0.962 . . . . 10.0 112.265 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.47 96.01 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.788 1.235 . . . . 10.0 112.772 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.68 -41.84 91.98 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.574 -0.704 . . . . 10.0 111.094 172.145 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.88 86.88 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.132 -0.98 . . . . 10.0 113.147 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -61.9 -45.87 91.84 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.37 0.987 . . . . 10.0 111.933 171.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.84 -44.79 93.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.353 1.061 . . . . 10.0 112.11 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.24 -47.69 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.697 0.799 . . . . 10.0 111.337 174.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -52.22 -52.11 54.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.648 1.113 . . . . 10.0 111.629 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.89 -12.39 42.26 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.488 1.042 . . . . 10.0 115.428 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.98 -36.83 7.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 10.0 111.944 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.6 mmt -64.1 -39.2 93.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.851 . . . . 10.0 110.939 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.4 -24.07 66.25 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.401 1.88 . . . . 10.0 113.588 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -104.16 10.04 35.99 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.432 1.493 . . . . 10.0 113.137 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.1 m -118.4 11.68 13.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.083 1.353 . . . . 10.0 113.441 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.47 143.32 50.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.892 1.277 . . . . 10.0 113.147 -171.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -10.07 57.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.748 1.219 . . . . 10.0 113.62 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 76.8 p -151.91 163.55 39.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.119 1.368 . . . . 10.0 112.249 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -59.6 -39.78 85.3 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.134 0.974 . . . . 10.0 112.259 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.73 -42.11 99.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.467 1.107 . . . . 10.0 112.631 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.07 -37.15 78.34 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.322 -0.861 . . . . 10.0 112.251 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.26 -50.43 73.63 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.25 -0.907 . . . . 10.0 111.895 171.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -53.13 -47.79 68.41 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.38 -41.21 88.81 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.758 0.708 . . . . 10.0 112.223 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.25 -40.2 90.02 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.002 -0.999 . . . . 10.0 112.94 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.2 -48.99 79.55 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.569 1.077 . . . . 10.0 110.518 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.33 -29.25 69.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.165 1.386 . . . . 10.0 113.005 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.4 -42.4 87.9 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.482 1.113 . . . . 10.0 112.586 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -38.8 87.04 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.295 0.952 . . . . 10.0 111.168 174.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.9 mm -54.92 -52.39 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.249 1.02 . . . . 10.0 111.257 170.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -59.8 -45.89 90.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.718 0.807 . . . . 10.0 112.408 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -52.62 -57.28 10.53 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.909 0.777 . . . . 10.0 110.677 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 78.5 mt -56.79 -47.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.33 0.652 . . . . 10.0 111.063 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -60.98 -50.96 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . 0.469 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.7 mmpt? -71.98 -31.05 65.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.493 1.117 . . . . 10.0 113.305 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.15 -33.89 63.67 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.638 0.775 . . . . 10.0 112.931 175.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.7 mp -89.61 -44.62 9.94 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.27 -44.69 75.87 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.107 1.322 . . . . 10.0 113.519 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.57 -42.09 92.16 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.53 -0.731 . . . . 10.0 112.571 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -78.08 -7.88 57.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.803 1.241 . . . . 10.0 113.642 -177.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -116.28 -4.32 11.89 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.704 2.002 . . . . 10.0 113.335 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -135.39 37.19 2.94 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.098 1.759 . . . . 10.0 111.56 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 8.7 m -61.86 -17.21 55.64 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.057 1.873 . . . . 10.0 116.057 -169.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -149.45 -54.69 0.17 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.358 1.463 . . . . 10.0 111.597 171.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.83 2.452 . . . . 10.0 109.145 173.082 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -63.87 -18.86 64.6 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.378 1.251 . . . . 10.0 114.378 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -73.22 -14.39 61.33 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.5 1.12 . . . . 10.0 113.997 173.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 80.41 173.35 46.32 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.893 1.235 . . . . 10.0 113.785 -173.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -145.89 -38.53 0.24 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.453 1.279 . . . . 10.0 114.453 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 28.5 mm -83.14 -26.55 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.071 0.948 . . . . 10.0 112.277 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 28.4 tp -150.88 72.93 8.75 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.035 1.734 . . . . 10.0 108.197 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . 0.44 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 32.2 Cg_exo -40.7 124.8 1.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 1 C-N-CA 125.746 4.297 . . . . 10.0 113.928 175.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.2 m -57.92 -37.31 73.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.76 -36.11 79.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.689 0.796 . . . . 10.0 112.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.21 -43.69 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.767 0.827 . . . . 10.0 109.61 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 65.0 ttp -53.35 -49.91 66.13 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.63 1.172 . . . . 10.0 111.395 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.84 -39.63 65.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.444 0.698 . . . . 10.0 112.691 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.57 -44.19 78.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.75 0.82 . . . . 10.0 112.193 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.0 t -58.59 -46.85 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.726 1.148 . . . . 10.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.28 -39.65 94.35 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.858 0.754 . . . . 10.0 112.356 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.42 -34.2 63.17 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.362 0.875 . . . . 10.0 113.362 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -79.83 -48.71 13.09 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.8 p -56.16 -27.71 3.61 Favored Pre-proline 0 N--CA 1.483 1.176 0 N-CA-C 117.978 2.584 . . . . 10.0 117.978 -169.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -54.19 -15.64 8.33 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.469 2.78 . . . . 10.0 116.086 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 92.3 p -59.42 -23.2 62.45 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 170.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 42.7 tpp -76.4 53.75 0.87 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.351 1.86 . . . . 10.0 111.993 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.33 -18.53 61.67 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.681 1.993 . . . . 10.0 114.969 -170.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -59.36 148.45 32.39 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.291 1.037 . . . . 10.0 112.786 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 45.6 tp -151.92 157.34 41.67 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.833 1.653 . . . . 10.0 110.45 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -158.42 33.7 0.5 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.255 1.407 . . . . 10.0 113.945 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.54 154.72 39.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.721 1.608 . . . . 10.0 110.75 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 69.9 m -136.37 81.91 35.79 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 125.545 1.538 . . . . 10.0 111.303 -174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.19 154.02 11.68 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.137 3.225 . . . . 10.0 114.394 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -140.84 4.4 1.9 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.645 1.35 . . . . 10.0 114.645 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.476 1.91 . . . . 10.0 111.901 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.953 0.406 . . . . 10.0 111.356 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -151.7 -56.61 0.15 Allowed 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.543 -0.723 . . . . 10.0 112.646 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -57.57 -50.11 74.18 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.86 0.755 . . . . 10.0 112.041 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -56.92 -33.84 67.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.903 1.281 . . . . 10.0 113.64 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 47.4 mm -63.1 -46.51 95.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.27 1.028 . . . . 10.0 111.192 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -77.56 -36.6 52.01 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 172.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.58 -50.51 67.83 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.561 1.144 . . . . 10.0 112.09 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.1 tp -61.11 -43.33 99.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.466 1.106 . . . . 10.0 112.087 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.17 -46.31 87.76 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.128 0.571 . . . . 10.0 111.198 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 43.0 tp -72.74 -28.6 62.73 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.833 1.653 . . . . 10.0 113.914 -176.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.54 -44.88 69.56 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.432 1.093 . . . . 10.0 112.54 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.16 -52.07 60.79 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.517 0.599 . . . . 10.0 111.899 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.3 mtm -58.57 -24.28 60.48 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.949 1.092 . . . . 10.0 113.949 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 35.3 m -76.38 -19.93 57.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.026 1.33 . . . . 10.0 114.558 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.9 m -53.82 -37.97 64.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.334 1.605 . . . . 10.0 115.334 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -59.06 -21.33 58.98 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -79.96 -30.31 39.79 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.839 0.856 . . . . 10.0 112.984 169.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.1 -19.78 46.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.227 1.811 . . . . 10.0 114.262 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -10.76 0.3 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 117.5 2.408 . . . . 10.0 117.5 -169.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -71.21 34.3 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 126.052 1.741 . . . . 10.0 113.315 170.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -85.33 -172.01 48.67 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 126.182 1.848 . . . . 10.0 114.213 -177.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -141.31 173.34 11.59 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.757 1.623 . . . . 10.0 111.803 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -130.48 163.2 27.51 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.872 1.669 . . . . 10.0 110.917 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -135.7 23.32 3.37 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.23 1.412 . . . . 10.0 112.981 -173.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.903 2.081 . . . . 10.0 113.345 -174.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.412 -0.675 . . . . 10.0 111.412 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 48.6 t -138.64 142.98 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 125.962 1.705 . . . . 10.0 108.983 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -138.14 156.22 47.96 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.437 1.495 . . . . 10.0 111.916 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -67.35 166.64 14.01 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.771 1.229 . . . . 10.0 112.438 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 177.4 -29.24 0.07 OUTLIER Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.223 0.916 . . . . 10.0 114.781 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -62.2 -14.0 33.35 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.583 1.697 . . . . 10.0 115.583 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -57.59 -27.7 62.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.34 . . . . 10.0 113.641 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.45 -18.09 36.58 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -77.19 -1.2 28.23 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.694 1.198 . . . . 10.0 114.009 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.42 153.89 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.061 1.744 . . . . 10.0 110.6 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 76.9 p -127.45 158.74 36.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.951 1.701 . . . . 10.0 111.177 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -58.29 -31.89 67.9 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.571 -0.706 . . . . 10.0 112.555 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -63.33 -44.48 94.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.826 0.85 . . . . 10.0 112.051 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.33 -45.33 84.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.875 -0.583 . . . . 10.0 111.408 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -54.8 -47.6 73.8 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.215 0.916 . . . . 10.0 111.962 174.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 63.8 m -59.17 -49.43 77.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.577 1.151 . . . . 10.0 112.271 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -66.07 -44.03 85.67 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.443 0.697 . . . . 10.0 111.502 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.86 -38.51 91.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 117.787 -1.101 . . . . 10.0 112.982 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 21.6 t -54.71 -50.96 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.153 1.342 . . . . 10.0 111.133 170.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -64.88 -41.83 95.3 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.927 -0.483 . . . . 10.0 112.219 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.33 -33.94 77.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 10.0 112.87 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.4 tp -57.26 -54.74 43.36 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.483 1.113 . . . . 10.0 109.25 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.41 -45.18 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.957 1.303 . . . . 10.0 112.887 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -64.27 -33.87 76.81 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.63 70.41 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.749 0.704 . . . . 10.0 111.129 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 62.1 mt -58.91 -46.71 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.305 1.042 . . . . 10.0 110.863 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.43 100.91 5.65 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.093 0.957 . . . . 10.0 110.446 171.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -62.84 95.64 0.16 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.177 3.252 . . . . 10.0 109.971 168.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.5 t -50.51 142.64 15.13 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.848 1.659 . . . . 10.0 113.785 -170.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -62.07 -42.02 32.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.401 2.734 . . . . 10.0 111.37 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -155.19 162.44 27.25 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.059 2.144 . . . . 10.0 109.989 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.65 -21.71 51.6 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.404 2.07 . . . . 10.0 111.837 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.77 -16.0 62.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.357 1.463 . . . . 10.0 114.65 170.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -92.57 -22.92 19.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.033 0.933 . . . . 10.0 112.886 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.29 -28.76 68.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.501 1.12 . . . . 10.0 113.47 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.83 -4.86 56.18 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.712 1.375 . . . . 10.0 114.712 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.96 132.86 48.79 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.478 1.035 . . . . 10.0 110.509 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.98 -35.89 26.1 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -69.6 -36.95 76.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.558 1.143 . . . . 10.0 112.22 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.5 tpt -70.28 -37.34 74.84 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.947 0.499 . . . . 10.0 111.32 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.27 -34.95 77.55 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.175 -0.953 . . . . 10.0 113.168 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.47 -39.25 85.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.272 -0.892 . . . . 10.0 111.894 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 17.9 tp -61.45 -49.02 78.52 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.29 0.95 . . . . 10.0 111.16 170.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.5 t -51.53 -43.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.096 1.358 . . . . 10.0 112.442 173.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.17 73.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.46 1.104 . . . . 10.0 113.051 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -42.74 99.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.556 -0.715 . . . . 10.0 111.27 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.63 82.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.974 0.91 . . . . 10.0 111.721 172.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.05 -48.16 80.95 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 119.856 1.207 . . . . 10.0 112.852 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.92 -45.87 92.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.057 0.943 . . . . 10.0 112.128 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.97 -33.02 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.763 -0.636 . . . . 10.0 112.097 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -44.22 76.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.388 1.449 . . . . 10.0 111.42 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.81 -26.93 73.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 123.938 0.78 . . . . 10.0 114.429 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.77 -36.27 28.68 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.722 1.261 . . . . 10.0 111.86 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.24 -37.65 87.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.573 1.149 . . . . 10.0 111.04 172.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -62.52 -49.76 74.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.201 1.401 . . . . 10.0 112.611 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.45 -22.11 64.6 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.766 -1.208 . . . . 10.0 114.154 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.5 m -76.09 -24.42 55.02 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.02 156.22 19.84 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.109 1.151 . . . . 10.0 114.109 -170.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -117.47 -3.62 11.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.069 2.148 . . . . 10.0 112.041 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 62.3 p -152.46 162.76 40.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.91 1.684 . . . . 10.0 111.876 170.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -59.81 -40.95 90.11 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.484 0.714 . . . . 10.0 112.383 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.307 1.043 . . . . 10.0 112.149 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.94 -39.35 83.46 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.601 -0.687 . . . . 10.0 112.315 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.02 -54.22 49.37 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 10.0 111.832 173.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -51.86 -47.38 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.62 -38.62 91.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.826 0.739 . . . . 10.0 112.419 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.71 -43.41 89.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.528 1.131 . . . . 10.0 112.4 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 53.2 mt -59.13 -48.88 79.97 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.747 0.703 . . . . 10.0 111.436 170.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.13 75.09 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.917 0.887 . . . . 10.0 112.796 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.08 -44.54 84.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.178 0.991 . . . . 10.0 111.96 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -59.82 -44.01 94.25 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.129 0.877 . . . . 10.0 111.616 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 4.5 mm -60.67 -45.24 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.037 0.935 . . . . 10.0 111.451 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.75 -52.86 62.51 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.546 1.138 . . . . 10.0 111.753 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -50.4 9.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.185 2.194 . . . . 10.0 112.363 172.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.37 -54.94 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.898 0.879 . . . . 10.0 110.512 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.63 -52.73 55.91 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.82 -22.1 62.38 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.887 1.221 . . . . 10.0 113.545 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -76.73 -44.47 33.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.088 0.555 . . . . 10.0 111.79 171.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.6 mp -56.58 -41.73 77.47 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.705 0.802 . . . . 10.0 111.579 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.99 5.36 0.51 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.384 1.474 . . . . 10.0 114.766 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.99 -44.86 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.8 1.24 . . . . 10.0 112.238 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -61.48 -29.14 69.79 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.802 1.183 . . . . 10.0 114.18 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -77.13 -4.51 44.84 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.868 1.267 . . . . 10.0 114.073 173.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -119.71 -32.53 4.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.516 1.926 . . . . 10.0 112.942 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 66.2 m -134.2 101.19 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 126.846 2.058 . . . . 10.0 109.42 -170.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -54.3 -31.01 52.93 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.379 1.472 . . . . 10.0 113.756 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.251 1.159 0 C-N-CA 127.792 2.437 . . . . 10.0 113.453 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 110.68 -0.118 . . . . 10.0 110.68 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -149.81 142.3 24.38 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.196 1.398 . . . . 10.0 111.339 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -156.22 147.92 22.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.088 1.355 . . . . 10.0 111.388 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -60.39 -24.44 61.51 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.265 0.936 . . . . 10.0 114.625 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -61.19 -16.46 45.07 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.931 1.293 . . . . 10.0 114.341 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 17.2 mt -73.6 -19.44 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.953 0.901 . . . . 10.0 112.458 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 41.4 tp -151.4 80.04 6.49 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.093 1.757 . . . . 10.0 108.657 169.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -43.21 134.59 6.15 Favored 'Trans proline' 0 C--N 1.353 0.768 1 C-N-CA 125.901 4.4 . . . . 10.0 113.601 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -59.35 -38.58 80.73 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -172.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.44 -39.68 85.4 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.503 -0.748 . . . . 10.0 112.289 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -69.39 -41.15 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 123.884 0.874 . . . . 10.0 110.696 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 47.7 ttm -53.2 -55.59 23.12 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.931 0.892 . . . . 10.0 110.322 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.96 -42.21 79.71 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.85 -47.67 85.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.994 0.918 . . . . 10.0 112.552 173.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.07 -41.79 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 10.0 111.881 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.5 -33.14 75.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.355 0.979 . . . . 10.0 112.206 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.78 -42.26 50.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.174 0.99 . . . . 10.0 112.83 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -78.88 -52.41 8.34 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.081 1.141 . . . . 10.0 114.081 -174.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 76.0 p -61.09 -29.34 5.23 Favored Pre-proline 0 N--CA 1.479 1.007 0 N-CA-C 117.862 2.542 . . . . 10.0 117.862 -169.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -66.73 -10.47 28.27 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.817 2.345 . . . . 10.0 116.586 176.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 51.5 m -138.4 161.97 35.62 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -169.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 13.5 tpt -151.72 146.53 25.82 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.414 1.886 . . . . 10.0 110.022 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -66.49 -37.82 85.92 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.918 1.081 . . . . 10.0 113.918 -171.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -157.72 161.15 38.51 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.95 1.3 . . . . 10.0 112.419 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -155.0 161.9 41.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.237 1.815 . . . . 10.0 111.559 173.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 161.87 179.73 36.71 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.461 1.029 . . . . 10.0 113.796 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -76.22 -17.2 59.62 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.23 1.012 . . . . 10.0 113.249 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 60.6 p -153.74 166.24 16.12 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 125.731 1.612 . . . . 10.0 112.6 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.85 -7.79 2.62 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 124.64 3.56 . . . . 10.0 116.471 169.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -132.52 10.19 4.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.312 1.445 . . . . 10.0 112.99 -172.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.75 1.62 . . . . 10.0 113.328 174.262 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 60.8 mttt . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 112.287 0.477 . . . . 10.0 112.287 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -24.57 -62.9 0.05 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 130.476 3.51 . . . . 10.0 116.615 -169.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.85 -57.97 5.95 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.244 0.617 . . . . 10.0 111.978 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -62.16 -31.63 72.16 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.427 1.091 . . . . 10.0 112.645 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . 0.409 ' HA ' ' CE1' ' B' ' 658' ' ' TYR . 4.6 mm -54.1 -58.73 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.464 1.029 . . . . 10.0 110.677 171.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -67.3 -39.51 85.97 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.061 0.545 . . . . 10.0 111.679 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.9 -48.26 78.61 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.467 1.507 . . . . 10.0 112.506 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.55 -36.59 63.11 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.532 0.733 . . . . 10.0 112.328 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.73 -41.55 92.09 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.434 -0.791 . . . . 10.0 112.375 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.42 -31.48 72.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.312 1.445 . . . . 10.0 113.142 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 45.7 mt -57.29 -38.41 73.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.738 0.815 . . . . 10.0 112.597 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 39.6 mt -75.39 -53.81 8.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.973 0.806 . . . . 10.0 111.03 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 49.7 ttm -53.65 -35.28 60.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.865 1.266 . . . . 10.0 113.913 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 65.3 m -57.27 -24.57 55.74 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 17.8 m -56.74 -39.37 73.84 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.023 0.829 . . . . 10.0 112.815 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -28.03 69.63 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.401 -0.812 . . . . 10.0 112.917 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -79.95 -42.1 24.69 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.75 0.82 . . . . 10.0 111.484 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.54 -32.76 67.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.189 0.996 . . . . 10.0 112.52 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.41 14.22 10.13 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.36 1.864 . . . . 10.0 113.173 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.12 -43.12 1.33 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.253 1.421 . . . . 10.0 113.685 176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 143.26 -166.3 26.8 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.032 0.825 . . . . 10.0 114.793 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -74.72 51.79 0.49 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.601 1.96 . . . . 10.0 113.114 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -58.87 -17.47 24.31 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.246 1.572 . . . . 10.0 115.246 -173.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -69.96 -15.23 63.01 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.867 1.432 . . . . 10.0 114.867 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.431 1.492 . . . . 10.0 113.332 177.025 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.196 -0.762 . . . . 10.0 111.196 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 31.9 t -140.38 141.81 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.1 1.36 . . . . 10.0 110.345 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -49.96 136.12 19.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.475 1.91 . . . . 10.0 112.318 173.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -131.93 147.51 52.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.767 2.027 . . . . 10.0 109.242 173.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -50.79 -37.32 34.68 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 115.72 1.048 . . . . 10.0 115.72 -169.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -64.19 -20.5 66.06 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.872 1.434 . . . . 10.0 114.872 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -62.97 -28.11 69.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.088 0.955 . . . . 10.0 111.987 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -73.32 -1.03 16.37 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.745 1.618 . . . . 10.0 113.323 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -118.22 20.07 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.836 2.054 . . . . 10.0 112.021 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.78 130.89 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.418 1.887 . . . . 10.0 109.856 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -94.03 158.17 15.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.481 1.112 . . . . 10.0 111.651 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.05 -32.01 70.51 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.503 -0.748 . . . . 10.0 111.777 170.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -43.85 97.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.192 0.997 . . . . 10.0 112.246 174.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -47.93 83.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.165 0.586 . . . . 10.0 111.226 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -56.2 -50.62 70.71 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.633 0.773 . . . . 10.0 112.074 174.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.2 m -59.55 -49.68 76.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.608 1.163 . . . . 10.0 112.255 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.11 -41.88 85.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.72 -0.657 . . . . 10.0 111.329 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.52 -37.97 89.34 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.73 1.15 . . . . 10.0 112.734 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 37.9 t -56.64 -51.23 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.182 1.355 . . . . 10.0 110.666 169.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -36.75 73.15 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.09 -33.23 57.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.232 1.413 . . . . 10.0 112.123 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.51 -48.45 81.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.791 1.236 . . . . 10.0 110.016 169.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.94 -41.38 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.734 1.214 . . . . 10.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -60.69 -21.99 63.44 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.139 1.163 . . . . 10.0 114.139 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -110.42 15.51 22.16 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.387 1.475 . . . . 10.0 112.479 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.58 -45.2 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.476 1.511 . . . . 10.0 109.431 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -137.23 98.77 10.09 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 124.495 1.118 . . . . 10.0 108.432 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -1.67 0.86 Allowed 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 124.74 3.627 . . . . 10.0 116.639 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . 0.259 40.8 p 53.34 150.19 0.04 OUTLIER Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 131.578 3.951 . . . . 10.0 117.739 -173.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.73 -27.47 14.93 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.011 2.474 . . . . 10.0 112.047 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.14 150.12 10.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 128.095 2.558 . . . . 10.0 108.499 -171.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.24 -16.91 53.44 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.17 1.913 . . . . 10.0 113.786 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -70.44 -26.17 63.53 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.9 1.227 . . . . 10.0 113.009 169.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.14 66.63 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.84 -1.163 . . . . 10.0 113.198 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.64 -27.85 69.51 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.845 1.258 . . . . 10.0 112.562 169.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -91.61 -10.08 41.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.536 1.535 . . . . 10.0 113.443 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.85 142.69 57.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.915 0.886 . . . . 10.0 112.185 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -64.74 -21.3 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -27.97 52.13 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.117 0.967 . . . . 10.0 112.609 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -29.8 70.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.753 0.821 . . . . 10.0 112.053 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.53 -28.26 44.22 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.438 1.273 . . . . 10.0 114.438 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -66.79 -42.85 85.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.273 -0.892 . . . . 10.0 111.678 172.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.8 -40.77 79.43 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.307 1.043 . . . . 10.0 111.533 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.0 t -55.39 -49.06 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.348 1.459 . . . . 10.0 111.998 170.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.66 84.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.126 -0.984 . . . . 10.0 112.783 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -58.56 -46.2 87.39 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.243 1.017 . . . . 10.0 111.697 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.95 96.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.529 0.731 . . . . 10.0 111.961 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.47 -43.53 93.22 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.398 0.999 . . . . 10.0 112.672 172.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -60.44 -51.41 69.6 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.953 0.901 . . . . 10.0 111.133 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.57 -49.68 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.24 0.616 . . . . 10.0 111.119 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.79 -44.55 77.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.962 0.905 . . . . 10.0 112.11 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.24 93.24 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.958 0.789 . . . . 10.0 113.826 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.6 -33.09 68.72 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.92 1.36 . . . . 10.0 112.063 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.8 mmt -73.01 -40.15 65.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.413 1.085 . . . . 10.0 111.196 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -64.12 -48.37 76.35 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.293 1.437 . . . . 10.0 113.643 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.29 -13.82 42.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.875 1.435 . . . . 10.0 114.875 -174.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -126.73 -8.26 6.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.999 1.851 . . . . 10.0 115.999 -169.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 140.29 44.95 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.707 1.14 . . . . 10.0 112.604 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.09 -26.14 65.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.802 1.241 . . . . 10.0 113.743 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 92.4 p -150.24 166.34 30.21 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.596 1.558 . . . . 10.0 111.883 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -60.54 -40.65 92.32 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.813 0.845 . . . . 10.0 112.467 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.86 -44.1 94.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.148 0.979 . . . . 10.0 112.781 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.28 -36.88 80.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.379 -0.825 . . . . 10.0 112.131 175.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.13 -51.79 68.5 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 111.515 172.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -51.97 -48.05 64.54 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -62.51 -41.59 98.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.345 0.521 . . . . 10.0 112.145 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 48.8 mt -63.87 -45.38 89.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.403 1.081 . . . . 10.0 112.702 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 38.3 mt -54.57 -53.55 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.859 0.754 . . . . 10.0 110.321 171.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.89 74.25 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.959 0.904 . . . . 10.0 113.045 -175.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.13 -46.58 77.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.412 1.085 . . . . 10.0 111.606 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.588 -0.695 . . . . 10.0 111.448 171.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 6.2 mm -57.83 -39.01 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.66 0.784 . . . . 10.0 112.539 170.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . 0.409 ' CE1' ' HA ' ' A' ' 295' ' ' ILE . 4.1 t80 -64.75 -48.5 74.33 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.285 0.948 . . . . 10.0 110.849 173.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -46.72 38.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.469 1.508 . . . . 10.0 112.921 171.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 46.4 mm -70.49 -58.7 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 119.672 1.124 . . . . 10.0 112.297 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -72.66 -41.69 65.14 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -39.44 93.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.258 0.935 . . . . 10.0 111.581 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.5 -48.14 82.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.138 0.575 . . . . 10.0 111.573 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.52 -39.34 70.41 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.049 0.84 . . . . 10.0 112.18 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.94 -10.62 14.25 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.213 1.56 . . . . 10.0 115.213 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -133.85 -22.68 1.84 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -98.55 -1.14 41.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.657 1.583 . . . . 10.0 113.345 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.03 -6.42 2.36 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.233 1.413 . . . . 10.0 114.666 173.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -126.83 31.71 5.26 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.386 1.874 . . . . 10.0 111.256 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 5.0 m -61.48 89.15 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.377 2.671 . . . . 10.0 113.135 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -118.22 15.69 14.02 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.591 1.956 . . . . 10.0 112.778 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 C-N-CA 128.102 2.561 . . . . 10.0 113.095 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 111.541 0.2 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.66 -15.26 51.33 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.659 1.726 . . . . 10.0 115.659 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -129.85 27.56 5.17 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.429 1.892 . . . . 10.0 111.408 173.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -165.71 75.47 0.15 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.88 1.705 . . . . 10.0 111.626 -170.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -142.56 151.64 41.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.51 1.524 . . . . 10.0 111.026 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 2.1 mt -126.49 10.0 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.168 1.787 . . . . 10.0 111.105 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 18.9 tp -137.77 77.88 37.75 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.395 1.478 . . . . 10.0 109.581 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.47 138.85 18.09 Favored 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.772 4.315 . . . . 10.0 113.784 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 36.8 m -58.38 -36.83 74.11 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.916 1.45 . . . . 10.0 114.916 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.97 -41.26 78.15 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.489 -0.757 . . . . 10.0 112.561 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.6 -42.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.237 1.015 . . . . 10.0 110.027 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 50.8 ttp -58.01 -54.27 48.88 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.996 0.918 . . . . 10.0 111.18 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.68 -39.8 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.1 0.864 . . . . 10.0 113.112 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -64.69 -46.31 82.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.178 0.591 . . . . 10.0 112.294 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.87 -45.64 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.542 -0.724 . . . . 10.0 111.476 172.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.78 -32.46 73.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.322 0.965 . . . . 10.0 112.894 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -69.51 -47.95 62.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.288 1.035 . . . . 10.0 111.836 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -80.06 -39.6 29.44 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.659 1.726 . . . . 10.0 115.659 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 64.0 p -80.06 -9.92 0.14 Allowed Pre-proline 0 N--CA 1.485 1.288 0 N-CA-C 120.203 3.409 . . . . 10.0 120.203 -170.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.21 163.4 1.6 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 123.746 2.964 . . . . 10.0 117.104 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 9.4 t -135.39 33.98 3.02 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.332 1.853 . . . . 10.0 111.496 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -148.18 178.44 8.56 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.703 1.601 . . . . 10.0 112.175 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -136.04 141.77 44.34 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.487 1.515 . . . . 10.0 109.969 175.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -61.55 155.46 22.11 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.753 0.821 . . . . 10.0 112.994 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 94.2 mt -142.05 166.19 25.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.048 2.139 . . . . 10.0 110.206 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -169.94 25.34 0.1 Allowed Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.479 0.952 . . . . 10.0 115.479 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -75.96 -15.78 60.11 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.188 0.994 . . . . 10.0 113.582 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 31.3 m -64.19 151.79 89.65 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.505 1.522 . . . . 10.0 113.713 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.44 169.29 20.13 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.534 2.823 . . . . 10.0 112.451 171.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.52 1.42 3.41 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.441 1.496 . . . . 10.0 114.464 -173.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.046 2.139 . . . . 10.0 111.676 179.1 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.89 -158.44 0.69 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.624 0.769 . . . . 10.0 111.518 -171.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -46.23 -33.86 3.98 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.733 1.753 . . . . 10.0 115.733 -173.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -53.23 -32.1 46.58 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.616 1.166 . . . . 10.0 113.63 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.66 -52.32 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.959 0.903 . . . . 10.0 110.81 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -63.7 -39.23 93.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.187 0.595 . . . . 10.0 111.527 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.93 -52.0 65.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.397 1.479 . . . . 10.0 112.043 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.39 -43.33 99.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.794 1.238 . . . . 10.0 112.161 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.52 -45.68 78.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.366 1.066 . . . . 10.0 112.325 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.01 -26.76 63.26 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.229 1.812 . . . . 10.0 113.272 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.63 -41.92 67.22 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.965 0.906 . . . . 10.0 113.213 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.38 -54.93 37.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.687 0.795 . . . . 10.0 111.968 170.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.02 -26.89 66.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.553 1.541 . . . . 10.0 113.771 -171.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 83.2 p -58.61 -25.95 63.17 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.811 1.412 . . . . 10.0 114.811 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.6 m -59.55 -38.28 80.66 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.515 1.126 . . . . 10.0 113.849 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -63.2 -38.63 91.95 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.172 -0.955 . . . . 10.0 112.271 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -65.24 -33.93 77.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.317 1.047 . . . . 10.0 112.463 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.74 -35.83 72.86 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.452 0.701 . . . . 10.0 112.828 174.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.83 -57.08 3.03 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.161 0.984 . . . . 10.0 113.508 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -140.84 -1.72 1.39 Allowed 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 115.963 1.838 . . . . 10.0 115.963 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -89.53 17.73 50.52 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.701 1.143 . . . . 10.0 113.533 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -63.19 -24.99 68.13 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.86 1.664 . . . . 10.0 114.514 -170.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -145.06 167.1 23.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.262 1.825 . . . . 10.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -67.98 -18.21 64.66 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.62 0.97 . . . . 10.0 113.62 169.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.253 1.239 0 C-N-CA 127.215 2.206 . . . . 10.0 111.299 -179.484 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 111.783 -0.527 . . . . 10.0 111.783 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 91.1 t -136.86 114.89 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.732 1.613 . . . . 10.0 108.855 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -71.46 -15.49 62.33 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' B' ' 643' ' ' ALA . 5.6 mtpm? -74.5 43.98 0.2 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 127.002 2.121 . . . . 10.0 112.997 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -59.16 -17.68 38.76 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.632 1.587 . . . . 10.0 115.458 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -53.34 -22.1 6.79 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.662 1.585 . . . . 10.0 114.753 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.49 -28.52 59.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.162 1.385 . . . . 10.0 113.141 173.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.31 -8.15 23.31 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.979 1.311 . . . . 10.0 113.854 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -122.21 4.36 9.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.133 1.773 . . . . 10.0 112.853 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 99.6 t -81.1 152.01 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.902 1.281 . . . . 10.0 110.265 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.5 p -131.8 154.62 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.053 1.341 . . . . 10.0 110.418 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.21 -36.58 80.31 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.399 -0.813 . . . . 10.0 111.529 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -59.06 -41.18 87.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.896 0.878 . . . . 10.0 112.395 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.27 -54.32 42.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.017 0.527 . . . . 10.0 110.733 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -53.64 -47.49 70.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.408 0.683 . . . . 10.0 112.139 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.9 m -58.1 -53.03 62.86 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.297 1.039 . . . . 10.0 112.915 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -68.06 -37.02 80.82 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.026 -0.421 . . . . 10.0 112.053 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.27 -41.27 90.13 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.257 -0.877 . . . . 10.0 112.539 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.49 -48.53 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.737 1.153 . . . . 10.0 110.435 169.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.62 -45.36 92.19 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -67.13 -32.14 73.07 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.168 0.987 . . . . 10.0 112.681 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -54.27 46.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.838 0.855 . . . . 10.0 109.079 169.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.83 -46.1 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.371 1.469 . . . . 10.0 112.848 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -59.82 -38.99 83.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.787 0.721 . . . . 10.0 112.724 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.56 65.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 92.5 mt -57.9 -47.44 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.342 1.057 . . . . 10.0 110.906 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . 0.426 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 3.4 t80 -149.33 109.84 3.42 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.676 0.79 . . . . 10.0 110.453 170.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -57.17 -8.2 3.3 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 124.551 3.5 . . . . 10.0 117.289 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 72.25 147.02 0.12 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 128.787 2.835 . . . . 10.0 114.397 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.426 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 55.6 Cg_endo -85.29 -28.83 0.75 Allowed 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.795 2.997 . . . . 10.0 112.621 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -162.09 147.04 9.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 127.908 2.483 . . . . 10.0 108.994 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -67.26 -15.0 44.93 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.17 1.914 . . . . 10.0 113.999 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.26 -29.74 65.46 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 111.947 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.39 -28.26 68.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.19 -24.37 18.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.565 1.546 . . . . 10.0 114.14 175.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 0.89 13.47 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.433 1.493 . . . . 10.0 114.396 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.25 145.32 55.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.508 0.723 . . . . 10.0 109.814 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -63.28 -24.0 67.67 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.177 -0.952 . . . . 10.0 112.608 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -68.77 -17.51 64.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.519 1.527 . . . . 10.0 114.077 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 19.9 ttt -113.21 -25.89 8.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.986 0.914 . . . . 10.0 113.281 171.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -55.25 -35.41 64.95 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.632 1.56 . . . . 10.0 112.74 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -67.57 -41.82 83.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.046 0.938 . . . . 10.0 112.348 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.9 1.28 . . . . 10.0 111.309 173.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.2 t -57.51 -42.44 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 126.649 1.979 . . . . 10.0 112.022 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.46 94.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.007 . . . . 10.0 112.1 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.7 -46.84 87.96 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.663 0.665 . . . . 10.0 110.722 170.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.63 85.79 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.172 0.896 . . . . 10.0 112.159 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.68 -44.71 95.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.619 0.768 . . . . 10.0 112.743 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.83 -43.56 98.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.286 1.034 . . . . 10.0 112.198 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.69 -53.56 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.409 1.084 . . . . 10.0 110.475 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -55.5 -45.03 77.08 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.381 0.672 . . . . 10.0 112.307 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.44 74.69 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.131 0.872 . . . . 10.0 114.833 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -84.49 -36.83 21.98 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.821 1.311 . . . . 10.0 111.724 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 34.6 mmt -66.6 -36.76 83.39 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.211 1.004 . . . . 10.0 111.097 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.9 -34.73 70.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.796 1.638 . . . . 10.0 113.348 170.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -89.82 -2.29 58.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.4 m -106.23 11.41 31.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.943 1.297 . . . . 10.0 113.72 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . 0.41 ' O ' ' HE2' ' B' ' 589' ' ' LYS . . . -134.18 129.53 35.92 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.491 1.116 . . . . 10.0 113.418 -170.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -14.28 60.53 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 74.0 p -145.97 161.64 39.62 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.497 1.519 . . . . 10.0 111.905 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -33.79 75.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.833 0.853 . . . . 10.0 112.365 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.25 -44.39 88.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.755 1.222 . . . . 10.0 112.633 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.61 -37.76 85.54 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.402 -0.811 . . . . 10.0 111.844 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.15 -51.68 68.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.092 0.957 . . . . 10.0 111.992 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.2 -45.47 68.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.54 -41.58 90.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.695 0.68 . . . . 10.0 112.006 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.64 -47.81 77.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.429 0.692 . . . . 10.0 112.483 172.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 26.1 mt -57.73 -45.55 85.63 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.511 1.051 . . . . 10.0 111.78 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.09 76.63 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.784 0.834 . . . . 10.0 112.468 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.06 -43.71 98.47 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.815 0.734 . . . . 10.0 110.672 169.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -65.85 -41.23 91.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.565 0.746 . . . . 10.0 111.911 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.6 mt -56.87 -51.81 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.305 0.957 . . . . 10.0 110.178 169.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.89 -49.83 75.39 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.678 0.791 . . . . 10.0 111.958 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -53.66 -55.04 29.49 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.931 0.892 . . . . 10.0 111.258 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.25 -49.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.311 0.505 . . . . 10.0 109.731 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.45 -44.67 92.9 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.511 -0.743 . . . . 10.0 112.618 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.6 mmpt? -72.14 -41.39 67.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.272 1.029 . . . . 10.0 113.146 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.11 -48.36 82.04 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.994 0.918 . . . . 10.0 111.071 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.85 -52.67 64.73 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.855 0.862 . . . . 10.0 111.201 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.3 -43.67 79.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.596 0.758 . . . . 10.0 112.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.33 -45.16 73.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.256 -0.903 . . . . 10.0 113.055 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -66.13 -29.42 69.72 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -73.53 -36.96 65.76 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.861 1.264 . . . . 10.0 112.736 171.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -73.91 -31.26 63.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.126 1.37 . . . . 10.0 113.54 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 49.7 m -124.5 40.55 3.71 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.005 1.722 . . . . 10.0 111.701 -173.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -59.63 -20.62 57.29 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.906 2.083 . . . . 10.0 116.506 -172.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.012 2.125 . . . . 10.0 111.236 -179.67 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.75 0.31 . . . . 10.0 111.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -124.48 15.69 8.9 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.232 1.413 . . . . 10.0 114.397 -169.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -67.52 -10.88 55.84 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 115.418 1.636 . . . . 10.0 115.418 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -173.79 -28.71 0.03 OUTLIER Glycine 0 N--CA 1.475 1.286 0 N-CA-C 116.217 1.247 . . . . 10.0 116.217 178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.67 -17.25 20.92 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.58 -26.14 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.247 1.419 . . . . 10.0 113.123 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.3 tp -159.16 77.6 3.04 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.652 1.181 . . . . 10.0 110.189 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 80.1 Cg_exo -46.53 128.69 12.98 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 125.231 3.954 . . . . 10.0 112.812 173.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.5 p -60.91 -39.56 89.82 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -171.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.88 -34.78 78.54 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.359 -0.838 . . . . 10.0 112.684 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 89.6 mt -76.2 -41.55 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.993 1.317 . . . . 10.0 110.196 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.1 ttt -53.38 -47.46 69.47 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.799 1.24 . . . . 10.0 111.575 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.84 -41.92 71.31 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.832 0.742 . . . . 10.0 112.918 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -65.93 -41.26 91.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.746 0.819 . . . . 10.0 112.254 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.03 -42.87 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.267 -0.896 . . . . 10.0 111.789 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.27 -31.89 73.27 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.044 0.838 . . . . 10.0 112.308 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -71.56 -43.94 65.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.054 0.942 . . . . 10.0 112.286 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -80.01 -47.16 15.37 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -174.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 47.7 p -65.09 -33.25 7.72 Favored Pre-proline 0 N--CA 1.48 1.031 0 N-CA-C 117.864 2.542 . . . . 10.0 117.864 -169.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.96 -6.66 13.22 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 CA-C-N 123.352 2.233 . . . . 10.0 114.615 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 48.8 m -74.48 43.32 0.18 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.118 1.767 . . . . 10.0 114.984 -173.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 49.7 ttm -57.07 -19.79 21.18 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.119 1.767 . . . . 10.0 114.544 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -64.04 -19.49 65.24 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.276 1.431 . . . . 10.0 113.893 174.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.93 171.54 4.37 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.741 1.217 . . . . 10.0 113.655 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.22 153.3 22.55 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.601 1.16 . . . . 10.0 112.295 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 160.43 -1.75 0.08 OUTLIER Glycine 0 CA--C 1.539 1.552 0 N-CA-C 116.471 1.348 . . . . 10.0 116.471 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.71 152.97 21.39 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.118 1.459 . . . . 10.0 112.937 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 79.8 p -148.89 162.47 29.27 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 125.31 1.444 . . . . 10.0 112.22 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.63 156.51 14.41 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.868 3.046 . . . . 10.0 115.033 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -132.71 1.9 3.7 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.19 1.396 . . . . 10.0 112.815 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.7 2.0 . . . . 10.0 113.88 178.793 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -48.08 -39.29 19.74 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.904 1.816 . . . . 10.0 115.904 -169.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -59.02 -60.09 4.43 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.059 0.845 . . . . 10.0 111.831 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -30.54 71.04 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.458 1.026 . . . . 10.0 112.915 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 22.9 mm -65.06 -46.33 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.391 1.076 . . . . 10.0 110.548 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.73 -38.17 76.78 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.987 0.515 . . . . 10.0 112.142 170.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.27 -45.09 94.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.933 1.293 . . . . 10.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.45 -43.35 99.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.479 0.712 . . . . 10.0 111.647 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.12 -46.34 84.57 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.672 0.789 . . . . 10.0 111.437 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.58 -32.44 73.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.072 2.149 . . . . 10.0 113.583 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.01 -39.79 66.41 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.449 1.022 . . . . 10.0 113.622 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.82 -20.76 48.95 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.949 0.899 . . . . 10.0 113.052 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 58.0 ttm -80.02 -36.94 35.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.203 0.911 . . . . 10.0 110.912 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 73.9 m -51.01 -35.75 35.76 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.307 1.043 . . . . 10.0 111.74 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 27.2 m -50.58 -43.66 56.56 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.008 1.323 . . . . 10.0 113.752 175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.17 -30.7 67.9 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.933 -1.104 . . . . 10.0 111.464 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -80.11 -21.86 42.78 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.291 1.436 . . . . 10.0 114.008 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -72.58 -19.98 61.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.827 1.251 . . . . 10.0 112.712 170.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 10.1 mp -113.19 38.94 2.7 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.735 2.014 . . . . 10.0 113.12 -169.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.46 -22.23 42.19 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 114.859 1.429 . . . . 10.0 114.859 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -175.31 -175.13 42.5 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.263 1.411 . . . . 10.0 112.93 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -137.8 1.11 2.28 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -155.4 169.03 25.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.688 1.595 . . . . 10.0 111.799 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.77 157.56 27.22 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.984 0.913 . . . . 10.0 112.804 171.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.457 1.903 . . . . 10.0 112.999 177.507 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.56 112.53 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.265 1.026 . . . . 10.0 110.385 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -72.25 -30.98 65.39 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.21 1.004 . . . . 10.0 112.971 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -65.99 165.28 13.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.318 1.447 . . . . 10.0 112.956 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -116.94 18.4 12.55 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.89 1.233 . . . . 10.0 115.528 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -127.21 -10.89 5.85 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.66 1.726 . . . . 10.0 115.66 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -66.68 -24.76 66.31 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.314 -0.866 . . . . 10.0 113.284 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -18.11 63.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -94.26 -17.07 23.03 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.272 1.429 . . . . 10.0 112.874 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.52 150.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.337 1.455 . . . . 10.0 111.148 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 52.0 p -127.43 155.78 43.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.165 1.386 . . . . 10.0 110.583 171.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -58.88 -40.33 84.09 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.645 -0.66 . . . . 10.0 111.555 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.49 -35.1 79.34 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.31 -47.94 83.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.086 0.555 . . . . 10.0 111.358 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -59.48 -50.37 74.2 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.816 0.846 . . . . 10.0 111.257 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.7 m -56.21 -51.6 67.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.414 1.085 . . . . 10.0 112.927 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.45 -41.68 84.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.927 0.491 . . . . 10.0 111.472 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.23 -38.57 88.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 117.489 -1.243 . . . . 10.0 112.863 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.31 -49.86 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.64 1.564 . . . . 10.0 110.541 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -61.68 -48.17 82.03 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -68.02 -26.88 66.11 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.599 -0.688 . . . . 10.0 112.705 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.2 -55.45 34.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 168.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.22 -46.14 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.442 1.097 . . . . 10.0 112.192 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -58.65 -40.74 84.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.21 57.09 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.689 -0.632 . . . . 10.0 111.896 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.02 -46.14 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.878 1.271 . . . . 10.0 111.165 -175.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -144.6 104.86 4.6 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 123.828 0.851 . . . . 10.0 109.251 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -58.18 -10.84 8.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 124.497 3.465 . . . . 10.0 116.757 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 70.3 p 61.1 148.28 0.08 OUTLIER Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 129.436 3.095 . . . . 10.0 115.836 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 -34.53 9.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.925 2.417 . . . . 10.0 112.347 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -156.32 158.91 31.7 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.168 2.587 . . . . 10.0 109.165 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.19 -16.21 39.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.684 2.256 . . . . 10.0 113.402 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.54 71.41 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.309 -0.87 . . . . 10.0 112.284 169.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.63 58.62 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.571 0.952 . . . . 10.0 113.571 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 74.3 mt -56.62 -21.72 29.05 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.483 1.513 . . . . 10.0 113.539 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -121.56 14.65 11.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.153 1.781 . . . . 10.0 113.945 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.59 143.97 48.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.163 0.985 . . . . 10.0 111.641 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -11.57 2.48 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.791 2.145 . . . . 10.0 116.791 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -107.43 -20.69 13.18 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.716 1.606 . . . . 10.0 113.004 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.35 -34.71 78.78 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.393 0.997 . . . . 10.0 110.227 169.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -52.57 -37.71 58.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.91 1.284 . . . . 10.0 114.185 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.18 -40.95 82.11 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.572 -0.705 . . . . 10.0 111.294 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.0 -36.68 80.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.811 0.845 . . . . 10.0 112.47 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.01 -42.65 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.807 1.643 . . . . 10.0 111.294 173.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.81 93.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.241 -0.912 . . . . 10.0 112.257 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -59.01 -46.16 88.88 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.078 0.951 . . . . 10.0 112.061 170.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.9 99.36 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.403 -0.811 . . . . 10.0 111.838 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.23 -42.37 99.25 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.33 0.968 . . . . 10.0 112.715 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.66 -48.29 77.81 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.91 1.284 . . . . 10.0 111.975 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.67 -49.75 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.102 0.961 . . . . 10.0 110.187 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.03 -44.75 83.21 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.127 0.876 . . . . 10.0 112.59 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.06 83.56 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.876 0.75 . . . . 10.0 114.025 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.77 -40.52 63.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.753 1.276 . . . . 10.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.9 mmt -66.85 -35.15 79.38 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.335 1.054 . . . . 10.0 111.502 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -64.16 -50.88 66.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.361 1.464 . . . . 10.0 112.551 171.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.78 -25.65 67.35 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.6 m -78.15 -7.29 56.86 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.57 140.66 37.23 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.751 1.019 . . . . 10.0 113.751 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -90.97 -11.14 39.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.206 1.802 . . . . 10.0 112.335 174.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.9 p -149.49 162.41 40.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.403 1.481 . . . . 10.0 112.837 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -57.16 -40.96 78.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.293 1.037 . . . . 10.0 112.103 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.62 -43.85 95.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.677 1.191 . . . . 10.0 112.461 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.46 -37.64 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.399 -0.813 . . . . 10.0 112.187 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.41 -54.93 41.42 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.281 1.032 . . . . 10.0 111.794 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.03 -47.87 53.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.863 0.865 . . . . 10.0 112.262 169.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -64.99 -41.68 95.19 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.325 -0.859 . . . . 10.0 112.188 -176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.1 -42.91 99.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.45 1.1 . . . . 10.0 112.189 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.4 -52.95 63.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.622 0.646 . . . . 10.0 111.571 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.99 76.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.37 -48.06 74.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.19 -0.944 . . . . 10.0 112.428 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -68.47 -30.07 68.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.215 -0.928 . . . . 10.0 111.443 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.73 -48.49 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.389 1.076 . . . . 10.0 111.586 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.84 -47.33 85.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.578 0.751 . . . . 10.0 111.603 172.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -54.5 24.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.545 1.538 . . . . 10.0 111.907 176.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.33 -50.22 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.042 1.337 . . . . 10.0 110.987 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.27 -46.46 86.71 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.967 0.507 . . . . 10.0 112.057 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.73 62.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.567 1.147 . . . . 10.0 113.267 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -63.88 -39.96 95.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.93 0.492 . . . . 10.0 112.29 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.86 -40.09 9.9 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.61 -44.15 76.77 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.335 0.971 . . . . 10.0 113.368 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.27 -21.42 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.576 -1.327 . . . . 10.0 113.665 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -90.38 -10.55 43.53 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.809 1.244 . . . . 10.0 113.349 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -126.95 -8.33 6.03 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.24 1.816 . . . . 10.0 113.659 -170.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -139.83 18.43 2.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.859 2.064 . . . . 10.0 112.366 -175.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 63.9 p -53.82 -27.69 30.95 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.395 1.878 . . . . 10.0 115.888 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -66.8 -15.34 63.52 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.939 1.696 . . . . 10.0 111.146 -172.824 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.62 0.248 . . . . 10.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -136.8 10.1 3.1 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.659 1.583 . . . . 10.0 112.74 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -148.01 163.02 38.15 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.274 1.429 . . . . 10.0 112.483 -177.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 174.3 -179.31 45.72 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.138 1.351 . . . . 10.0 112.893 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -151.17 177.44 10.2 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.852 1.261 . . . . 10.0 111.497 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 29.6 mm -57.9 -28.88 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.704 1.202 . . . . 10.0 113.783 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.2 tp -123.43 86.1 52.23 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 127.119 2.168 . . . . 10.0 109.933 -173.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.44 137.95 24.66 Favored 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 125.497 4.131 . . . . 10.0 113.715 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 34.6 p -58.21 -37.63 75.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.58 -37.07 84.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.631 0.772 . . . . 10.0 112.851 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.52 -43.46 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 10.0 110.25 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 42.3 ttp -54.37 -48.73 71.16 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.741 1.217 . . . . 10.0 111.528 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -53.23 -38.31 62.82 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.35 -42.33 96.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.726 -0.609 . . . . 10.0 112.255 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 11.3 t -69.18 -44.41 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.619 0.768 . . . . 10.0 110.938 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 44.1 mt -59.12 -43.06 91.93 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.345 0.975 . . . . 10.0 112.511 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -67.96 -41.07 82.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.888 0.875 . . . . 10.0 112.905 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -80.12 -35.16 37.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -175.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 49.7 p -80.13 -10.54 0.16 Allowed Pre-proline 0 N--CA 1.481 1.077 0 N-CA-C 120.632 3.567 . . . . 10.0 120.632 -169.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.49 124.09 10.84 Favored 'Trans proline' 0 C--N 1.359 1.107 0 CA-C-N 125.076 2.848 . . . . 10.0 111.818 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 45.5 p -71.59 -21.46 61.86 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.234 1.198 . . . . 10.0 114.234 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 28.3 ttt -158.88 141.54 14.27 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.275 1.83 . . . . 10.0 110.147 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -77.98 132.35 37.81 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.483 0.713 . . . . 10.0 111.023 170.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -154.63 162.01 41.33 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.964 1.306 . . . . 10.0 111.903 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -129.68 143.47 50.83 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.763 1.625 . . . . 10.0 110.312 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 156.88 169.96 21.36 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.106 1.336 . . . . 10.0 113.432 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -144.67 158.26 43.85 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.792 1.637 . . . . 10.0 111.037 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 43.2 m -65.7 152.92 91.96 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.293 1.037 . . . . 10.0 112.655 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -51.51 143.13 36.89 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.808 3.005 . . . . 10.0 113.836 171.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.93 -9.31 40.5 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.077 1.14 . . . . 10.0 114.077 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.44 1.896 . . . . 10.0 112.013 -176.903 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 113.109 0.781 . . . . 10.0 113.109 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -51.36 -32.03 24.31 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.029 2.531 . . . . 10.0 115.392 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.45 -48.78 78.24 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.735 0.814 . . . . 10.0 112.354 174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -67.34 -34.02 76.46 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.106 0.866 . . . . 10.0 111.953 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 20.5 mm -61.16 -50.5 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 118.648 0.658 . . . . 10.0 110.199 177.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.54 -39.52 91.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.544 0.738 . . . . 10.0 112.338 174.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.38 -56.3 21.66 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.606 1.162 . . . . 10.0 112.013 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.07 -38.64 86.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.516 0.598 . . . . 10.0 112.099 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.18 -42.23 90.32 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.091 0.859 . . . . 10.0 111.627 174.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.15 -29.01 67.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.881 1.273 . . . . 10.0 113.706 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 53.1 mt -53.92 -40.8 67.03 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.042 1.292 . . . . 10.0 112.755 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.44 -45.71 24.88 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 171.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.5 mtm -64.1 -26.03 68.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 98.6 p -66.7 -19.96 65.87 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -53.04 -28.67 25.59 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.598 1.703 . . . . 10.0 115.598 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.84 -35.63 66.63 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.811 -1.181 . . . . 10.0 113.863 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -73.69 -32.1 63.77 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.692 0.797 . . . . 10.0 112.349 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.81 -32.36 69.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.862 1.265 . . . . 10.0 112.289 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.21 -11.26 60.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.106 0.962 . . . . 10.0 113.34 169.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -117.82 23.6 11.58 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.425 1.89 . . . . 10.0 111.736 -177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -147.27 -158.51 7.88 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 126.56 2.029 . . . . 10.0 112.419 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -118.62 40.82 3.14 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.604 1.562 . . . . 10.0 111.046 -173.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -53.7 141.7 25.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.35 1.46 . . . . 10.0 112.852 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -152.64 167.85 27.56 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.88 1.672 . . . . 10.0 111.868 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.224 1.41 . . . . 10.0 114.287 175.61 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.074 -0.81 . . . . 10.0 111.074 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.11 142.63 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.508 1.123 . . . . 10.0 110.946 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -145.98 150.39 35.94 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.847 1.659 . . . . 10.0 110.407 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -65.57 164.6 13.85 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.822 1.249 . . . . 10.0 112.992 172.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 170.69 -30.42 0.13 Allowed Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.316 0.96 . . . . 10.0 114.612 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -62.57 -13.87 36.0 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.699 1.74 . . . . 10.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.91 -23.3 66.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.226 1.41 . . . . 10.0 114.013 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.05 -16.18 40.77 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.677 1.362 . . . . 10.0 114.677 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -94.79 13.94 22.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.33 1.452 . . . . 10.0 113.372 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.03 147.09 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.763 1.625 . . . . 10.0 110.353 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 97.7 m -135.59 153.47 51.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.295 1.838 . . . . 10.0 110.166 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -51.13 -42.75 60.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.41 -39.49 67.33 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.98 0.809 . . . . 10.0 112.891 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 42.2 tp -68.67 -47.83 65.5 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.242 0.617 . . . . 10.0 111.07 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -52.24 -51.61 57.33 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.364 1.066 . . . . 10.0 112.243 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.6 m -55.25 -47.01 76.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.105 1.362 . . . . 10.0 112.383 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -69.28 -43.81 73.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.553 0.741 . . . . 10.0 111.874 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.84 -35.69 81.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.392 0.996 . . . . 10.0 112.862 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.19 -51.73 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.323 0.965 . . . . 10.0 110.69 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -61.9 -38.13 87.21 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.737 -0.602 . . . . 10.0 112.297 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -66.65 -34.25 77.46 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.69 1.196 . . . . 10.0 112.549 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.15 66.68 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.113 0.965 . . . . 10.0 108.97 168.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.77 -46.39 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.726 1.21 . . . . 10.0 113.265 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -60.88 -37.46 82.26 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.4 -28.83 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.87 -49.94 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.395 1.078 . . . . 10.0 110.254 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -140.4 100.09 6.99 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.724 0.809 . . . . 10.0 110.587 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -68.35 93.69 0.42 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.644 2.896 . . . . 10.0 108.804 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 7.7 p -54.75 147.64 30.45 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.613 1.565 . . . . 10.0 114.477 -171.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.89 -32.55 17.83 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.898 2.399 . . . . 10.0 112.394 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -152.73 159.84 31.9 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 127.24 2.216 . . . . 10.0 110.084 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.58 -21.22 39.96 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.854 2.369 . . . . 10.0 112.27 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.53 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.392 -0.818 . . . . 10.0 111.556 169.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.0 85.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.801 0.84 . . . . 10.0 112.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.29 -46.16 91.45 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.169 1.387 . . . . 10.0 112.216 172.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.31 -31.04 65.35 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.636 1.174 . . . . 10.0 113.862 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.38 141.55 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.955 1.302 . . . . 10.0 113.242 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -23.37 6.26 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.118 1.895 . . . . 10.0 116.118 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.0 -33.62 72.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.499 1.045 . . . . 10.0 113.018 172.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.6 tpt -77.87 -34.19 51.73 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.175 0.99 . . . . 10.0 112.002 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.18 -30.22 61.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.39 0.885 . . . . 10.0 113.39 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -61.64 -38.92 89.48 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.599 1.16 . . . . 10.0 112.645 173.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.76 -45.98 40.28 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.04 1.336 . . . . 10.0 111.574 171.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.3 t -55.53 -39.69 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.498 1.119 . . . . 10.0 112.306 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.01 92.38 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.521 1.128 . . . . 10.0 112.54 175.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.04 -43.45 92.3 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.601 -0.687 . . . . 10.0 110.63 171.774 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.57 86.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.133 0.879 . . . . 10.0 112.437 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -60.32 -47.66 85.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.309 0.958 . . . . 10.0 112.447 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.53 -45.09 95.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.222 1.009 . . . . 10.0 112.251 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.47 -52.39 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.267 1.027 . . . . 10.0 110.758 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.75 -44.16 69.74 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.364 0.983 . . . . 10.0 112.219 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.94 -32.79 81.95 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.01 0.814 . . . . 10.0 113.95 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.38 -35.94 58.37 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.128 1.464 . . . . 10.0 111.814 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.2 mmt -66.68 -39.64 88.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.908 0.883 . . . . 10.0 110.796 173.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.3 -48.38 75.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.144 1.378 . . . . 10.0 112.892 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -66.63 -20.7 66.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.148 1.166 . . . . 10.0 114.148 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.1 p -104.77 -26.68 12.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.14 130.48 43.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.882 0.873 . . . . 10.0 113.259 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -77.39 -10.47 59.47 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 25.1 p -149.91 163.63 37.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.684 1.194 . . . . 10.0 112.539 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -63.48 -36.47 83.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.104 1.362 . . . . 10.0 113.093 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.33 -44.14 76.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.15 0.98 . . . . 10.0 111.457 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.26 -35.98 82.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.276 0.63 . . . . 10.0 111.831 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.58 -57.06 14.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.651 1.18 . . . . 10.0 112.57 173.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.17 -44.8 71.82 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -58.85 -43.0 90.65 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.505 0.593 . . . . 10.0 112.108 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.29 -43.59 85.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.372 1.069 . . . . 10.0 112.64 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.18 -48.77 75.73 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.348 0.976 . . . . 10.0 111.294 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -36.92 78.05 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.12 -42.83 99.63 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.389 -0.819 . . . . 10.0 111.296 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -41.15 95.43 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.841 -1.076 . . . . 10.0 112.858 174.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.2 mt -53.05 -54.55 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.382 0.992 . . . . 10.0 109.425 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -40.5 68.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.505 -0.759 . . . . 10.0 112.333 -169.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -47.17 63.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.094 0.861 . . . . 10.0 111.646 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 59.7 mt -59.44 -49.15 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.765 0.426 . . . . 10.0 110.732 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -76.46 -49.98 15.25 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -169.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . 0.284 22.1 ptmt -70.63 -17.09 62.88 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 120.665 1.575 . . . . 10.0 113.467 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -78.29 -43.63 27.5 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.615 0.643 . . . . 10.0 110.432 168.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.36 -36.25 77.58 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.038 -1.039 . . . . 10.0 112.995 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.1 -22.36 39.02 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.011 0.924 . . . . 10.0 113.41 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.26 -47.2 7.33 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.56 1.144 . . . . 10.0 112.183 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -70.0 -8.58 50.24 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -110.67 10.28 22.82 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.691 1.996 . . . . 10.0 112.998 170.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -128.86 -21.85 3.31 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.955 1.702 . . . . 10.0 113.82 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 63.5 m -70.95 80.17 0.65 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.017 1.727 . . . . 10.0 113.01 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.24 -23.42 65.7 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.828 1.251 . . . . 10.0 114.212 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.558 1.943 . . . . 10.0 111.857 179.315 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.774 -0.084 . . . . 10.0 110.774 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.06 -31.93 69.79 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.844 0.857 . . . . 10.0 113.161 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -153.02 170.06 21.36 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.422 1.889 . . . . 10.0 110.88 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -58.87 114.17 5.77 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.329 0.966 . . . . 10.0 113.364 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -138.88 5.95 2.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.208 1.403 . . . . 10.0 113.85 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 37.2 mm -64.19 -22.21 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.345 1.458 . . . . 10.0 113.407 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.5 tp -147.7 84.41 7.05 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 125.894 1.677 . . . . 10.0 107.986 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . 0.444 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 39.4 Cg_exo -48.11 6.25 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.135 2 C-N-CA 129.423 6.749 . . . . 10.0 122.719 -169.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 25.4 m 65.31 -50.02 0.36 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.387 2.275 . . . . 10.0 115.392 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.33 -46.38 73.66 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.923 -1.111 . . . . 10.0 111.792 174.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.59 -35.3 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 122.904 0.482 . . . . 10.0 110.431 170.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 26.1 ttt -55.75 -49.96 71.68 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.221 0.919 . . . . 10.0 111.468 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.74 -42.04 71.14 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 10.0 112.918 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.38 -47.86 83.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.429 1.092 . . . . 10.0 112.515 172.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.32 -43.44 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.472 1.033 . . . . 10.0 111.035 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.79 -36.11 82.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.064 0.847 . . . . 10.0 112.647 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.83 -40.04 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.195 0.998 . . . . 10.0 112.977 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -79.98 -36.13 36.49 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.116 1.525 . . . . 10.0 115.116 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 32.8 p -73.22 -36.18 3.1 Favored Pre-proline 0 N--CA 1.481 1.103 0 N-CA-C 117.343 2.349 . . . . 10.0 117.343 -171.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -84.47 169.22 11.08 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 122.597 2.198 . . . . 10.0 112.968 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 16.4 m -70.72 23.67 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.845 2.058 . . . . 10.0 115.276 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 28.2 ptm -137.15 32.98 2.6 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.393 1.877 . . . . 10.0 112.227 -172.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -50.09 127.86 17.69 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.703 1.601 . . . . 10.0 113.205 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -155.11 162.06 41.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.624 1.57 . . . . 10.0 111.211 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 52.8 tp -152.16 -47.65 0.11 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.174 0.989 . . . . 10.0 112.854 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 162.51 178.16 36.13 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.678 1.133 . . . . 10.0 113.666 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.09 146.22 54.92 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.186 0.995 . . . . 10.0 111.967 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 70.1 m -61.12 129.63 90.75 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 124.046 0.938 . . . . 10.0 112.152 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.58 145.28 48.58 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.575 2.85 . . . . 10.0 113.949 173.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.81 -17.1 56.26 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.661 1.984 . . . . 10.0 111.791 -175.443 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 119.367 -0.349 . . . . 10.0 110.237 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -154.35 -76.08 0.11 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.682 0.674 . . . . 10.0 112.022 169.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -59.18 -54.26 49.0 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.279 1.032 . . . . 10.0 113.039 -172.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.73 -30.78 69.06 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.881 0.873 . . . . 10.0 113.329 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.47 -50.82 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.105 0.562 . . . . 10.0 110.891 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.26 -41.06 99.0 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 119.133 -0.461 . . . . 10.0 111.146 172.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -55.58 -46.34 77.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.206 1.402 . . . . 10.0 112.841 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.86 -44.47 80.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.637 0.775 . . . . 10.0 112.217 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.08 -42.07 80.96 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.641 -0.662 . . . . 10.0 111.609 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.2 tp -71.5 -26.3 62.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.524 1.93 . . . . 10.0 112.876 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -42.05 60.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.183 1.393 . . . . 10.0 113.164 -178.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.72 -54.9 15.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.689 1.196 . . . . 10.0 111.62 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 40.9 ttm -58.73 -31.99 68.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.631 1.173 . . . . 10.0 114.111 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.7 m -61.92 -19.86 63.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.838 1.655 . . . . 10.0 114.686 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 44.6 m -55.6 -23.05 25.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.106 1.362 . . . . 10.0 114.255 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -52.39 -29.99 26.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.93 1.241 . . . . 10.0 113.675 172.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -72.37 -38.6 68.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.127 0.971 . . . . 10.0 112.42 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.35 -27.07 64.05 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.375 1.07 . . . . 10.0 112.994 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.66 -8.06 9.12 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.054 -1.029 . . . . 10.0 113.505 169.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -134.53 23.39 3.7 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.806 2.043 . . . . 10.0 111.89 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -176.78 41.56 0.1 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.256 0.931 . . . . 10.0 114.146 -171.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -63.91 163.65 11.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.791 1.236 . . . . 10.0 114.187 -174.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -134.89 11.93 3.64 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.545 1.538 . . . . 10.0 113.453 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -74.71 -3.23 30.2 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.427 1.491 . . . . 10.0 114.961 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.046 2.139 . . . . 10.0 113.098 -173.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 112.152 -0.379 . . . . 10.0 112.152 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 89.6 t -139.12 135.5 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.887 1.675 . . . . 10.0 109.587 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -101.67 -21.3 14.7 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.844 1.258 . . . . 10.0 113.954 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -64.94 163.37 14.65 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.972 1.309 . . . . 10.0 112.671 169.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -150.47 31.98 1.03 Allowed Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.986 1.279 . . . . 10.0 114.422 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -118.43 -5.09 10.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.991 1.316 . . . . 10.0 114.049 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.59 -22.9 66.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.732 1.213 . . . . 10.0 111.981 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -60.53 -19.28 56.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.265 2.226 . . . . 10.0 113.586 173.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -90.33 6.81 41.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.059 1.344 . . . . 10.0 113.247 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.81 160.4 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.655 1.982 . . . . 10.0 110.322 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.7 t -146.23 157.55 43.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.987 1.315 . . . . 10.0 111.401 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -57.54 -34.38 69.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.713 1.205 . . . . 10.0 113.261 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.34 -36.17 82.8 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.473 -0.767 . . . . 10.0 112.354 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.51 -48.97 62.99 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 118.951 -0.547 . . . . 10.0 110.538 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -51.81 -47.34 64.32 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.47 0.708 . . . . 10.0 111.675 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 52.9 m -58.22 -50.74 72.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.003 1.321 . . . . 10.0 112.632 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.87 -38.23 82.82 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.945 -0.472 . . . . 10.0 111.832 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.93 -40.12 94.41 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.888 -1.133 . . . . 10.0 111.936 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.79 -48.52 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.939 1.245 . . . . 10.0 110.964 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -57.63 -40.97 80.4 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -70.97 -36.11 72.4 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.992 0.917 . . . . 10.0 112.895 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.39 -52.79 64.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.588 1.155 . . . . 10.0 110.045 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.53 -47.81 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.015 1.726 . . . . 10.0 113.104 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.74 -30.93 69.66 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.1 73.74 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.038 0.835 . . . . 10.0 111.878 171.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 57.8 mt -64.05 -51.38 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.049 0.94 . . . . 10.0 110.96 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -146.14 104.46 4.11 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.756 0.823 . . . . 10.0 110.733 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.7 -12.55 21.98 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.265 3.31 . . . . 10.0 116.575 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 66.5 p 64.13 147.84 0.1 OUTLIER Pre-proline 0 N--CA 1.484 1.228 0 C-N-CA 129.085 2.954 . . . . 10.0 115.198 -169.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.08 -34.0 10.91 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.785 2.323 . . . . 10.0 112.353 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -157.09 159.49 31.14 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 128.245 2.618 . . . . 10.0 109.065 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.29 -18.9 44.59 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.771 2.314 . . . . 10.0 113.19 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.59 73.68 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.625 0.77 . . . . 10.0 112.721 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -70.79 -21.21 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.95 -27.98 67.25 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.535 1.134 . . . . 10.0 112.972 170.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -78.02 -17.0 57.61 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.138 1.375 . . . . 10.0 113.832 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.25 143.83 57.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.904 0.882 . . . . 10.0 112.82 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -63.55 -29.87 71.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.003 0.921 . . . . 10.0 113.036 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -73.26 -32.12 64.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.377 0.671 . . . . 10.0 112.65 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -70.11 -36.75 75.08 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.061 0.846 . . . . 10.0 111.038 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.42 -38.35 86.79 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.326 1.05 . . . . 10.0 112.656 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -66.2 -40.24 90.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.158 -0.964 . . . . 10.0 112.284 171.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.03 -45.13 94.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.932 0.893 . . . . 10.0 111.67 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.5 t -54.73 -45.06 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.896 1.678 . . . . 10.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.27 -39.43 86.08 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.184 0.994 . . . . 10.0 112.993 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . 0.444 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -59.89 -43.78 94.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.251 1.02 . . . . 10.0 111.559 170.261 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.96 95.85 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.292 -0.88 . . . . 10.0 112.249 173.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.4 -45.22 95.25 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.734 1.152 . . . . 10.0 112.49 171.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -47.98 82.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.151 . . . . 10.0 111.905 177.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.06 -40.77 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.735 -0.65 . . . . 10.0 111.71 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.1 -49.51 68.97 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.011 1.278 . . . . 10.0 111.225 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.21 -38.59 94.72 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.547 0.594 . . . . 10.0 113.884 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.4 -35.8 78.21 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.806 1.303 . . . . 10.0 112.34 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.79 -39.62 69.76 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.27 . . . . 10.0 110.925 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.38 -38.8 91.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.484 1.514 . . . . 10.0 112.551 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -79.76 5.27 13.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.329 1.452 . . . . 10.0 114.198 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.8 m -120.83 14.51 11.65 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.608 1.563 . . . . 10.0 113.444 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -131.26 150.33 52.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.643 1.177 . . . . 10.0 113.329 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -103.98 -3.22 24.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.827 1.651 . . . . 10.0 112.611 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 63.4 p -154.22 161.75 41.63 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 126.507 1.923 . . . . 10.0 110.102 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -27.38 68.66 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 175.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -71.21 -37.33 72.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.795 0.838 . . . . 10.0 112.027 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.69 -39.43 84.41 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.456 -0.778 . . . . 10.0 111.526 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.49 -52.5 65.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.927 0.891 . . . . 10.0 111.704 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -49.19 -47.8 45.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.59 -42.92 99.85 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.509 0.595 . . . . 10.0 112.322 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.27 -42.89 96.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.554 0.742 . . . . 10.0 112.741 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.4 mt -55.74 -54.15 47.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.644 0.656 . . . . 10.0 110.458 170.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -28.67 66.68 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.498 0.925 . . . . 10.0 113.498 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -67.71 -41.8 82.99 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.456 1.025 . . . . 10.0 111.877 171.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -34.74 78.52 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.277 -0.889 . . . . 10.0 111.645 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.42 -45.64 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.391 1.077 . . . . 10.0 111.884 170.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -55.93 -48.98 74.74 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.089 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -53.4 -58.13 8.2 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.298 0.954 . . . . 10.0 111.644 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.98 -48.81 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.602 0.637 . . . . 10.0 111.185 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.54 -52.51 63.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.205 0.602 . . . . 10.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -36.36 78.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.096 0.958 . . . . 10.0 112.485 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -69.68 -49.54 52.53 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.051 0.54 . . . . 10.0 111.997 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.57 -32.63 74.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.996 1.271 . . . . 10.0 112.472 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -60.54 -6.87 1.81 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.356 1.613 . . . . 10.0 115.356 169.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -122.86 -36.57 2.86 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.982 1.265 . . . . 10.0 113.711 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -63.83 -11.44 27.22 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.939 1.296 . . . . 10.0 114.07 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -114.66 11.23 16.87 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.527 1.931 . . . . 10.0 113.044 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -140.26 -13.26 1.04 Allowed 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 115.426 1.639 . . . . 10.0 115.426 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 78.2 p -58.09 -24.82 60.08 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.777 1.769 . . . . 10.0 115.777 -176.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -71.74 -25.45 62.06 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.217 1.407 . . . . 10.0 114.066 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.45 1.5 . . . . 10.0 112.277 -177.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 35.7 p . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.117 0.484 . . . . 10.0 111.398 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -142.58 166.58 24.27 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.929 1.692 . . . . 10.0 111.024 -178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -146.04 169.84 17.85 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.802 1.241 . . . . 10.0 112.708 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -137.09 32.55 2.41 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.834 1.683 . . . . 10.0 113.08 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -149.84 -173.69 4.49 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.91 2.084 . . . . 10.0 110.596 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.8 mt -124.83 19.8 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.487 1.115 . . . . 10.0 111.009 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.8 tp -146.15 76.89 12.17 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.246 2.218 . . . . 10.0 108.384 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . 0.444 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 32.3 Cg_exo -42.86 136.87 4.56 Favored 'Trans proline' 0 C--N 1.353 0.791 1 C-N-CA 126.395 4.73 . . . . 10.0 114.29 178.674 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 19.7 m -51.08 -40.01 57.39 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.752 . . . . 10.0 115.729 -169.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.19 -27.2 60.7 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.85 -42.6 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 169.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 49.7 ttp -52.95 -54.28 37.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.647 0.779 . . . . 10.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.43 -42.29 70.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.415 1.086 . . . . 10.0 112.844 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -61.95 -47.02 86.73 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.247 1.019 . . . . 10.0 112.341 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.65 -44.18 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.238 0.926 . . . . 10.0 111.159 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.51 -34.52 78.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.154 0.888 . . . . 10.0 113.056 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.99 42.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.8 -47.73 20.66 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 25.0 p -57.81 -34.35 24.7 Favored Pre-proline 0 N--CA 1.478 0.968 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 -170.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -90.57 -7.91 3.9 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.05 2.5 . . . . 10.0 114.21 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 11.2 t -82.66 160.38 22.44 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.901 1.075 . . . . 10.0 113.901 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 25.0 ptp -153.95 154.67 34.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.985 2.114 . . . . 10.0 110.078 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -130.16 -2.72 4.5 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -173.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -153.25 162.56 41.16 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.726 1.61 . . . . 10.0 111.066 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -152.23 163.28 39.73 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.406 1.482 . . . . 10.0 112.099 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -75.58 171.71 54.15 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.789 1.185 . . . . 10.0 115.008 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -136.73 -11.09 1.81 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.06 1.344 . . . . 10.0 113.13 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 75.4 p -152.55 162.45 26.46 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 126.363 1.865 . . . . 10.0 111.383 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.64 -33.83 97.23 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.443 2.762 . . . . 10.0 114.755 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -157.31 159.17 37.25 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.762 1.625 . . . . 10.0 111.982 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.777 1.631 . . . . 10.0 111.664 -177.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -34.95 -50.28 0.48 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 116.708 2.114 . . . . 10.0 116.708 -168.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.86 -58.79 6.61 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.895 0.878 . . . . 10.0 112.783 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -64.8 -36.58 84.79 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.412 1.085 . . . . 10.0 112.488 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 20.4 mm -59.9 -46.0 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.386 1.074 . . . . 10.0 111.139 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -74.33 -37.26 63.61 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.83 -47.75 73.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.732 1.213 . . . . 10.0 112.395 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.05 -43.38 91.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.069 0.948 . . . . 10.0 112.154 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.27 -48.03 68.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.472 0.709 . . . . 10.0 111.446 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.29 -29.47 68.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.982 1.713 . . . . 10.0 113.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.79 -44.05 63.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.708 1.203 . . . . 10.0 113.203 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.33 -20.17 62.22 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.35 0.87 . . . . 10.0 113.35 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 50.2 ttm -80.05 -40.62 27.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.883 0.765 . . . . 10.0 110.172 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -55.29 -27.63 48.05 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.891 1.276 . . . . 10.0 113.271 175.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 52.2 m -46.05 -40.64 10.99 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.781 1.232 . . . . 10.0 113.221 169.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.45 -32.93 73.87 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.608 -0.683 . . . . 10.0 112.577 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -80.02 -42.95 22.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.802 1.241 . . . . 10.0 112.9 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.38 -29.0 60.89 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.385 0.883 . . . . 10.0 113.385 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.02 -2.05 38.5 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.812 1.645 . . . . 10.0 114.526 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -140.74 -9.66 1.05 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.093 1.886 . . . . 10.0 116.093 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -172.35 175.7 45.48 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 119.426 1.012 . . . . 10.0 114.754 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -63.48 161.41 14.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.526 1.53 . . . . 10.0 113.218 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.99 19.54 3.23 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.986 1.315 . . . . 10.0 114.119 -171.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -69.71 160.04 32.39 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.241 -0.912 . . . . 10.0 113.151 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.843 1.657 . . . . 10.0 112.845 176.391 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.195 -0.762 . . . . 10.0 111.195 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.62 -29.05 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 125.11 1.364 . . . . 10.0 113.269 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -147.42 96.78 2.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.026 1.73 . . . . 10.0 110.794 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -78.9 -3.33 44.24 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.55 1.315 . . . . 10.0 114.55 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 121.45 -8.64 10.21 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.574 1.559 . . . . 10.0 114.645 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -132.92 -7.19 3.11 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.727 1.381 . . . . 10.0 114.727 -170.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -61.45 -29.02 69.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.718 1.207 . . . . 10.0 113.144 -170.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -16.33 62.65 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.554 1.942 . . . . 10.0 114.932 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -41.76 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.855 0.862 . . . . 10.0 111.93 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.89 148.9 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 10.0 110.518 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.5 p -111.73 162.02 15.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.145 1.378 . . . . 10.0 111.398 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -57.17 -34.14 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.145 -0.972 . . . . 10.0 113.521 171.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.02 -41.39 86.71 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.708 0.686 . . . . 10.0 111.419 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -47.19 82.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.168 0.587 . . . . 10.0 111.56 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -58.45 -52.15 66.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.574 0.75 . . . . 10.0 111.729 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -53.08 -50.62 64.01 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.789 0.835 . . . . 10.0 113.159 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -73.14 -38.61 66.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.023 -0.513 . . . . 10.0 112.068 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.08 -35.38 78.49 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.587 -1.196 . . . . 10.0 112.046 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.38 -50.64 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 120.449 1.477 . . . . 10.0 110.709 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -59.24 -44.82 92.34 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -34.46 76.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.562 0.745 . . . . 10.0 112.437 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.64 -53.19 55.45 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.757 0.823 . . . . 10.0 109.875 169.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.82 -46.02 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.068 0.947 . . . . 10.0 112.162 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -63.87 -24.21 67.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -104.7 -25.96 12.48 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.202 0.91 . . . . 10.0 113.297 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.53 -43.43 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 118.807 0.73 . . . . 10.0 109.409 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.7 105.43 6.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.112 0.965 . . . . 10.0 108.776 169.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.19 92.21 0.27 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.496 2.797 . . . . 10.0 110.603 169.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 6.8 t -51.12 140.05 22.95 Favored Pre-proline 0 N--CA 1.473 0.687 0 C-N-CA 126.318 1.847 . . . . 10.0 113.335 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.5 -30.62 14.88 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.97 2.447 . . . . 10.0 111.992 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -150.97 159.93 32.95 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 128.399 2.68 . . . . 10.0 108.304 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.62 -20.92 34.85 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.314 2.009 . . . . 10.0 112.403 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.59 -31.58 72.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.036 0.935 . . . . 10.0 113.138 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.85 -21.9 63.31 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.154 -0.967 . . . . 10.0 113.119 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.31 -26.84 68.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.174 0.99 . . . . 10.0 112.925 169.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.81 -12.9 52.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.283 1.433 . . . . 10.0 113.167 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.08 140.86 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.82 0.848 . . . . 10.0 112.202 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -49.23 -35.57 17.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.381 1.472 . . . . 10.0 114.882 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -74.65 -30.42 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.057 0.943 . . . . 10.0 113.053 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -24.16 67.36 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.467 0.707 . . . . 10.0 112.241 173.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.95 -32.06 67.46 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 10.0 113.734 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -67.75 -40.85 84.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.433 1.015 . . . . 10.0 111.516 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.37 -48.09 74.14 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.506 1.522 . . . . 10.0 111.121 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 30.6 t -55.24 -46.33 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.474 1.91 . . . . 10.0 112.704 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.88 -40.98 87.97 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.101 -0.999 . . . . 10.0 112.106 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -59.52 -44.95 93.02 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.096 0.958 . . . . 10.0 112.031 170.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.45 96.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 10.0 112.132 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.94 -43.33 98.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.572 0.624 . . . . 10.0 112.379 172.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -62.77 -49.54 74.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.031 0.932 . . . . 10.0 111.762 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.26 -42.89 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.642 1.177 . . . . 10.0 111.493 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.52 -43.84 80.19 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.53 1.059 . . . . 10.0 111.842 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.2 -36.35 91.68 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.097 0.856 . . . . 10.0 114.404 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.93 -39.36 72.69 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.282 1.541 . . . . 10.0 111.602 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.9 mmt -71.98 -35.07 69.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.198 0.999 . . . . 10.0 111.419 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -65.08 -45.71 84.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.709 1.604 . . . . 10.0 112.622 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.42 -30.86 71.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.81 1.244 . . . . 10.0 112.673 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.5 m -84.98 -5.89 59.35 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.76 128.23 51.17 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.195 1.183 . . . . 10.0 114.195 -169.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -83.15 -10.01 58.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.796 1.638 . . . . 10.0 113.444 174.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.3 p -148.75 162.99 38.66 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.738 1.215 . . . . 10.0 112.429 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -29.96 70.97 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.178 0.991 . . . . 10.0 113.181 176.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.68 -43.86 65.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.8 0.84 . . . . 10.0 111.494 172.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.62 -33.98 77.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.342 0.657 . . . . 10.0 112.54 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -57.16 -61.4 2.49 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.208 1.403 . . . . 10.0 112.238 172.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -49.95 -46.15 52.04 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -64.51 -41.62 96.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.35 -0.844 . . . . 10.0 112.338 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.87 -44.35 93.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.541 1.136 . . . . 10.0 112.245 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -54.41 -54.5 39.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.733 0.697 . . . . 10.0 110.793 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.87 76.56 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.037 0.755 . . . . 10.0 113.037 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.71 -46.14 69.72 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.911 -1.118 . . . . 10.0 112.612 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -26.78 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.804 -1.185 . . . . 10.0 112.239 175.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.57 -46.93 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 10.0 110.596 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -57.46 -44.66 84.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.357 0.663 . . . . 10.0 111.882 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -54.15 -59.44 4.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.724 1.209 . . . . 10.0 112.02 172.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.93 -44.49 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.018 1.327 . . . . 10.0 111.293 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.99 -60.39 2.88 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.241 0.617 . . . . 10.0 111.381 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -34.85 78.23 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.024 1.12 . . . . 10.0 114.024 -169.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.38 -31.8 73.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.22 0.608 . . . . 10.0 111.992 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.7 mp -87.03 -37.13 17.76 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.33 -47.6 69.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.503 1.502 . . . . 10.0 113.62 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -9.73 54.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.42 -1.425 . . . . 10.0 114.176 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -102.47 -5.74 23.71 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.896 1.678 . . . . 10.0 112.815 172.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -125.18 -9.76 7.04 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.887 2.075 . . . . 10.0 113.875 -173.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -112.59 -3.73 14.28 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.521 1.529 . . . . 10.0 113.122 169.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 42.7 p -59.73 -16.2 25.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.299 1.84 . . . . 10.0 115.206 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.49 -31.28 70.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.625 1.57 . . . . 10.0 113.546 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.254 1.31 0 C-N-CA 124.805 1.242 . . . . 10.0 111.571 176.381 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -50.44 -29.56 10.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.238 2.215 . . . . 10.0 115.232 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -66.01 -5.79 10.71 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.261 1.578 . . . . 10.0 115.261 175.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -68.16 52.24 0.41 Allowed Glycine 0 CA--C 1.539 1.542 0 C-N-CA 128.117 2.77 . . . . 10.0 116.973 -173.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -60.71 157.9 13.79 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.164 1.785 . . . . 10.0 112.598 169.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 16.4 mm -135.11 -38.13 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 -173.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.8 tp -116.71 100.59 53.5 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 125.576 1.55 . . . . 10.0 111.454 -169.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.6 146.72 14.46 Favored 'Trans proline' 0 C--N 1.353 0.794 1 C-N-CA 125.984 4.456 . . . . 10.0 114.77 173.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 61.7 p -61.24 -38.72 87.67 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.989 1.478 . . . . 10.0 114.989 -174.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.34 -40.0 85.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.354 -0.841 . . . . 10.0 112.505 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.46 -42.47 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.585 0.754 . . . . 10.0 109.252 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 56.1 ttm -51.14 -56.22 13.82 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.563 1.145 . . . . 10.0 110.832 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -53.25 -42.09 66.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.17 -43.14 99.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.306 0.642 . . . . 10.0 112.495 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.29 -42.37 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.698 -0.626 . . . . 10.0 111.296 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.37 -44.87 95.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.503 1.047 . . . . 10.0 112.767 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.74 85.85 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.799 0.84 . . . . 10.0 113.092 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -80.09 -40.09 28.27 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.585 1.698 . . . . 10.0 115.585 -175.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 66.6 p -80.17 -10.7 0.16 Allowed Pre-proline 0 N--CA 1.483 1.203 0 N-CA-C 121.499 3.888 . . . . 10.0 121.499 -169.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.72 161.37 44.07 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 124.907 2.788 . . . . 10.0 114.164 -169.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 44.5 p -62.38 -28.18 69.59 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.975 0.91 . . . . 10.0 113.242 173.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 40.1 tpp -148.32 131.33 16.26 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.826 1.65 . . . . 10.0 109.544 169.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -79.22 61.37 3.31 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.003 1.321 . . . . 10.0 111.977 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.76 -9.51 9.6 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.007 1.723 . . . . 10.0 115.17 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -140.95 116.54 10.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.176 1.79 . . . . 10.0 109.034 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 158.81 21.34 0.03 OUTLIER Glycine 0 CA--C 1.54 1.604 0 C-N-CA 124.55 1.072 . . . . 10.0 115.638 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.39 158.03 15.49 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.552 1.541 . . . . 10.0 114.051 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 23.1 t -150.49 -40.56 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 114.63 1.344 . . . . 10.0 114.63 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.39 -29.45 90.18 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.638 2.226 . . . . 10.0 114.797 174.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -152.02 154.77 36.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.615 1.966 . . . . 10.0 109.656 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.763 1.625 . . . . 10.0 111.954 177.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 65.3 mttm . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -134.44 -60.63 0.79 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -65.6 -41.64 92.57 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 121.142 -0.974 . . . . 10.0 113.224 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -63.07 -32.09 73.38 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.338 1.055 . . . . 10.0 112.798 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.51 -48.47 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.782 1.233 . . . . 10.0 110.946 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -74.79 -40.18 61.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.865 0.466 . . . . 10.0 110.082 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -51.97 -51.48 56.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.479 1.112 . . . . 10.0 112.491 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.84 -39.02 90.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.308 1.443 . . . . 10.0 112.752 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.78 -49.52 72.6 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.65 0.78 . . . . 10.0 110.66 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.54 -28.15 69.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.063 2.145 . . . . 10.0 113.675 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 28.1 mt -48.18 -36.46 13.68 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.238 1.415 . . . . 10.0 114.384 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.07 -27.31 63.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 55.4 ttm -74.37 -41.12 61.53 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.325 1.42 . . . . 10.0 110.863 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 21.5 m -55.1 -19.94 8.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.934 1.694 . . . . 10.0 113.198 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 63.5 m -50.65 -46.84 58.68 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.182 . . . . 10.0 112.78 170.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.28 -41.28 90.04 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 118.963 0.801 . . . . 10.0 111.691 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -60.41 -44.54 95.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.152 0.981 . . . . 10.0 111.307 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.31 -43.43 94.73 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.02 1.328 . . . . 10.0 112.951 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.7 mp -77.46 -31.73 54.0 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.018 1.118 . . . . 10.0 114.018 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -105.66 -5.19 20.23 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.052 1.131 . . . . 10.0 114.052 -170.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 65.0 38.12 95.08 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.249 0.928 . . . . 10.0 114.029 174.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -141.04 167.69 21.59 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.438 1.895 . . . . 10.0 110.684 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -134.86 166.52 22.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.047 1.339 . . . . 10.0 111.86 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.77 155.01 24.05 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.341 1.056 . . . . 10.0 113.224 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--O 1.253 1.238 0 C-N-CA 126.33 1.852 . . . . 10.0 111.575 -177.266 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.38 -0.688 . . . . 10.0 111.38 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.65 136.14 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 125.141 1.376 . . . . 10.0 110.142 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -129.88 -135.18 0.21 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 127.247 2.219 . . . . 10.0 109.447 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -49.29 134.2 18.66 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.118 1.367 . . . . 10.0 112.142 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 177.61 34.25 0.05 OUTLIER Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.286 0.946 . . . . 10.0 114.053 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -131.01 -4.89 3.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.957 1.466 . . . . 10.0 114.957 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -69.25 -20.76 63.94 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.798 0.839 . . . . 10.0 112.735 -172.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.56 -16.4 60.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.883 1.273 . . . . 10.0 114.426 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.96 12.4 28.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.988 1.315 . . . . 10.0 112.947 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.68 150.53 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.968 1.707 . . . . 10.0 110.803 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 44.1 p -134.48 161.73 34.22 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.633 1.573 . . . . 10.0 110.728 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.55 -34.17 72.34 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.495 -0.753 . . . . 10.0 112.081 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.15 -33.89 72.35 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.48 -0.763 . . . . 10.0 112.524 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.44 -49.71 74.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.362 0.665 . . . . 10.0 111.18 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -55.86 -48.03 76.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.566 0.746 . . . . 10.0 111.351 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -57.87 -52.21 66.4 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.31 1.044 . . . . 10.0 113.15 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -70.35 -40.75 73.9 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.118 0.567 . . . . 10.0 111.97 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.88 -45.88 91.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.527 0.603 . . . . 10.0 111.495 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.11 -49.31 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.426 0.69 . . . . 10.0 111.557 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -59.94 -44.15 94.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.301 0.955 . . . . 10.0 112.139 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -66.15 -35.0 79.32 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.557 -0.714 . . . . 10.0 112.565 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -50.37 73.27 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.793 0.837 . . . . 10.0 111.368 169.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.84 -46.4 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.913 1.285 . . . . 10.0 112.17 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -63.29 -41.65 99.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.611 0.765 . . . . 10.0 112.939 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.82 84.94 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.634 -0.667 . . . . 10.0 112.523 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.15 -52.24 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.008 0.923 . . . . 10.0 110.428 175.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . 0.411 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 2.0 t80 -141.0 103.5 6.2 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.941 0.896 . . . . 10.0 110.517 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -58.51 -8.34 5.3 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.927 3.751 . . . . 10.0 117.621 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 22.3 m 69.26 133.04 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 128.078 2.551 . . . . 10.0 113.356 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.411 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 87.8 Cg_endo -87.31 -30.39 0.3 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.88 3.053 . . . . 10.0 113.112 -175.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -157.15 157.33 30.43 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.248 1.819 . . . . 10.0 111.636 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -71.27 -1.06 9.05 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.136 2.557 . . . . 10.0 115.68 -174.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -100.7 -28.25 12.94 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.71 1.141 . . . . 10.0 112.166 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.21 71.91 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.549 1.068 . . . . 10.0 113.277 173.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.97 -9.76 56.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.284 1.587 . . . . 10.0 115.284 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -86.93 -10.28 53.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.957 0.903 . . . . 10.0 113.24 170.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.56 146.87 51.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.636 0.774 . . . . 10.0 112.692 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -38.3 45.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.877 1.671 . . . . 10.0 113.057 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -67.29 -29.87 69.58 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 8.9 tpt -76.46 -32.62 58.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.611 1.096 . . . . 10.0 111.653 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.12 -34.59 76.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.673 -1.267 . . . . 10.0 111.611 169.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -65.98 -42.13 90.23 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.402 -0.812 . . . . 10.0 112.3 169.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -52.56 64.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.128 0.971 . . . . 10.0 110.453 173.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 13.4 t -53.52 -44.87 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.534 1.934 . . . . 10.0 112.436 174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.19 78.92 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.449 1.099 . . . . 10.0 112.742 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . 0.439 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.12 -45.63 92.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 10.0 111.204 172.074 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.518 0.727 . . . . 10.0 111.692 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.76 -45.06 91.54 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.911 0.778 . . . . 10.0 113.095 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.94 -44.35 94.41 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.638 1.175 . . . . 10.0 112.017 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.07 -40.18 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 118.715 -0.659 . . . . 10.0 111.872 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -39.8 68.26 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.226 1.376 . . . . 10.0 111.822 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.01 76.65 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.153 0.882 . . . . 10.0 113.976 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.22 -33.94 61.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.98 1.39 . . . . 10.0 111.478 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 19.0 mmt -68.54 -38.27 80.68 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.682 0.793 . . . . 10.0 110.792 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -66.14 -48.97 69.04 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.124 1.37 . . . . 10.0 112.591 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.94 -21.02 63.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p -97.72 -30.19 12.95 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.299 1.222 . . . . 10.0 114.299 -175.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.31 143.07 57.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.274 1.029 . . . . 10.0 113.149 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -82.05 -21.36 36.95 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.507 1.123 . . . . 10.0 113.163 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.4 p -142.27 162.21 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.472 1.509 . . . . 10.0 112.61 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.9 ttp-105 -60.2 -37.48 80.37 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.114 0.965 . . . . 10.0 112.47 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.39 -42.74 95.97 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.648 1.179 . . . . 10.0 112.839 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.67 -39.22 84.5 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.239 -0.913 . . . . 10.0 111.93 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.44 -54.74 43.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.354 1.062 . . . . 10.0 111.592 172.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -50.65 -46.25 58.34 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.22 1.008 . . . . 10.0 112.845 170.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -61.65 -42.95 99.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.377 0.99 . . . . 10.0 112.143 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.67 -42.07 99.42 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.064 0.946 . . . . 10.0 112.407 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.0 -45.27 95.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.581 -0.699 . . . . 10.0 112.187 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.55 64.04 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.699 -0.626 . . . . 10.0 112.511 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.049 -1.032 . . . . 10.0 111.219 169.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.26 -41.88 99.1 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.264 -0.874 . . . . 10.0 112.572 173.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 6.9 mm -53.39 -57.32 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.178 0.899 . . . . 10.0 109.037 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -59.21 -57.35 13.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.442 1.097 . . . . 10.0 111.739 -170.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.3 tmtt? -55.32 -51.79 65.58 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.855 0.862 . . . . 10.0 112.26 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.85 -40.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 122.879 0.472 . . . . 10.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.33 -57.5 6.51 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.611 -0.681 . . . . 10.0 112.108 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -67.3 -25.08 65.86 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.84 -59.46 3.85 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.808 0.731 . . . . 10.0 110.621 169.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.46 -42.71 83.06 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.963 0.905 . . . . 10.0 113.091 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -59.34 -18.81 41.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.09 -32.53 6.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.337 1.055 . . . . 10.0 112.709 172.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' B' ' 667' ' ' LYS . 0.0 OUTLIER -68.42 -30.46 69.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.056 -1.028 . . . . 10.0 112.892 -178.079 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -67.32 -40.77 85.99 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.257 1.023 . . . . 10.0 111.914 169.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -75.56 -23.52 56.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.722 1.609 . . . . 10.0 113.926 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 59.8 m -129.77 41.62 3.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.303 1.841 . . . . 10.0 111.635 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -17.16 30.84 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.133 1.901 . . . . 10.0 116.133 -175.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 129.183 2.993 . . . . 10.0 113.768 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.862 0.363 . . . . 10.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -149.72 135.21 18.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.337 1.055 . . . . 10.0 111.041 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -139.1 14.3 2.63 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.966 1.706 . . . . 10.0 112.386 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 140.4 24.26 0.26 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.45 1.5 . . . . 10.0 114.214 -174.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -56.51 -23.9 42.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.305 1.442 . . . . 10.0 114.412 -169.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 52.4 mt -63.15 -19.79 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.658 1.183 . . . . 10.0 113.267 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.9 tp -134.16 84.57 41.79 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.33 1.452 . . . . 10.0 110.047 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . 0.439 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 45.7 Cg_exo -43.05 134.15 5.81 Favored 'Trans proline' 0 C--N 1.351 0.706 1 C-N-CA 126.445 4.763 . . . . 10.0 114.171 171.691 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 58.2 p -61.57 -36.5 80.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.558 1.318 . . . . 10.0 114.558 -174.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.58 -38.49 91.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.852 0.861 . . . . 10.0 112.4 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.34 -46.94 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 123.476 0.711 . . . . 10.0 109.867 169.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 20.9 ttt -57.45 -48.78 78.24 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.632 0.651 . . . . 10.0 112.426 -173.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.02 -43.05 86.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.247 0.619 . . . . 10.0 112.397 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.47 -46.6 89.35 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.911 0.885 . . . . 10.0 111.84 171.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.307 -0.871 . . . . 10.0 112.274 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.27 -43.09 71.21 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.527 1.512 . . . . 10.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.93 -27.38 67.44 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -175.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.11 -47.71 60.63 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.54 1.681 . . . . 10.0 115.54 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.9 p -80.13 -34.08 0.81 Allowed Pre-proline 0 N--CA 1.48 1.064 0 N-CA-C 117.98 2.585 . . . . 10.0 117.98 -169.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.47 122.6 11.56 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.79 2.326 . . . . 10.0 114.243 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 64.8 p -79.04 -18.66 53.11 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.113 1.153 . . . . 10.0 114.113 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -67.15 -10.08 46.56 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.989 1.477 . . . . 10.0 114.989 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -61.12 -12.46 12.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.926 1.69 . . . . 10.0 115.308 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -133.73 13.35 4.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.536 1.534 . . . . 10.0 113.251 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 59.4 tp -68.02 110.85 4.1 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.766 1.226 . . . . 10.0 111.531 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 156.2 -26.59 0.55 Allowed Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.582 1.087 . . . . 10.0 114.683 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -150.64 146.64 26.63 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.333 1.453 . . . . 10.0 111.287 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 46.7 m -63.72 144.16 97.93 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.368 1.067 . . . . 10.0 113.185 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.12 164.48 35.32 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.447 2.765 . . . . 10.0 112.641 174.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -151.28 146.99 26.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.56 1.544 . . . . 10.0 110.642 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.796 1.639 . . . . 10.0 111.433 178.019 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 N--CA 1.496 1.857 0 N-CA-C 112.376 0.51 . . . . 10.0 112.376 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -38.76 -42.95 0.86 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 128.946 2.898 . . . . 10.0 116.174 -169.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.38 -59.87 4.76 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.212 1.005 . . . . 10.0 112.872 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -27.5 67.45 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 178.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 20.8 mm -61.4 -50.31 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.817 0.847 . . . . 10.0 110.253 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -69.78 -39.71 76.46 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.194 0.598 . . . . 10.0 112.189 173.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.48 -46.66 83.47 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.982 0.913 . . . . 10.0 112.675 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.54 -43.49 93.47 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.419 1.088 . . . . 10.0 111.874 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.34 -45.06 77.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.601 0.76 . . . . 10.0 111.828 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 51.0 tp -72.99 -28.04 62.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.669 1.587 . . . . 10.0 113.785 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.49 -45.28 66.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.832 1.253 . . . . 10.0 112.843 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.72 -56.15 17.86 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.852 0.861 . . . . 10.0 111.377 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.16 -25.4 65.5 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 70.2 m -65.6 -19.73 66.03 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.75 1.389 . . . . 10.0 114.75 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 49.8 m -54.75 -42.35 71.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.04 -21.61 66.39 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -78.25 -29.03 47.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.665 0.666 . . . . 10.0 112.372 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -80.45 -23.95 39.9 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.519 1.128 . . . . 10.0 112.941 175.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.5 5.9 0.52 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.529 1.931 . . . . 10.0 114.812 170.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -56.64 -25.04 52.3 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.325 1.45 . . . . 10.0 113.841 169.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -60.97 129.31 46.24 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.758 1.17 . . . . 10.0 112.517 173.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -147.65 6.18 0.82 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.888 1.44 . . . . 10.0 114.888 -169.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -70.42 -8.31 49.85 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.262 1.578 . . . . 10.0 115.262 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -105.21 0.74 27.56 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.206 1.402 . . . . 10.0 114.131 -176.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--O 1.254 1.32 0 C-N-CA 125.331 1.452 . . . . 10.0 112.664 175.682 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.967 -0.453 . . . . 10.0 111.967 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.01 -29.19 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.929 1.292 . . . . 10.0 112.938 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -141.19 163.62 32.46 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.872 2.069 . . . . 10.0 110.482 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -86.81 14.86 6.46 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.817 1.247 . . . . 10.0 114.032 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 82.85 -47.04 3.72 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 125.798 1.666 . . . . 10.0 114.721 170.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -62.37 -15.58 49.43 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.795 1.238 . . . . 10.0 114.177 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -57.88 -26.41 62.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.999 1.72 . . . . 10.0 112.568 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.26 -22.23 64.64 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.101 1.36 . . . . 10.0 113.958 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -81.66 -2.29 49.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 90.5 t -117.57 151.63 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.304 1.441 . . . . 10.0 111.5 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.0 p -130.84 158.64 39.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.909 1.684 . . . . 10.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.05 -31.16 68.61 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.619 -0.676 . . . . 10.0 112.582 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.2 -41.55 94.42 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.508 -0.745 . . . . 10.0 112.342 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.75 -52.6 62.58 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 119.186 -0.435 . . . . 10.0 110.744 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -52.31 -46.61 66.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.721 0.808 . . . . 10.0 112.097 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -50.55 73.51 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.542 1.137 . . . . 10.0 112.555 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -67.15 -41.14 86.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.013 0.525 . . . . 10.0 111.654 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.07 -40.43 96.24 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.228 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.9 t -58.7 -49.38 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.056 1.298 . . . . 10.0 111.259 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -59.41 -41.24 89.0 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.883 0.765 . . . . 10.0 112.251 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -70.1 -30.08 67.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.1 0.96 . . . . 10.0 113.279 176.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.7 tp -62.69 -52.87 61.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.062 0.945 . . . . 10.0 109.059 169.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.03 -49.66 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.317 1.447 . . . . 10.0 112.82 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -63.75 -32.11 73.5 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -175.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -83.5 -24.25 31.8 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.477 1.035 . . . . 10.0 112.849 176.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.58 -51.47 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 123.645 0.778 . . . . 10.0 109.789 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -144.83 114.63 5.07 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.688 0.795 . . . . 10.0 110.364 171.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -57.51 -11.09 7.97 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.375 3.383 . . . . 10.0 117.024 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 77.11 148.07 0.12 Allowed Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 127.986 2.514 . . . . 10.0 112.265 -172.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.45 -41.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.001 2.468 . . . . 10.0 112.144 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -157.18 154.7 26.6 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 128.694 2.798 . . . . 10.0 108.558 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.82 -18.96 31.63 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.731 2.288 . . . . 10.0 113.992 -170.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.98 70.16 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.509 -0.744 . . . . 10.0 112.886 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.84 75.13 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.476 -0.765 . . . . 10.0 112.681 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.24 -18.79 17.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.444 1.498 . . . . 10.0 114.322 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -119.01 17.01 13.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.035 1.734 . . . . 10.0 113.702 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.0 143.28 32.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.214 1.406 . . . . 10.0 111.053 174.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -48.19 -37.12 15.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.225 1.565 . . . . 10.0 115.225 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -41.28 75.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.678 1.191 . . . . 10.0 112.093 176.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.1 tpt -84.67 -32.19 23.75 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.304 0.642 . . . . 10.0 112.363 176.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.36 -32.95 69.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.821 1.191 . . . . 10.0 113.142 171.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -64.82 -42.38 95.02 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.547 -0.72 . . . . 10.0 112.446 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.12 -44.75 87.7 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.456 0.703 . . . . 10.0 111.611 173.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 26.6 t -55.82 -44.8 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.774 1.63 . . . . 10.0 112.094 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.15 92.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.374 1.07 . . . . 10.0 112.366 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . 0.446 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.8 OUTLIER -60.24 -45.4 93.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.972 0.909 . . . . 10.0 111.93 170.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.49 95.16 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.174 -0.954 . . . . 10.0 111.892 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.07 -43.03 99.51 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 119.199 0.909 . . . . 10.0 112.446 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.16 -46.88 88.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.429 1.092 . . . . 10.0 111.988 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.41 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 10.0 110.958 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -56.44 -44.47 80.5 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.926 0.89 . . . . 10.0 112.362 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.14 -31.81 80.4 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.004 0.812 . . . . 10.0 114.083 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.28 -37.16 61.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.558 1.179 . . . . 10.0 111.635 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.3 mmt -68.83 -39.63 79.89 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.156 0.982 . . . . 10.0 111.184 174.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -59.4 -48.76 80.39 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.271 1.429 . . . . 10.0 112.531 171.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.48 -28.47 69.23 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.4 m -79.98 -30.36 39.72 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.73 136.85 40.33 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.609 1.337 . . . . 10.0 114.609 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.29 -23.33 62.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.674 1.589 . . . . 10.0 113.739 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.8 p -154.46 166.16 34.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.837 1.255 . . . . 10.0 112.907 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -40.52 66.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.338 1.455 . . . . 10.0 112.846 171.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -43.18 70.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.44 0.696 . . . . 10.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.91 -35.93 81.97 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.725 -0.609 . . . . 10.0 112.062 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -59.02 -56.85 16.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.896 1.278 . . . . 10.0 112.035 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.3 -44.98 65.36 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -59.7 -44.53 93.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.62 0.646 . . . . 10.0 111.839 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.45 -44.62 95.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.404 1.082 . . . . 10.0 112.594 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 40.9 mt -59.65 -54.78 42.44 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.721 0.691 . . . . 10.0 111.334 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.8 76.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.083 0.953 . . . . 10.0 112.918 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.14 -44.86 82.98 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.182 -0.949 . . . . 10.0 112.32 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -73.69 -27.94 61.48 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.142 0.883 . . . . 10.0 112.147 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.85 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.14 0.976 . . . . 10.0 110.122 168.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -56.88 -49.46 75.46 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.998 0.919 . . . . 10.0 111.138 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -52.41 -54.75 28.0 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.693 1.133 . . . . 10.0 112.935 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 66.3 mt -56.17 -43.73 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.019 0.928 . . . . 10.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -74.81 -48.85 23.1 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.897 -0.502 . . . . 10.0 112.259 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -61.77 -30.22 70.65 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.35 1.86 . . . . 10.0 113.1 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.28 -53.74 10.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.491 0.716 . . . . 10.0 111.608 171.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.41 -36.76 84.81 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.78 1.03 . . . . 10.0 113.78 -175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.21 -10.38 10.5 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.725 1.38 . . . . 10.0 114.725 173.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -109.47 -45.1 3.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.798 1.239 . . . . 10.0 111.813 172.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.05 -6.49 6.45 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.984 1.476 . . . . 10.0 114.984 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -109.26 6.92 25.03 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.152 1.781 . . . . 10.0 113.341 171.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -130.67 -14.41 3.62 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.433 1.893 . . . . 10.0 113.38 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 68.6 p -65.09 -17.24 64.29 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.894 2.078 . . . . 10.0 115.104 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -71.49 86.67 0.87 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.13 1.372 . . . . 10.0 110.653 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 127.042 2.137 . . . . 10.0 110.308 -174.136 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.337 -0.363 . . . . 10.0 111.81 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -148.43 155.11 40.79 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.039 1.336 . . . . 10.0 111.297 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -150.01 164.93 34.21 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.091 1.357 . . . . 10.0 112.181 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 160.51 -22.91 0.25 Allowed Glycine 0 CA--C 1.535 1.298 0 N-CA-C 115.112 0.805 . . . . 10.0 115.112 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -72.16 29.46 0.05 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.298 1.839 . . . . 10.0 114.609 -178.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 22.6 mt -71.96 -4.39 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.165 1.386 . . . . 10.0 111.705 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.6 tp -130.92 78.95 72.59 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 127.288 2.235 . . . . 10.0 107.94 169.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . 0.446 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 46.7 Cg_exo -45.31 137.0 11.01 Favored 'Trans proline' 0 C--N 1.353 0.782 1 C-N-CA 126.135 4.557 . . . . 10.0 114.256 177.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -36.63 65.85 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -172.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.54 -37.3 84.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.861 0.865 . . . . 10.0 113.259 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.14 -41.95 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.036 0.535 . . . . 10.0 109.828 170.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.44 -48.66 68.61 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.471 0.708 . . . . 10.0 111.884 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.86 -40.34 69.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.041 0.937 . . . . 10.0 113.25 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -62.53 -52.53 63.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.741 0.817 . . . . 10.0 111.033 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.9 t -55.2 -43.81 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.012 0.823 . . . . 10.0 111.847 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.0 -41.67 95.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.493 0.717 . . . . 10.0 112.747 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -69.29 -39.24 78.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.009 0.924 . . . . 10.0 112.615 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.65 -51.64 53.97 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 62.1 p -68.35 -34.03 5.38 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 116.249 1.944 . . . . 10.0 116.249 -169.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -63.29 -48.94 5.27 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.469 2.113 . . . . 10.0 114.01 171.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 75.5 p -169.75 -26.33 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 116.914 2.19 . . . . 10.0 116.914 -170.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 43.0 mtt -82.4 55.98 3.1 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.469 1.486 . . . . 10.0 113.408 -169.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.99 -17.85 7.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.677 1.991 . . . . 10.0 115.592 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -128.79 30.91 5.03 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.356 1.463 . . . . 10.0 113.222 -169.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 53.0 tp -135.2 141.19 45.8 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.218 1.407 . . . . 10.0 111.617 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 164.77 167.04 24.71 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.77 1.176 . . . . 10.0 112.796 171.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -147.45 154.94 41.43 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.803 1.241 . . . . 10.0 110.751 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 16.6 m -117.17 160.08 38.75 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.047 1.339 . . . . 10.0 110.999 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -65.86 -11.56 31.4 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.689 2.26 . . . . 10.0 114.504 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -101.8 -4.38 26.45 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.438 1.495 . . . . 10.0 114.359 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.152 1.381 . . . . 10.0 113.005 179.086 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 48.7 pttt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 111.46 0.17 . . . . 10.0 111.46 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . 0.483 ' HG2' ' H ' ' A' ' 293' ' ' LYS . 8.3 tt0 -153.69 -159.22 0.95 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.855 0.862 . . . . 10.0 112.316 -178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . 0.483 ' H ' ' HG2' ' A' ' 292' ' ' GLU . 20.0 pttm -40.94 -26.24 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 128.437 2.695 . . . . 10.0 117.61 -175.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.28 -32.89 26.36 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.719 1.145 . . . . 10.0 112.438 169.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 28.7 mm -58.84 -52.57 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.077 1.751 . . . . 10.0 111.766 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -72.54 -36.73 68.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 119.35 -0.357 . . . . 10.0 111.601 175.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.92 -47.41 77.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.32 1.448 . . . . 10.0 112.724 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.11 -43.04 99.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.441 1.096 . . . . 10.0 112.061 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.48 -46.39 76.49 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.398 0.679 . . . . 10.0 111.134 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.55 -24.7 67.92 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.697 2.399 . . . . 10.0 113.838 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.83 -35.28 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.66 -25.63 53.94 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.891 0.768 . . . . 10.0 112.77 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -79.4 -35.52 40.56 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.946 -1.096 . . . . 10.0 110.892 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 56.5 m -52.31 -30.66 29.35 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.106 1.762 . . . . 10.0 112.651 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 53.9 m -45.97 -40.66 10.69 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.019 1.728 . . . . 10.0 113.806 171.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.72 -29.79 69.86 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.167 -0.958 . . . . 10.0 113.167 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -80.05 -40.96 26.61 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.62 0.768 . . . . 10.0 112.184 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.09 -42.09 80.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.985 0.914 . . . . 10.0 112.162 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.74 -0.73 1.56 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.269 1.428 . . . . 10.0 114.556 174.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -128.42 2.49 5.65 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.947 2.099 . . . . 10.0 112.913 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 162.2 70.95 0.02 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.013 0.816 . . . . 10.0 114.215 -174.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -53.28 -25.88 16.33 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.235 1.414 . . . . 10.0 114.784 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -66.16 -15.34 63.05 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.691 1.596 . . . . 10.0 114.099 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -137.29 179.94 6.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.899 1.28 . . . . 10.0 113.439 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 C--O 1.251 1.158 0 C-N-CA 126.805 2.042 . . . . 10.0 111.724 -172.701 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.742 -0.543 . . . . 10.0 111.742 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.72 -15.46 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.822 1.249 . . . . 10.0 113.021 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -52.89 -17.73 1.56 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 126.885 2.074 . . . . 10.0 115.824 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -61.94 -20.17 63.52 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.33 1.452 . . . . 10.0 113.66 171.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 81.85 -38.23 2.52 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 126.15 1.833 . . . . 10.0 115.486 170.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -60.54 -22.19 63.37 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.239 1.2 . . . . 10.0 114.239 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -53.44 -31.5 45.67 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.519 1.928 . . . . 10.0 113.771 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.71 -12.25 60.12 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.933 1.293 . . . . 10.0 114.086 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -95.14 9.95 37.71 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.137 1.375 . . . . 10.0 113.841 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.79 107.32 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.048 1.339 . . . . 10.0 109.419 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.9 p -71.14 159.12 35.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.849 0.86 . . . . 10.0 111.992 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.1 -32.84 72.51 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.662 -0.649 . . . . 10.0 112.077 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.65 -46.0 84.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.032 0.933 . . . . 10.0 111.886 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.03 -47.39 86.06 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.343 0.657 . . . . 10.0 110.821 174.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -54.71 -51.31 65.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.73 1.212 . . . . 10.0 112.62 175.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.6 m -59.12 -50.68 73.14 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.279 1.032 . . . . 10.0 112.01 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -69.3 -43.32 74.03 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.813 -0.613 . . . . 10.0 111.558 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.65 -40.89 96.5 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.803 1.183 . . . . 10.0 112.811 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.61 -50.12 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 119.457 1.026 . . . . 10.0 110.778 171.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.34 -42.03 99.06 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.856 0.753 . . . . 10.0 112.836 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -58.26 -44.37 88.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.747 1.219 . . . . 10.0 111.432 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -49.58 76.57 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.519 0.728 . . . . 10.0 111.318 175.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.67 -45.68 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.935 0.894 . . . . 10.0 112.067 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -68.05 -38.44 82.48 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.36 -25.03 63.98 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.128 0.876 . . . . 10.0 113.293 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mt -73.04 -52.51 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.77 0.714 . . . . 10.0 109.388 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.38 106.74 5.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.351 1.06 . . . . 10.0 111.646 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.54 93.48 0.25 Allowed 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 124.059 3.173 . . . . 10.0 110.522 169.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 2.8 p -56.24 139.11 73.4 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 10.0 113.315 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.58 -29.53 19.84 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.902 2.401 . . . . 10.0 113.547 -172.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.77 167.78 13.79 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.924 1.69 . . . . 10.0 111.744 -173.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.12 -17.22 31.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.558 2.172 . . . . 10.0 114.744 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.73 -35.91 57.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.269 1.395 . . . . 10.0 111.81 169.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.79 69.52 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.754 1.02 . . . . 10.0 113.754 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 61.5 mt -51.62 -25.24 6.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.989 1.716 . . . . 10.0 114.373 171.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -125.57 17.77 8.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.891 1.676 . . . . 10.0 113.529 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.33 146.95 37.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.329 0.652 . . . . 10.0 110.622 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -29.33 20.37 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -90.34 -28.04 18.99 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.134 0.974 . . . . 10.0 112.923 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.49 -39.58 88.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.295 0.952 . . . . 10.0 111.923 171.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -56.9 -39.06 73.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 10.0 112.462 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.27 -39.8 82.05 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.577 -0.702 . . . . 10.0 111.902 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.85 -47.64 84.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.632 0.773 . . . . 10.0 111.543 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 9.9 t -54.72 -43.66 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.847 1.659 . . . . 10.0 111.922 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.14 74.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.607 1.163 . . . . 10.0 112.908 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.24 -44.37 97.36 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.532 -0.73 . . . . 10.0 111.121 173.522 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.01 89.39 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.755 0.822 . . . . 10.0 111.642 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.6 -43.81 93.6 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.904 0.774 . . . . 10.0 112.801 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.21 -50.9 69.95 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.562 1.145 . . . . 10.0 112.27 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.73 -32.03 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 118.865 -0.588 . . . . 10.0 112.101 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.54 -42.6 71.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.89 1.223 . . . . 10.0 111.332 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -69.95 -31.57 69.77 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.398 0.999 . . . . 10.0 114.481 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.33 -41.38 69.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.714 1.257 . . . . 10.0 111.571 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.4 mmt -66.84 -40.14 87.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.666 1.186 . . . . 10.0 111.56 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.17 -49.3 78.38 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.22 1.408 . . . . 10.0 112.606 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.5 -30.66 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.375 -0.828 . . . . 10.0 112.834 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.0 m -81.76 -17.36 47.98 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 -174.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.31 142.68 27.71 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.071 0.948 . . . . 10.0 113.272 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -89.18 -4.78 58.12 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.615 1.166 . . . . 10.0 113.958 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 53.7 p -151.94 163.39 39.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.13 1.372 . . . . 10.0 112.229 173.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -61.49 -39.96 92.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.099 0.96 . . . . 10.0 112.674 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.33 -42.29 96.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.778 0.831 . . . . 10.0 112.078 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.36 -36.79 83.79 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.593 -0.692 . . . . 10.0 112.249 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -54.88 42.0 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.797 0.839 . . . . 10.0 111.719 172.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -53.63 -44.59 69.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.247 0.476 . . . . 10.0 112.177 171.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.87 -40.94 99.04 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.425 -0.797 . . . . 10.0 112.361 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.52 -42.24 98.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.084 0.954 . . . . 10.0 112.271 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.9 -48.53 81.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.463 0.574 . . . . 10.0 111.754 173.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.15 -28.53 61.36 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.59 -42.32 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.913 -1.117 . . . . 10.0 111.602 170.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -60.36 -33.84 73.01 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.063 0.847 . . . . 10.0 112.105 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 14.1 mm -68.22 -46.41 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.257 0.935 . . . . 10.0 112.679 173.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -58.47 -48.56 80.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.012 0.824 . . . . 10.0 110.807 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -47.89 -57.98 4.98 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.058 1.743 . . . . 10.0 112.531 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.34 -56.09 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.462 0.705 . . . . 10.0 111.201 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.27 -36.52 69.02 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -66.35 -43.21 86.67 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.822 1.192 . . . . 10.0 112.005 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.51 -41.15 80.37 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.069 0.548 . . . . 10.0 111.893 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.59 -44.64 85.99 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.43 -37.29 72.55 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.543 1.065 . . . . 10.0 112.349 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.32 -42.92 87.81 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.929 -1.107 . . . . 10.0 112.704 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -74.23 -8.22 55.43 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.894 1.278 . . . . 10.0 113.874 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -113.65 -20.13 11.32 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.723 1.609 . . . . 10.0 113.152 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -67.35 -17.35 64.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.857 1.263 . . . . 10.0 112.569 169.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 23.6 m -51.14 114.41 1.19 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.042 1.737 . . . . 10.0 112.326 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 71.38 5.81 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.038 1.335 . . . . 10.0 110.637 175.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.918 2.087 . . . . 10.0 113.268 178.192 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.292 0.092 . . . . 10.0 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -154.44 160.39 41.59 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.204 1.402 . . . . 10.0 111.48 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -140.42 0.54 1.68 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.287 1.835 . . . . 10.0 113.437 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.11 -6.17 34.49 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.754 1.645 . . . . 10.0 114.096 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -151.59 172.55 15.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.665 1.986 . . . . 10.0 111.483 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 11.2 mt -126.88 -49.17 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.225 1.01 . . . . 10.0 109.855 170.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.62 115.38 21.78 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.402 1.481 . . . . 10.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 72.4 Cg_exo -51.79 135.8 50.24 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.657 3.571 . . . . 10.0 112.22 172.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.0 p -63.62 -36.7 84.69 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.745 1.017 . . . . 10.0 113.745 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -70.53 -25.34 63.08 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.671 1.188 . . . . 10.0 113.299 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 47.3 mm -80.0 -41.27 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.132 0.973 . . . . 10.0 110.976 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.5 ttt -52.5 -45.92 66.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.775 0.83 . . . . 10.0 111.343 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.16 -45.16 64.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.332 1.053 . . . . 10.0 113.324 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.15 -46.86 79.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.638 0.775 . . . . 10.0 111.513 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.2 -39.18 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.777 0.831 . . . . 10.0 111.425 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.43 -44.73 82.06 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.288 0.949 . . . . 10.0 112.222 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.02 -27.46 57.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.302 1.223 . . . . 10.0 114.302 -173.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.46 -41.47 63.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 115.206 1.558 . . . . 10.0 115.206 -173.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 44.7 p -76.88 -35.17 1.37 Allowed Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 115.819 1.785 . . . . 10.0 115.819 -171.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.87 170.6 17.79 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 122.998 2.106 . . . . 10.0 111.616 169.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 24.9 m -64.66 -13.02 52.18 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 61.0 mtt -74.54 42.19 0.16 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.152 2.181 . . . . 10.0 113.277 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -56.3 148.43 18.68 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.036 1.334 . . . . 10.0 114.445 -174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -75.23 163.32 27.63 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.979 1.312 . . . . 10.0 113.011 178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 53.9 tp -149.3 145.1 26.88 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.672 1.589 . . . . 10.0 110.339 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 169.45 -171.6 43.22 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.361 0.982 . . . . 10.0 113.695 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.9 164.44 6.45 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.156 1.382 . . . . 10.0 114.346 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 32.7 t -152.95 147.6 19.25 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.735 1.614 . . . . 10.0 110.665 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.43 -9.95 26.98 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.179 2.586 . . . . 10.0 114.385 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -138.49 160.4 39.65 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.523 1.529 . . . . 10.0 111.628 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.254 1.822 . . . . 10.0 111.737 178.084 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 66.8 mttm . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 115.221 1.563 . . . . 10.0 115.221 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -42.23 -45.15 4.04 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 121.969 2.168 . . . . 10.0 116.836 -169.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.31 -47.1 87.49 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.133 0.879 . . . . 10.0 112.633 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -32.68 74.11 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.99 1.316 . . . . 10.0 112.168 174.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . 0.404 ' HA ' ' CE2' ' B' ' 658' ' ' TYR . 29.0 mm -62.4 -52.04 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 119.42 1.009 . . . . 10.0 110.831 172.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.51 -42.02 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.65 0.78 . . . . 10.0 111.964 175.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.76 -52.33 62.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.444 1.498 . . . . 10.0 112.609 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.94 -38.46 82.88 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.76 -0.587 . . . . 10.0 112.277 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.45 -43.27 94.79 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.453 -0.78 . . . . 10.0 111.743 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.8 -32.08 73.61 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.361 1.464 . . . . 10.0 113.362 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.48 -34.75 69.36 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.848 0.859 . . . . 10.0 113.025 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.13 -55.53 5.04 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.574 0.75 . . . . 10.0 111.011 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.6 mtm -56.72 -32.64 65.72 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -171.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 45.4 m -68.6 -20.02 64.48 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -57.69 -33.61 68.55 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.155 1.539 . . . . 10.0 115.155 -169.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.32 -24.09 64.73 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.298 -1.502 . . . . 10.0 114.499 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -78.8 -25.09 44.24 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.407 -0.808 . . . . 10.0 112.48 171.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -77.1 -34.65 56.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.391 1.076 . . . . 10.0 112.018 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.65 -8.34 14.04 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.901 1.28 . . . . 10.0 114.357 176.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -66.55 -9.19 32.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.34 1.456 . . . . 10.0 114.574 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -151.18 -179.69 27.12 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.564 1.078 . . . . 10.0 114.449 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -80.19 -2.52 45.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.13 1.372 . . . . 10.0 114.434 -173.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -137.86 160.27 39.75 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.974 1.71 . . . . 10.0 111.188 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -146.95 158.55 43.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.066 1.346 . . . . 10.0 112.167 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.271 1.828 . . . . 10.0 113.052 175.333 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.873 -0.491 . . . . 10.0 111.873 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.33 146.62 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.291 1.036 . . . . 10.0 111.022 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -63.36 23.29 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.914 2.886 . . . . 10.0 117.632 -174.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -68.7 32.74 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 128.212 2.605 . . . . 10.0 115.149 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -59.63 -18.2 44.2 Favored Glycine 0 CA--C 1.54 1.597 0 O-C-N 120.386 -1.446 . . . . 10.0 114.497 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -56.19 -20.35 17.61 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.98 -22.32 48.74 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.725 1.21 . . . . 10.0 112.97 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -20.35 55.53 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.007 1.323 . . . . 10.0 114.148 173.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -91.09 4.23 52.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 10.0 113.691 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 17.4 t -113.94 153.06 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.679 1.591 . . . . 10.0 111.031 -173.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 63.8 p -132.5 157.3 44.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.703 1.601 . . . . 10.0 110.511 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -59.49 -34.88 73.14 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.456 -0.777 . . . . 10.0 112.142 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -61.88 -40.19 94.56 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.582 -0.699 . . . . 10.0 112.225 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.79 -43.58 88.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.59 -0.719 . . . . 10.0 111.659 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -55.17 -50.04 70.33 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.462 1.028 . . . . 10.0 111.83 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.4 m -56.85 -49.12 76.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.461 1.105 . . . . 10.0 112.639 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -70.43 -37.19 74.36 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.767 -0.635 . . . . 10.0 111.84 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.52 -35.91 82.49 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.742 1.61 . . . . 10.0 112.255 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.4 t -59.38 -48.05 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.037 1.29 . . . . 10.0 109.86 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.15 -47.76 77.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.629 0.772 . . . . 10.0 112.57 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.1 87.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.878 1.271 . . . . 10.0 111.782 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -59.04 5.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.417 1.087 . . . . 10.0 109.345 169.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.02 -44.28 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.927 1.291 . . . . 10.0 112.976 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -58.65 -41.12 85.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.8 0.84 . . . . 10.0 112.936 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.48 -40.26 43.63 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.318 0.647 . . . . 10.0 112.462 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.14 -46.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.943 1.297 . . . . 10.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -141.36 101.43 6.16 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 123.635 0.774 . . . . 10.0 110.25 170.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.47 95.96 0.72 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.077 2.518 . . . . 10.0 109.027 169.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.7 p -54.18 148.69 21.64 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.983 1.713 . . . . 10.0 114.871 -171.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.66 -26.31 19.72 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.302 2.668 . . . . 10.0 113.236 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -161.36 150.21 13.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 126.811 2.044 . . . . 10.0 109.218 -170.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -67.48 -13.71 40.02 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.263 1.975 . . . . 10.0 114.291 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.87 -30.4 61.31 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.647 1.112 . . . . 10.0 111.957 169.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.69 67.85 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.173 -0.954 . . . . 10.0 112.805 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.0 -23.75 48.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.279 1.432 . . . . 10.0 113.803 170.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -104.18 -7.24 20.28 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.069 1.347 . . . . 10.0 114.31 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.25 150.07 49.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.736 0.814 . . . . 10.0 112.147 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -63.39 -27.3 69.21 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.739 -1.225 . . . . 10.0 112.451 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -67.47 -35.44 79.18 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.164 1.385 . . . . 10.0 111.829 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.1 tpt -74.05 -37.09 64.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 10.0 111.732 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.27 -36.86 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.815 -1.178 . . . . 10.0 113.231 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.26 -0.9 . . . . 10.0 111.941 170.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -38.41 86.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.761 0.825 . . . . 10.0 112.642 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -43.8 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.948 1.699 . . . . 10.0 111.586 171.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.65 88.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.043 0.937 . . . . 10.0 112.628 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -57.9 -45.48 86.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.496 1.118 . . . . 10.0 111.914 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.73 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.181 -0.949 . . . . 10.0 112.438 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.83 -44.27 94.15 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.317 0.962 . . . . 10.0 112.353 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -61.1 -46.07 92.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.185 0.994 . . . . 10.0 112.103 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.93 -52.36 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.4 0.546 . . . . 10.0 110.761 174.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -55.51 -45.16 77.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.969 0.804 . . . . 10.0 112.491 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.54 87.52 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.914 0.769 . . . . 10.0 114.178 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.65 -36.49 57.32 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.742 1.271 . . . . 10.0 111.939 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 32.9 mmt -68.35 -40.61 81.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.759 0.824 . . . . 10.0 110.814 175.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.41 -46.75 88.87 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.517 1.527 . . . . 10.0 112.955 172.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.58 -28.2 69.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.895 0.878 . . . . 10.0 112.728 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 67.7 m -87.34 -36.7 17.68 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.168 1.173 . . . . 10.0 114.168 -175.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.26 19.41 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.907 1.818 . . . . 10.0 115.907 -169.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -69.45 -22.81 63.62 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.066 1.746 . . . . 10.0 113.704 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 72.8 p -148.4 165.47 31.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.217 1.407 . . . . 10.0 112.998 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -57.14 -42.38 80.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.068 1.347 . . . . 10.0 112.364 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -43.75 87.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.117 0.967 . . . . 10.0 111.458 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.05 -34.56 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.841 -0.537 . . . . 10.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.1 -60.42 3.86 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.911 1.284 . . . . 10.0 112.096 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -51.32 -44.37 61.95 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 169.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.42 -42.6 99.56 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.023 0.829 . . . . 10.0 112.724 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.03 -44.43 89.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.613 1.165 . . . . 10.0 112.304 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.97 -53.94 50.84 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.2 0.6 . . . . 10.0 110.693 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -32.7 74.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.831 1.252 . . . . 10.0 113.353 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.22 -49.0 66.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.347 1.459 . . . . 10.0 112.226 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -63.16 -40.17 96.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.475 0.71 . . . . 10.0 110.888 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.01 -38.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 124.575 1.15 . . . . 10.0 111.228 169.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 295' ' ' ILE . 0.1 OUTLIER -72.56 -42.9 64.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.655 1.116 . . . . 10.0 112.697 -178.708 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -50.54 -57.6 7.75 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.627 0.649 . . . . 10.0 109.381 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.07 -53.52 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 O-C-N 123.748 0.655 . . . . 10.0 111.431 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.55 -50.11 75.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.223 -0.923 . . . . 10.0 113.114 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.11 -52.21 37.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.145 0.978 . . . . 10.0 112.642 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.54 -31.68 68.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.113 . . . . 10.0 112.828 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.23 -61.6 1.84 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.512 0.725 . . . . 10.0 110.589 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -50.35 74.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.347 1.059 . . . . 10.0 113.752 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.28 -8.68 57.06 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.828 0.851 . . . . 10.0 113.241 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -102.61 -28.15 12.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.188 1.395 . . . . 10.0 112.573 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -33.08 74.91 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.246 1.018 . . . . 10.0 110.912 169.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -57.72 -31.24 66.24 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.95 1.7 . . . . 10.0 113.98 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 17.2 m -65.2 -9.78 26.17 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.591 1.7 . . . . 10.0 115.591 -174.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -63.05 -18.68 63.62 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.376 1.621 . . . . 10.0 115.376 176.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.663 1.985 . . . . 10.0 112.656 -178.777 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 119.584 -0.246 . . . . 10.0 110.417 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -66.7 161.83 22.6 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.813 1.245 . . . . 10.0 112.26 171.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -64.6 159.84 20.97 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.681 1.193 . . . . 10.0 113.296 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -179.68 -175.2 46.28 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.749 1.166 . . . . 10.0 113.403 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -144.38 132.08 21.2 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.11 1.364 . . . . 10.0 110.615 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 8.6 mm -58.89 -23.45 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.92 1.688 . . . . 10.0 113.562 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.4 tp -124.99 82.18 61.72 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.642 1.977 . . . . 10.0 110.444 -170.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.07 143.05 33.04 Favored 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 125.725 4.283 . . . . 10.0 114.689 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 15.8 m -56.0 -42.2 76.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.058 1.503 . . . . 10.0 115.058 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.45 -39.58 81.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.307 0.643 . . . . 10.0 112.652 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -67.24 -45.79 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.192 0.997 . . . . 10.0 110.679 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 60.8 ttp -58.65 -52.48 65.52 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.482 1.113 . . . . 10.0 111.979 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.85 -41.36 74.19 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.792 0.837 . . . . 10.0 113.077 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -61.56 -44.56 96.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.242 0.617 . . . . 10.0 112.114 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.92 -42.24 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.544 -0.722 . . . . 10.0 111.519 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.06 -37.43 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.948 1.249 . . . . 10.0 112.556 177.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.07 -47.42 74.35 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.908 1.283 . . . . 10.0 112.093 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -80.06 -40.7 27.13 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.143 1.534 . . . . 10.0 115.143 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.5 p -59.42 -28.9 5.06 Favored Pre-proline 0 N--CA 1.479 1.02 0 N-CA-C 117.76 2.504 . . . . 10.0 117.76 -173.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -75.12 -14.45 20.88 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 CA-C-N 123.182 2.172 . . . . 10.0 114.145 173.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 50.0 m -77.08 159.53 29.75 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.196 0.999 . . . . 10.0 112.819 178.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 36.5 tpp -152.43 166.84 30.67 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.105 1.362 . . . . 10.0 111.609 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -57.65 165.05 1.77 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.007 1.723 . . . . 10.0 113.505 174.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -138.35 -173.87 3.66 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.829 1.652 . . . . 10.0 112.121 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.16 147.66 19.98 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.055 1.342 . . . . 10.0 112.772 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 169.05 -158.13 30.53 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.807 1.67 . . . . 10.0 112.019 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -141.02 159.74 41.58 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.725 1.21 . . . . 10.0 112.645 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 75.7 m -144.77 155.27 56.2 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.594 1.558 . . . . 10.0 111.734 -173.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.5 166.47 27.17 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.247 2.631 . . . . 10.0 112.348 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -129.46 4.69 5.14 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.978 1.311 . . . . 10.0 113.379 -175.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.255 1.364 0 C-N-CA 126.134 1.774 . . . . 10.0 111.413 -177.517 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.134 0.016 . . . . 10.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -139.15 -51.69 0.54 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.954 1.094 . . . . 10.0 113.954 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.8 -57.96 10.45 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -67.91 -28.09 67.2 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.273 0.629 . . . . 10.0 112.683 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 42.3 mm -63.46 -53.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.416 1.086 . . . . 10.0 110.248 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -61.39 -42.42 98.69 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.221 1.008 . . . . 10.0 111.728 173.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.74 -56.93 14.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.664 1.186 . . . . 10.0 112.263 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.71 -42.56 88.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.768 1.227 . . . . 10.0 111.978 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -64.51 -39.74 94.33 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.159 0.583 . . . . 10.0 111.808 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.91 -25.47 62.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.872 1.669 . . . . 10.0 113.981 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 25.1 mt -51.89 -37.0 50.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.863 1.211 . . . . 10.0 113.625 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.57 -58.18 3.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.317 1.047 . . . . 10.0 112.32 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 70.5 mtm -60.68 -26.64 67.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.655 1.354 . . . . 10.0 114.655 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 90.1 p -68.83 -19.9 64.28 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 174.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.7 m -60.01 -29.72 68.67 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.53 -22.4 55.3 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.391 -1.443 . . . . 10.0 114.197 173.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -79.77 -31.91 40.93 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.321 0.964 . . . . 10.0 112.803 169.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.05 -37.89 89.06 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.099 -1.001 . . . . 10.0 111.948 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.41 -17.66 59.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.575 1.15 . . . . 10.0 113.962 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -72.03 -28.57 63.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.048 0.939 . . . . 10.0 113.09 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 138.19 168.65 11.37 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.521 1.534 . . . . 10.0 113.675 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.46 -24.09 67.5 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.375 1.07 . . . . 10.0 113.026 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -80.32 0.13 34.25 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.502 1.921 . . . . 10.0 113.942 -175.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -121.19 17.87 11.55 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.685 1.594 . . . . 10.0 113.517 -171.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.816 2.046 . . . . 10.0 110.737 -178.376 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 111.565 -0.614 . . . . 10.0 111.565 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 62.0 t -136.89 142.04 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.928 1.691 . . . . 10.0 109.219 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -136.64 163.47 30.49 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.266 1.426 . . . . 10.0 112.139 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -103.99 154.31 19.82 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.494 1.918 . . . . 10.0 111.34 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -153.32 4.19 0.33 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.283 1.273 . . . . 10.0 116.283 -173.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -68.49 -6.43 24.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.963 1.382 . . . . 10.0 114.248 172.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -57.07 -21.78 34.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.896 2.078 . . . . 10.0 114.558 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.41 -24.16 53.79 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.361 1.464 . . . . 10.0 114.077 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.43 -4.55 40.19 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 74.8 t -133.06 157.99 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.562 1.945 . . . . 10.0 110.409 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 12.2 t -147.11 159.48 43.56 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.992 1.317 . . . . 10.0 110.668 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -55.33 -39.3 69.81 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.502 -0.749 . . . . 10.0 112.481 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.16 -28.04 69.13 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.55 -52.19 28.6 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.342 0.657 . . . . 10.0 109.708 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.75 -38.35 81.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.675 1.19 . . . . 10.0 113.561 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.9 m -48.08 -45.32 32.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.709 0.804 . . . . 10.0 112.838 170.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -75.53 -41.36 55.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.472 0.709 . . . . 10.0 111.622 176.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.45 -34.57 77.06 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.155 1.343 . . . . 10.0 112.923 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.88 -48.82 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.188 0.995 . . . . 10.0 109.971 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -60.85 -38.25 84.87 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.905 0.775 . . . . 10.0 112.89 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.26 -46.04 91.18 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.976 1.31 . . . . 10.0 111.663 174.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.37 -53.38 58.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.536 1.134 . . . . 10.0 110.3 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.75 -40.57 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.863 1.265 . . . . 10.0 113.244 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.71 -36.13 83.3 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.022 1.283 . . . . 10.0 112.892 177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.03 73.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.197 0.453 . . . . 10.0 112.158 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 29.3 mt -69.55 -46.17 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.613 0.765 . . . . 10.0 111.452 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.9 104.56 5.26 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.189 0.995 . . . . 10.0 110.618 171.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.47 92.57 0.13 Allowed 'Trans proline' 0 CA--C 1.548 1.197 0 C-N-CA 124.303 3.335 . . . . 10.0 110.676 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.8 t -51.07 143.29 16.48 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 126.297 1.839 . . . . 10.0 114.858 -171.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.68 -25.96 4.09 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.216 2.611 . . . . 10.0 113.011 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -164.98 147.76 7.02 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.106 1.762 . . . . 10.0 110.333 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.33 -12.9 36.31 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.363 2.042 . . . . 10.0 114.322 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.61 -25.06 36.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.931 1.241 . . . . 10.0 112.201 169.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.51 -27.62 67.14 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.924 -1.11 . . . . 10.0 112.338 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.01 -19.47 12.77 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.396 1.478 . . . . 10.0 114.315 171.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -119.79 16.18 12.67 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.393 1.477 . . . . 10.0 114.022 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.18 148.72 43.69 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.628 -0.67 . . . . 10.0 110.95 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -31.59 64.13 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.703 1.201 . . . . 10.0 114.047 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -85.12 -29.32 24.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.69 -34.79 79.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.0 0.818 . . . . 10.0 111.038 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.13 -38.1 72.97 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.731 1.15 . . . . 10.0 113.086 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -66.97 -41.58 86.61 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.604 -0.685 . . . . 10.0 111.527 174.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.92 -45.79 92.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.663 1.185 . . . . 10.0 111.941 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 8.0 t -57.11 -46.43 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.463 1.505 . . . . 10.0 111.699 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.8 89.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.408 1.083 . . . . 10.0 112.613 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -58.97 -45.88 89.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.854 1.262 . . . . 10.0 111.886 171.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.9 89.18 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.959 0.904 . . . . 10.0 112.351 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.34 -44.03 97.45 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.093 0.861 . . . . 10.0 112.4 170.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -46.99 88.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.14 1.376 . . . . 10.0 111.738 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.69 -52.02 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.895 0.878 . . . . 10.0 110.689 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -54.75 -46.8 74.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.349 0.977 . . . . 10.0 111.944 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.99 -27.28 72.04 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.032 0.825 . . . . 10.0 114.418 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -82.09 -39.62 23.12 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.724 1.262 . . . . 10.0 111.348 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 16.9 mmt -65.36 -38.7 90.86 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.909 0.884 . . . . 10.0 111.331 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.34 -25.15 65.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.144 1.778 . . . . 10.0 113.723 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -99.21 -5.1 30.56 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.649 1.18 . . . . 10.0 113.046 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.3 m -107.58 11.46 28.62 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.276 1.431 . . . . 10.0 114.156 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.38 149.75 51.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.774 1.229 . . . . 10.0 113.038 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -5.55 45.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.021 1.328 . . . . 10.0 113.534 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 77.5 p -152.16 162.71 40.72 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.502 1.521 . . . . 10.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -56.0 -42.0 75.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.551 1.14 . . . . 10.0 111.996 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -43.4 95.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.344 1.058 . . . . 10.0 112.007 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.25 -38.57 85.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.618 -0.676 . . . . 10.0 112.071 173.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.3 -51.27 70.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.133 0.973 . . . . 10.0 112.315 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.31 75.62 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 170.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.79 -39.05 87.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.572 0.624 . . . . 10.0 112.388 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.94 -44.14 85.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.635 0.774 . . . . 10.0 112.52 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.33 -46.86 79.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.223 0.919 . . . . 10.0 111.045 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.39 73.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.352 1.061 . . . . 10.0 113.29 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.44 -42.13 99.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.462 -0.774 . . . . 10.0 111.492 171.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -35.25 72.69 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.503 175.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.15 -52.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.735 1.152 . . . . 10.0 109.071 168.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -56.37 -50.88 70.26 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.872 0.869 . . . . 10.0 111.739 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.0 tmpt? -56.01 -51.56 67.33 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.744 0.818 . . . . 10.0 112.086 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.99 -37.78 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.09 0.556 . . . . 10.0 110.491 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -65.18 -48.99 71.53 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.228 -0.92 . . . . 10.0 111.431 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . 0.487 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.2 mmpt? -64.92 -36.07 83.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.646 1.578 . . . . 10.0 112.564 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.44 -52.51 64.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 10.0 111.886 170.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.77 -41.26 86.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.826 1.194 . . . . 10.0 112.212 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -65.73 -0.46 2.16 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -125.67 -35.07 2.57 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 10.0 112.718 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.85 -13.48 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.53 1.532 . . . . 10.0 114.135 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -111.9 -1.03 15.63 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.541 1.537 . . . . 10.0 113.448 171.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -77.24 -23.54 51.29 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.652 1.181 . . . . 10.0 111.998 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 60.8 p -58.63 -12.92 4.64 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.714 2.006 . . . . 10.0 115.941 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -64.69 -24.22 67.51 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.193 1.397 . . . . 10.0 114.015 172.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.364 1.466 . . . . 10.0 112.63 177.685 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.539 0.209 . . . . 10.0 111.294 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -144.31 150.72 38.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.072 1.349 . . . . 10.0 111.524 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -69.71 -21.24 63.5 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.128 1.529 . . . . 10.0 115.128 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 160.47 -39.55 0.44 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.421 1.01 . . . . 10.0 113.559 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -150.4 145.2 25.93 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.397 1.479 . . . . 10.0 110.225 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.87 -26.91 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 127.019 2.128 . . . . 10.0 115.204 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 24.8 tp -110.72 99.7 42.83 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.584 1.954 . . . . 10.0 111.953 -169.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -51.26 148.53 18.52 Favored 'Trans proline' 0 C--N 1.351 0.669 1 C-N-CA 125.785 4.323 . . . . 10.0 114.815 171.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -58.83 -36.26 74.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.4 -37.72 87.82 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.991 0.814 . . . . 10.0 112.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.4 mp -77.18 -44.8 30.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.708 0.803 . . . . 10.0 109.393 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 63.1 ttp -53.92 -51.08 64.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.732 0.696 . . . . 10.0 112.071 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.04 -43.11 66.37 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.084 1.354 . . . . 10.0 112.895 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.11 -46.38 67.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.791 0.837 . . . . 10.0 112.145 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.63 -36.73 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.71 1.204 . . . . 10.0 112.207 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.86 -46.17 79.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.387 0.994 . . . . 10.0 111.84 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -78.89 -45.29 20.92 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -170.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.88 -47.97 70.21 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 37.3 p -64.48 -44.24 74.26 Favored Pre-proline 0 N--CA 1.477 0.893 0 N-CA-C 115.999 1.852 . . . . 10.0 115.999 -171.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.58 -28.44 4.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 CA-C-N 123.083 2.137 . . . . 10.0 114.495 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 65.0 p -158.52 -42.71 0.06 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.397 1.628 . . . . 10.0 115.397 -169.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 44.1 mtt -82.76 43.94 0.88 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.685 1.13 . . . . 10.0 112.42 -175.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -65.81 63.67 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 129.386 3.074 . . . . 10.0 114.189 -170.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -153.51 175.86 12.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.808 1.643 . . . . 10.0 113.276 -172.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.79 81.81 0.45 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.834 1.654 . . . . 10.0 110.188 170.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -69.97 -9.61 63.41 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 117.469 1.748 . . . . 10.0 117.469 -169.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -137.61 -20.4 1.17 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.084 1.942 . . . . 10.0 113.83 -175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 1.8 t -62.48 144.67 95.41 Favored Pre-proline 0 CA--C 1.547 0.828 0 O-C-N 120.969 -1.082 . . . . 10.0 111.817 170.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.55 147.74 29.33 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.775 2.983 . . . . 10.0 114.821 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -132.81 -0.83 3.42 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.055 1.342 . . . . 10.0 113.644 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.807 2.043 . . . . 10.0 111.805 -179.167 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.26 -34.08 66.05 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.706 1.372 . . . . 10.0 114.706 -170.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -55.46 -41.95 73.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.931 0.892 . . . . 10.0 112.628 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -77.98 -30.51 50.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.834 0.853 . . . . 10.0 111.983 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . 0.546 ' HA ' ' CE2' ' B' ' 658' ' ' TYR . 16.5 mm -60.62 -51.11 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.431 0.692 . . . . 10.0 109.766 169.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -63.96 -37.69 88.34 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.177 1.391 . . . . 10.0 112.739 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.96 -52.82 64.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.963 1.305 . . . . 10.0 112.15 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.46 -34.76 79.04 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.613 0.642 . . . . 10.0 112.151 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.66 -43.22 97.36 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.267 -0.896 . . . . 10.0 112.363 171.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.46 -28.56 69.3 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.772 1.229 . . . . 10.0 112.812 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.96 -44.73 70.98 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.7 1.136 . . . . 10.0 112.054 173.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.88 -53.31 21.96 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.801 0.84 . . . . 10.0 111.728 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 19.4 ttp -64.32 -25.24 67.95 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -169.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.8 t -63.47 -19.78 65.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.016 1.727 . . . . 10.0 114.417 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 9.4 m -53.91 -33.4 56.54 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.449 -1.407 . . . . 10.0 114.117 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -61.32 -31.63 71.49 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.351 0.978 . . . . 10.0 113.124 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -77.78 -40.61 40.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.25 1.02 . . . . 10.0 111.497 172.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.38 -34.83 69.25 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.717 1.144 . . . . 10.0 112.331 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 1.9 mp -67.74 -22.27 65.24 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.283 1.833 . . . . 10.0 114.847 172.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -66.77 -37.49 84.7 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.135 0.974 . . . . 10.0 111.661 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 144.42 148.97 4.96 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.825 1.678 . . . . 10.0 112.908 170.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -64.74 -5.35 5.64 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.953 1.834 . . . . 10.0 115.953 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -122.27 9.64 9.83 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.755 1.622 . . . . 10.0 112.97 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -139.77 -12.72 1.12 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.082 1.512 . . . . 10.0 115.082 -172.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.465 2.306 . . . . 10.0 115.423 176.519 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.878 -0.489 . . . . 10.0 111.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.98 128.72 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.427 1.091 . . . . 10.0 110.967 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.3 148.48 51.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.567 1.547 . . . . 10.0 111.657 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -125.79 4.67 7.39 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.997 1.319 . . . . 10.0 113.762 -169.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 78.06 -43.92 2.29 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 126.322 1.915 . . . . 10.0 116.116 169.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -66.69 -13.74 61.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.359 1.615 . . . . 10.0 115.359 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -54.0 -29.31 42.76 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.898 1.679 . . . . 10.0 114.248 -169.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.02 -18.92 38.94 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.248 1.573 . . . . 10.0 115.248 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.8 -9.6 58.71 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.262 1.208 . . . . 10.0 114.262 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.01 152.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.236 1.414 . . . . 10.0 111.197 -174.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.4 t -150.38 161.75 41.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.811 1.645 . . . . 10.0 111.095 -177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -59.94 -29.86 68.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.82 -34.97 78.98 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.273 0.942 . . . . 10.0 112.486 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.53 -54.95 15.61 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.105 0.962 . . . . 10.0 110.093 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.1 -37.29 79.54 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.909 1.077 . . . . 10.0 113.909 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 75.3 m -49.48 -46.4 48.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.935 0.894 . . . . 10.0 112.486 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.54 -35.72 29.96 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.618 0.767 . . . . 10.0 112.604 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.43 -47.55 85.21 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.778 1.172 . . . . 10.0 111.701 176.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.15 -46.16 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.664 1.12 . . . . 10.0 110.713 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.99 -52.29 51.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.277 0.631 . . . . 10.0 111.939 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -72.44 -32.09 66.0 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 10.0 113.258 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -52.88 63.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.527 1.531 . . . . 10.0 108.933 169.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.83 -47.29 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.693 1.597 . . . . 10.0 112.737 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.78 -42.46 84.16 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.991 0.917 . . . . 10.0 112.452 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.83 62.52 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.66 -43.35 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.861 0.864 . . . . 10.0 111.573 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -141.44 96.01 7.11 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.079 0.552 . . . . 10.0 111.431 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -62.98 92.55 0.14 Allowed 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 124.309 3.339 . . . . 10.0 109.736 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.7 p -56.68 148.9 44.36 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 125.41 1.484 . . . . 10.0 114.318 -171.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.75 -29.18 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.991 2.461 . . . . 10.0 113.22 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -157.59 162.36 27.41 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 126.193 1.797 . . . . 10.0 111.316 -174.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.32 -5.56 17.35 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.9 2.4 . . . . 10.0 115.436 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.05 -31.03 15.72 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.947 1.249 . . . . 10.0 111.352 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.61 64.9 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.292 0.951 . . . . 10.0 113.125 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 27.1 mt -53.08 -28.43 25.07 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.492 1.517 . . . . 10.0 114.092 169.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.91 1.64 24.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.077 1.751 . . . . 10.0 113.091 -176.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -60.42 148.82 36.03 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.02 0.827 . . . . 10.0 112.47 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . 0.459 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 0.0 OUTLIER -47.67 -43.4 26.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.173 1.789 . . . . 10.0 113.362 178.097 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -79.29 -29.32 42.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.461 1.504 . . . . 10.0 112.108 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -67.62 -36.71 81.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.445 0.566 . . . . 10.0 111.562 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.38 -34.78 78.47 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.064 -1.022 . . . . 10.0 113.032 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -66.57 -40.75 89.15 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.27 -0.894 . . . . 10.0 111.956 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.6 tt -62.03 -44.78 95.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.164 0.986 . . . . 10.0 111.658 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.8 t -54.89 -45.54 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.804 1.642 . . . . 10.0 112.242 170.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.36 86.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.164 -0.96 . . . . 10.0 112.819 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . 0.49 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.71 -44.33 96.71 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.698 0.799 . . . . 10.0 111.407 170.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.44 97.77 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.602 -0.686 . . . . 10.0 112.26 173.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.23 -45.28 95.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.15 0.886 . . . . 10.0 112.713 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -47.73 84.61 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.858 1.263 . . . . 10.0 111.95 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.73 -36.61 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.551 -0.738 . . . . 10.0 112.321 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.02 -46.09 75.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.497 1.499 . . . . 10.0 112.169 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -67.1 -28.67 73.84 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.491 0.567 . . . . 10.0 114.324 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.18 -36.95 46.8 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.495 1.147 . . . . 10.0 111.801 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -68.67 -35.14 76.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.996 1.319 . . . . 10.0 111.237 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.82 -52.69 62.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.198 1.399 . . . . 10.0 111.958 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.06 -22.48 66.95 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.887 -1.133 . . . . 10.0 114.017 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.2 m -80.55 -4.68 54.9 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.515 1.302 . . . . 10.0 114.515 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -113.45 149.94 33.51 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.502 1.046 . . . . 10.0 113.453 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.57 -0.54 21.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.526 1.531 . . . . 10.0 113.357 175.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.5 p -151.68 160.13 43.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.216 1.406 . . . . 10.0 111.918 171.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.52 74.5 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.48 1.112 . . . . 10.0 112.755 172.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.22 -46.56 83.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.047 0.939 . . . . 10.0 111.917 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.48 -38.73 87.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.299 0.639 . . . . 10.0 112.219 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -57.4 -55.98 27.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 10.0 112.323 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -52.71 -45.79 67.05 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 170.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -62.14 -38.27 88.35 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.606 0.639 . . . . 10.0 112.213 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 55.1 mt -65.82 -44.09 86.63 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.046 0.839 . . . . 10.0 112.764 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 67.7 mt -58.01 -49.65 76.13 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.852 0.751 . . . . 10.0 110.958 171.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.17 67.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.627 1.171 . . . . 10.0 113.686 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.76 -48.35 69.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.95 -1.094 . . . . 10.0 111.629 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.57 -33.44 75.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.815 0.734 . . . . 10.0 112.327 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.2 mm -62.23 -46.78 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.761 1.224 . . . . 10.0 111.307 172.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 295' ' ' ILE . 1.5 t80 -66.56 -42.46 87.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.117 -0.944 . . . . 10.0 110.924 177.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -50.79 -55.77 15.25 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.952 1.251 . . . . 10.0 111.933 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.69 -48.16 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.952 0.901 . . . . 10.0 111.197 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.58 -53.78 46.39 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.62 0.645 . . . . 10.0 112.148 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.64 -34.94 75.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.713 2.405 . . . . 10.0 113.174 -177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.26 -64.1 0.98 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.426 0.69 . . . . 10.0 111.873 170.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.25 -33.88 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -169.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.91 -12.02 22.35 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -108.95 -56.98 2.21 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.895 1.278 . . . . 10.0 110.907 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.45 -12.69 23.38 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 -174.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -119.68 2.51 11.15 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.041 1.337 . . . . 10.0 113.593 175.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.38 -10.68 0.22 Allowed 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 117.579 2.437 . . . . 10.0 117.579 -171.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 22.8 t -52.78 -46.38 67.57 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.227 1.565 . . . . 10.0 115.227 -169.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -124.31 -35.48 2.78 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.418 1.487 . . . . 10.0 112.319 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 127.894 2.478 . . . . 10.0 110.718 -177.77 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.642 0.258 . . . . 10.0 111.146 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.87 -17.92 64.64 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.334 1.054 . . . . 10.0 113.441 172.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -74.16 56.66 0.63 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.064 1.745 . . . . 10.0 113.402 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -66.87 -9.36 52.65 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.316 1.436 . . . . 10.0 115.478 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -136.98 159.72 41.04 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.687 1.995 . . . . 10.0 109.822 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.7 mt -75.32 21.31 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 125.183 1.393 . . . . 10.0 112.747 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.3 tp -132.67 83.8 52.37 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 129.104 2.962 . . . . 10.0 106.694 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . 0.49 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 12.5 Cg_exo -39.87 132.92 1.88 Allowed 'Trans proline' 0 C--N 1.35 0.65 1 C-N-CA 126.801 5.001 . . . . 10.0 114.492 177.529 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 49.1 p -52.05 -41.41 62.29 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.264 1.95 . . . . 10.0 116.264 -169.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.42 -34.03 76.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.443 -0.785 . . . . 10.0 112.811 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 2.0 mp -78.88 -41.13 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.7 0.8 . . . . 10.0 109.883 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 44.2 ttm -49.5 -54.22 19.08 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.537 1.135 . . . . 10.0 110.861 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.16 -39.24 66.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 10.0 113.556 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.66 -43.05 97.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.45 0.7 . . . . 10.0 112.1 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.68 -46.3 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.922 0.783 . . . . 10.0 111.598 174.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.27 -31.37 70.16 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.153 0.888 . . . . 10.0 112.927 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -78.62 -42.12 29.72 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.067 1.347 . . . . 10.0 112.744 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -79.98 -42.86 23.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.225 1.195 . . . . 10.0 114.225 -174.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 35.9 p -66.4 -29.1 2.65 Favored Pre-proline 0 N--CA 1.475 0.814 0 N-CA-C 117.553 2.427 . . . . 10.0 117.553 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -73.07 92.23 0.82 Allowed 'Trans proline' 0 C--N 1.355 0.901 0 CA-C-N 123.389 2.246 . . . . 10.0 112.558 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 14.7 m -151.39 147.97 27.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.243 1.817 . . . . 10.0 110.407 171.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -23.86 63.76 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.901 1.445 . . . . 10.0 114.901 -176.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -70.52 -20.93 62.79 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.072 1.349 . . . . 10.0 113.791 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -75.23 169.72 17.49 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.952 0.901 . . . . 10.0 112.106 173.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 4.3 pp -142.54 163.43 32.85 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.867 1.267 . . . . 10.0 112.479 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 163.38 155.47 8.18 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.765 1.174 . . . . 10.0 113.403 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.96 173.16 14.85 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.517 1.527 . . . . 10.0 111.712 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 9.7 m -154.44 148.72 19.26 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.882 1.273 . . . . 10.0 111.306 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -79.47 -9.78 14.81 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.916 3.077 . . . . 10.0 113.963 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -148.27 143.67 27.11 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.991 1.716 . . . . 10.0 110.219 -171.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.685 1.594 . . . . 10.0 112.686 -178.019 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.983 0.42 . . . . 10.0 110.751 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.29 -52.63 0.07 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 -171.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -66.39 -49.42 66.88 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.656 1.116 . . . . 10.0 111.077 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -21.59 63.41 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.499 1.296 . . . . 10.0 114.499 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 34.9 mm -69.55 -53.7 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.635 1.174 . . . . 10.0 109.768 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -66.67 -42.48 86.49 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.395 0.678 . . . . 10.0 111.448 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.25 -47.65 80.84 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.943 1.297 . . . . 10.0 113.031 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.88 -46.53 90.24 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.076 0.853 . . . . 10.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.14 -40.31 85.1 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 121.406 0.622 . . . . 10.0 110.881 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.22 -20.1 63.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.033 2.133 . . . . 10.0 115.283 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.96 -38.71 86.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.938 1.699 . . . . 10.0 112.377 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.42 -33.01 70.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.28 0.632 . . . . 10.0 112.175 169.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -71.8 -36.58 70.33 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 10.0 111.183 -176.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 18.3 t -53.49 -28.4 30.73 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.262 1.425 . . . . 10.0 112.689 172.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 38.9 m -55.34 -45.8 76.41 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.105 0.962 . . . . 10.0 112.724 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.11 -34.92 68.98 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.131 -0.981 . . . . 10.0 111.576 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -61.67 -41.97 98.28 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.404 -0.81 . . . . 10.0 112.176 173.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.2 -23.86 66.52 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.971 1.308 . . . . 10.0 114.103 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.95 -26.85 11.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.833 1.253 . . . . 10.0 113.709 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -148.22 1.63 0.64 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -170.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 79.43 174.47 46.09 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 122.259 0.922 . . . . 10.0 114.475 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.98 18.05 0.07 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.937 2.095 . . . . 10.0 115.345 -177.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.63 -14.17 28.55 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.441 1.645 . . . . 10.0 115.441 -171.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -132.7 14.36 4.41 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.744 1.618 . . . . 10.0 113.203 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.35 1.86 . . . . 10.0 113.336 -179.447 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 CA-C-O 119.541 -0.588 . . . . 10.0 111.923 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.78 147.0 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 125.421 1.488 . . . . 10.0 111.559 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -105.84 35.24 2.96 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.89 1.676 . . . . 10.0 114.028 -169.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.92 52.64 0.15 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.824 2.049 . . . . 10.0 113.573 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -77.24 -13.15 83.91 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.198 1.38 . . . . 10.0 114.439 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -60.12 -13.64 13.0 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.328 1.603 . . . . 10.0 115.328 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -58.39 -21.73 51.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.292 1.437 . . . . 10.0 112.915 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.79 -21.03 64.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 172.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -87.63 3.66 46.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.792 1.237 . . . . 10.0 113.478 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 40.6 t -112.19 150.43 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.567 1.547 . . . . 10.0 111.673 -169.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 70.4 p -135.09 158.09 45.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.048 1.739 . . . . 10.0 110.8 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.26 -32.73 72.55 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.269 -0.894 . . . . 10.0 112.102 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.29 -43.06 99.5 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.137 0.975 . . . . 10.0 112.13 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.48 -46.49 88.22 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.313 0.645 . . . . 10.0 111.467 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -57.55 -48.96 77.89 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.806 0.73 . . . . 10.0 111.353 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 64.6 m -58.4 -50.12 74.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.036 . . . . 10.0 112.683 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -73.63 -36.71 65.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.876 0.47 . . . . 10.0 111.992 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.7 -40.54 95.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.657 1.117 . . . . 10.0 111.971 172.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.15 -44.23 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.585 1.084 . . . . 10.0 111.035 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.17 -46.69 82.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.132 0.878 . . . . 10.0 112.159 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -60.25 -43.46 96.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.355 1.062 . . . . 10.0 111.842 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -56.39 19.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.559 1.144 . . . . 10.0 110.543 170.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -47.28 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.015 1.326 . . . . 10.0 112.195 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -64.22 -36.92 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.584 0.629 . . . . 10.0 112.641 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.86 66.13 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 27.4 mt -67.7 -54.3 24.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 121.714 -0.616 . . . . 10.0 109.917 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -141.14 102.86 6.16 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.105 0.962 . . . . 10.0 110.048 173.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.52 101.54 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.052 2.501 . . . . 10.0 109.4 169.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.2 p -56.05 147.6 44.07 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.453 1.501 . . . . 10.0 114.321 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.34 -33.61 23.26 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 112.893 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -150.84 159.69 33.58 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.715 2.406 . . . . 10.0 109.116 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.16 -15.86 39.63 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.62 2.214 . . . . 10.0 113.328 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.06 -33.29 74.29 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.325 -0.86 . . . . 10.0 112.066 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.07 -26.53 66.78 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.396 -0.815 . . . . 10.0 113.033 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.96 -22.6 49.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.789 1.236 . . . . 10.0 113.377 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 3.42 26.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.322 1.849 . . . . 10.0 112.931 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.96 140.12 58.35 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.362 -0.836 . . . . 10.0 111.813 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -3.04 0.11 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.479 2.029 . . . . 10.0 116.479 177.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -116.96 -28.04 6.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.171 1.789 . . . . 10.0 112.906 174.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 15.6 tpt -62.17 -28.34 69.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.396 0.998 . . . . 10.0 112.091 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -55.54 -27.46 49.06 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -72.52 -40.07 67.07 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.388 0.994 . . . . 10.0 111.755 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.49 -46.55 85.63 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.271 1.428 . . . . 10.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.93 -45.23 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.798 1.639 . . . . 10.0 112.1 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.09 94.66 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.414 1.006 . . . . 10.0 112.255 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.33 -45.9 90.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.522 1.129 . . . . 10.0 111.849 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.79 98.14 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 10.0 111.945 174.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.16 -31.6 72.86 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.866 0.867 . . . . 10.0 113.168 173.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.8 -46.48 58.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.558 1.143 . . . . 10.0 111.923 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.21 -50.12 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.276 0.63 . . . . 10.0 109.981 171.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -47.32 -56.25 7.2 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.965 1.306 . . . . 10.0 112.426 173.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.8 -35.51 91.39 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 123.304 0.478 . . . . 10.0 113.872 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.11 -38.77 51.55 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.302 1.051 . . . . 10.0 111.845 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.4 mmt -68.43 -40.89 81.0 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.106 0.962 . . . . 10.0 111.011 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.28 -45.69 90.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.325 1.45 . . . . 10.0 112.924 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.2 -30.38 70.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.816 0.846 . . . . 10.0 112.679 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -78.58 -34.05 47.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.963 1.097 . . . . 10.0 113.963 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.91 131.6 41.62 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -77.0 -18.8 57.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.678 1.591 . . . . 10.0 113.786 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.7 p -145.97 162.98 36.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.297 1.439 . . . . 10.0 112.9 176.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -57.24 -44.52 83.91 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.796 1.239 . . . . 10.0 112.623 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.13 -44.05 95.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.418 1.087 . . . . 10.0 112.245 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.95 -38.14 85.59 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.63 -0.669 . . . . 10.0 112.316 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.82 -55.29 36.96 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.011 1.324 . . . . 10.0 111.918 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -50.0 -47.73 52.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.767 0.827 . . . . 10.0 112.211 169.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -65.3 -41.58 93.96 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.325 -0.859 . . . . 10.0 112.404 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.68 -38.94 92.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.609 1.164 . . . . 10.0 112.442 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.24 -48.81 78.29 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.845 0.748 . . . . 10.0 111.311 169.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.25 -28.77 69.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.43 -40.57 93.49 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.338 -0.851 . . . . 10.0 112.619 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -37.53 72.33 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.622 1.101 . . . . 10.0 111.985 174.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.2 mt -54.74 -54.22 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 118.738 0.699 . . . . 10.0 109.472 169.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -53.23 -56.09 19.26 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.969 0.908 . . . . 10.0 111.664 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -52.02 -58.39 6.67 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.032 0.933 . . . . 10.0 112.731 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.222 0.464 . . . . 10.0 110.127 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -69.02 -58.15 4.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.861 -0.524 . . . . 10.0 112.335 -175.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -70.07 -23.89 63.15 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.001 0.819 . . . . 10.0 113.176 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -68.64 -55.78 10.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.582 0.753 . . . . 10.0 111.727 170.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.43 -37.29 82.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.163 0.892 . . . . 10.0 112.692 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.48 1.97 1.04 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.089 1.514 . . . . 10.0 115.089 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -124.01 -42.7 2.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.451 1.5 . . . . 10.0 111.754 170.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -65.86 -9.96 33.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.029 1.732 . . . . 10.0 114.801 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -113.38 6.85 17.42 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.774 1.629 . . . . 10.0 113.94 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -128.85 21.95 5.85 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.788 1.235 . . . . 10.0 114.207 170.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 36.3 t -142.95 123.1 13.69 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.206 1.402 . . . . 10.0 110.363 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 -75.65 -24.01 56.35 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.064 1.346 . . . . 10.0 113.575 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.783 2.033 . . . . 10.0 112.908 -174.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 119.126 -0.464 . . . . 10.0 110.634 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -147.5 5.91 0.82 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.321 1.448 . . . . 10.0 113.545 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -150.4 172.11 15.95 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.623 1.569 . . . . 10.0 112.147 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 177.07 -19.66 0.04 OUTLIER Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.352 0.977 . . . . 10.0 115.081 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -64.92 18.83 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 128.535 2.734 . . . . 10.0 116.38 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 13.6 mm -58.74 -27.13 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 126.09 1.756 . . . . 10.0 113.73 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.93 90.42 48.59 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.183 1.793 . . . . 10.0 109.528 -169.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.25 139.42 27.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 125.178 3.919 . . . . 10.0 113.595 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.3 m -57.73 -33.68 68.7 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.565 1.32 . . . . 10.0 114.565 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.82 -38.26 73.24 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.53 -0.731 . . . . 10.0 112.811 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.96 -43.38 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.495 0.718 . . . . 10.0 109.378 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 53.7 ttm -50.94 -53.51 32.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.067 1.347 . . . . 10.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.42 -37.73 75.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -175.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.67 -38.43 90.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.197 0.599 . . . . 10.0 112.122 173.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.19 -49.09 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.941 0.791 . . . . 10.0 110.896 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.91 -32.4 72.79 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -71.63 -41.43 68.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.772 1.229 . . . . 10.0 113.243 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -80.15 -42.79 22.79 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.687 1.366 . . . . 10.0 114.687 -173.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.8 p -72.23 -33.0 2.15 Favored Pre-proline 0 N--CA 1.476 0.828 0 N-CA-C 117.704 2.483 . . . . 10.0 117.704 -169.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -88.69 -30.52 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.931 0 CA-C-N 123.191 2.175 . . . . 10.0 114.617 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 35.4 p -161.18 39.46 0.15 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.434 1.094 . . . . 10.0 112.755 -168.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 22.3 ptp 0.31 72.2 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 129.311 3.044 . . . . 10.0 116.563 -169.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -70.4 93.41 0.87 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.423 1.889 . . . . 10.0 111.423 -173.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -58.93 147.68 33.24 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.282 1.033 . . . . 10.0 113.103 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 67.6 tp -153.8 139.45 17.9 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.552 1.541 . . . . 10.0 110.075 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -81.27 -34.89 25.01 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.917 0.77 . . . . 10.0 114.27 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.4 162.93 26.07 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.004 1.721 . . . . 10.0 113.875 -175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 63.5 m -121.83 143.68 39.04 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.822 1.649 . . . . 10.0 111.383 170.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -54.33 -36.74 87.92 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.348 2.699 . . . . 10.0 113.95 170.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -154.27 149.99 27.55 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.283 1.833 . . . . 10.0 109.962 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 63.4 p . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.802 1.641 . . . . 10.0 113.611 -179.335 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.318 -0.848 . . . . 10.0 113.285 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -38.84 -45.4 1.15 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 116.68 2.104 . . . . 10.0 116.68 -169.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.12 -49.5 73.7 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.537 -0.727 . . . . 10.0 112.136 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -66.99 -30.94 71.19 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.399 1.079 . . . . 10.0 112.559 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 295' ' ' ILE . . . . . 0.414 ' HA ' ' CE2' ' B' ' 658' ' ' TYR . 19.0 mm -58.93 -54.12 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.361 0.982 . . . . 10.0 109.484 172.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.59 -42.56 99.63 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.164 0.986 . . . . 10.0 112.619 175.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.12 -53.8 54.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.476 1.511 . . . . 10.0 112.561 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.51 -30.67 69.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.226 0.611 . . . . 10.0 112.254 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -64.46 -44.0 92.47 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.669 -0.644 . . . . 10.0 112.063 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.3 tp -67.87 -24.5 65.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.759 1.624 . . . . 10.0 113.685 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 67.4 mt -51.73 -47.82 63.87 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.16 0.891 . . . . 10.0 112.595 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.21 -46.9 86.84 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.356 1.062 . . . . 10.0 111.663 177.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 57.4 mtt -59.53 -33.2 71.09 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.564 1.145 . . . . 10.0 113.099 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.1 t -61.79 -24.81 67.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.099 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 29.3 m -51.5 -34.02 34.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.839 1.656 . . . . 10.0 114.636 -174.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.56 -36.01 75.35 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -74.67 -42.52 58.3 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.857 0.863 . . . . 10.0 111.735 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.19 -33.65 76.51 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.732 0.813 . . . . 10.0 112.801 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 6.5 mp -71.36 -20.73 62.12 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.449 1.099 . . . . 10.0 113.763 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.88 -37.39 20.67 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.872 0.869 . . . . 10.0 111.843 169.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 72.06 -29.64 0.66 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.363 1.935 . . . . 10.0 116.523 171.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -134.41 34.71 3.24 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.3 2.24 . . . . 10.0 110.406 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.3 124.09 12.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.455 1.902 . . . . 10.0 112.612 -178.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -150.68 23.84 0.78 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.185 1.394 . . . . 10.0 113.029 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.538 1.935 . . . . 10.0 111.374 -171.269 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 112.01 -0.436 . . . . 10.0 112.01 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 65.1 t -136.57 120.17 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 125.284 1.434 . . . . 10.0 109.851 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -92.63 -21.73 19.87 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.685 1.735 . . . . 10.0 115.685 -171.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -141.25 -43.52 0.37 Allowed 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.397 1.479 . . . . 10.0 113.798 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 86.15 8.59 78.28 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.549 1.379 . . . . 10.0 116.549 171.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -141.55 -14.91 0.84 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.626 1.713 . . . . 10.0 115.626 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -68.37 -17.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.634 0.774 . . . . 10.0 112.734 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.72 -13.29 3.85 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.935 2.094 . . . . 10.0 116.073 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -127.37 5.56 6.31 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.882 1.438 . . . . 10.0 114.882 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.66 140.74 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.114 -0.991 . . . . 10.0 109.754 170.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 87.4 m -135.98 146.95 47.77 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.113 1.365 . . . . 10.0 110.408 -172.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -57.17 -34.65 68.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.334 1.053 . . . . 10.0 113.723 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.7 -42.4 99.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.577 0.751 . . . . 10.0 112.237 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.88 -50.09 70.16 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.774 0.829 . . . . 10.0 110.505 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.89 -49.43 65.9 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.073 1.349 . . . . 10.0 112.806 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 62.2 m -61.49 -51.2 69.65 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.728 1.211 . . . . 10.0 112.141 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -67.19 -41.56 85.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 119.058 -0.496 . . . . 10.0 111.586 -177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.75 -43.17 98.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.275 0.943 . . . . 10.0 112.659 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.72 -49.18 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.709 1.14 . . . . 10.0 111.197 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -58.49 -41.78 86.1 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.569 0.622 . . . . 10.0 112.161 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -68.41 -34.83 76.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.136 1.374 . . . . 10.0 112.885 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.22 -54.02 50.72 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.066 1.346 . . . . 10.0 108.789 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.55 -47.03 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.345 1.858 . . . . 10.0 113.022 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.87 -44.92 91.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.492 1.117 . . . . 10.0 112.601 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.24 77.05 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.3 -47.32 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.035 0.934 . . . . 10.0 111.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 612' ' ' PHE . . . . . 0.403 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 0.5 OUTLIER -133.03 99.27 15.1 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.237 0.615 . . . . 10.0 110.501 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.06 99.04 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 124.391 3.394 . . . . 10.0 110.22 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 81.8 p -47.08 151.39 1.19 Allowed Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 128.709 2.804 . . . . 10.0 116.792 -169.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.403 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 94.3 Cg_endo -79.34 -38.44 0.41 Allowed 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.558 2.839 . . . . 10.0 111.183 170.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -157.8 158.49 30.35 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 129.288 3.035 . . . . 10.0 108.377 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -70.48 -19.82 32.23 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.825 2.35 . . . . 10.0 112.461 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.23 66.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.89 1.276 . . . . 10.0 113.761 170.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.42 -39.37 81.62 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.33 -0.856 . . . . 10.0 112.369 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 69.7 mt -60.93 -28.33 68.86 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.451 1.501 . . . . 10.0 114.112 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -97.97 7.59 46.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.659 1.583 . . . . 10.0 113.613 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -116.87 159.12 22.86 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.159 1.383 . . . . 10.0 112.309 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -32.81 55.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.451 1.501 . . . . 10.0 112.949 -174.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -57.85 -22.96 50.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.826 2.05 . . . . 10.0 114.985 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 68.2 mtp -119.25 -17.08 8.96 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 117.989 -1.005 . . . . 10.0 112.571 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -54.11 -37.14 63.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.036 1.744 . . . . 10.0 112.395 169.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.51 -49.28 77.96 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.018 1.327 . . . . 10.0 111.85 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.87 -42.74 85.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.163 1.385 . . . . 10.0 112.379 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.89 -45.24 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.075 2.15 . . . . 10.0 112.173 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.58 89.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.213 1.005 . . . . 10.0 112.332 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 631' ' ' TYR . . . . . 0.415 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -61.69 -42.56 99.1 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.361 1.064 . . . . 10.0 112.214 170.444 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.24 98.14 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.414 -0.804 . . . . 10.0 111.573 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.01 -45.29 93.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.2 0.909 . . . . 10.0 112.443 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.48 -46.78 87.83 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.568 1.147 . . . . 10.0 112.345 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.76 -42.07 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.402 0.681 . . . . 10.0 111.81 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -53.15 -42.53 66.2 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.334 0.97 . . . . 10.0 111.595 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.07 -29.94 76.35 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.462 1.029 . . . . 10.0 114.545 176.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.66 -40.53 28.9 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.102 1.451 . . . . 10.0 111.529 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -62.11 -39.7 93.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.564 0.746 . . . . 10.0 111.113 172.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.96 -49.06 74.01 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.541 1.936 . . . . 10.0 113.621 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -61.5 -22.38 65.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.291 1.036 . . . . 10.0 113.56 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.5 m -107.71 -20.23 13.28 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.602 1.704 . . . . 10.0 115.602 -170.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.8 133.72 36.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.483 1.038 . . . . 10.0 113.297 -174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.09 3.42 51.83 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 174.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.2 p -152.2 158.65 43.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.885 1.274 . . . . 10.0 111.053 169.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -64.03 -37.89 89.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.242 0.617 . . . . 10.0 112.25 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.97 -42.86 99.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 10.0 112.203 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.14 -39.89 86.66 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.563 -0.711 . . . . 10.0 112.127 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.46 -52.81 63.87 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.176 0.99 . . . . 10.0 111.756 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -53.81 -47.85 70.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 170.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.54 -45.1 89.58 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.039 0.836 . . . . 10.0 111.716 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.75 -43.86 97.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.239 1.015 . . . . 10.0 112.782 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.23 -56.7 18.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.087 0.858 . . . . 10.0 111.276 170.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.99 -26.84 62.4 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 -169.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.77 -44.98 65.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.849 -1.157 . . . . 10.0 111.381 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -38.47 75.5 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.669 0.668 . . . . 10.0 110.926 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 11.2 mm -63.34 -52.59 56.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.927 1.291 . . . . 10.0 111.759 173.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 658' ' ' TYR . . . . . 0.414 ' CE2' ' HA ' ' A' ' 295' ' ' ILE . 3.2 t80 -64.57 -36.87 85.61 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.079 1.309 . . . . 10.0 111.667 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -50.38 70.12 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.775 0.716 . . . . 10.0 112.172 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.47 -40.61 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.443 0.565 . . . . 10.0 110.713 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.14 -51.73 62.47 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -74.39 -23.87 59.04 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.1 -52.24 60.18 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.68 0.673 . . . . 10.0 110.352 169.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.53 -48.08 83.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.993 0.917 . . . . 10.0 111.772 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -57.76 -18.45 21.5 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.32 -60.24 1.59 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.292 -0.88 . . . . 10.0 112.009 171.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -62.7 -22.28 66.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.652 0.982 . . . . 10.0 113.652 -171.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -97.93 -6.86 31.32 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.224 1.409 . . . . 10.0 113.109 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -114.27 -34.65 5.24 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.165 1.386 . . . . 10.0 113.252 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 29.3 m -74.13 49.74 0.36 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.458 1.903 . . . . 10.0 112.786 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -133.68 17.53 3.92 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.504 2.322 . . . . 10.0 111.4 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.776 2.031 . . . . 10.0 112.942 -179.176 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 119.451 -0.309 . . . . 10.0 111.807 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.3 -22.76 66.3 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -146.11 172.89 12.75 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.723 2.009 . . . . 10.0 110.8 169.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -169.03 41.49 0.22 Allowed Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.737 1.161 . . . . 10.0 113.308 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -141.67 159.46 42.18 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.856 1.663 . . . . 10.0 111.324 -172.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 26.1 mm -60.91 -22.85 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.947 0.899 . . . . 10.0 112.805 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 60.4 tp -125.35 88.3 54.37 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.59 1.556 . . . . 10.0 108.397 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 846' ' ' PRO . . . . . 0.415 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 13.8 Cg_exo -41.89 134.34 3.93 Favored 'Trans proline' 0 C--N 1.352 0.712 1 C-N-CA 126.655 4.903 . . . . 10.0 114.374 174.075 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 59.1 p -55.51 -38.21 68.9 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.441 1.645 . . . . 10.0 115.441 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -44.39 94.04 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.383 1.073 . . . . 10.0 112.641 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.08 -35.69 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.46 1.104 . . . . 10.0 111.44 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 57.8 ttp -53.45 -54.23 39.9 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.016 0.926 . . . . 10.0 110.512 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.52 -41.59 66.53 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.333 1.053 . . . . 10.0 112.945 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -70.13 -41.18 74.27 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.83 -42.99 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.066 -1.022 . . . . 10.0 111.257 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.44 -28.74 69.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.061 0.846 . . . . 10.0 112.633 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -74.71 -46.78 35.4 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.163 1.385 . . . . 10.0 112.436 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -80.08 -42.53 23.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 82.7 p -80.1 -11.87 0.18 Allowed Pre-proline 0 N--CA 1.482 1.146 0 N-CA-C 119.043 2.979 . . . . 10.0 119.043 -170.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -78.68 10.03 3.0 Favored 'Trans proline' 0 C--N 1.359 1.098 0 CA-C-N 124.534 2.655 . . . . 10.0 114.347 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 11.7 t -60.6 171.13 1.2 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.365 1.066 . . . . 10.0 112.108 169.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 47.2 ttm -55.21 -21.84 15.43 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.854 1.262 . . . . 10.0 114.183 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -54.71 -24.25 21.22 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.086 1.143 . . . . 10.0 114.086 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -78.02 -12.86 60.02 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.48 -8.41 0.23 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 117.917 2.562 . . . . 10.0 117.917 -169.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -175.87 20.01 0.05 OUTLIER Glycine 0 CA--C 1.538 1.475 0 N-CA-C 117.462 1.745 . . . . 10.0 117.462 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -142.62 165.99 25.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.177 1.391 . . . . 10.0 110.675 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 66.2 m -134.51 155.15 79.9 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 125.722 1.609 . . . . 10.0 111.837 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.15 -5.35 16.18 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.564 2.842 . . . . 10.0 114.412 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.74 160.15 42.59 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.665 1.586 . . . . 10.0 112.152 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.254 1.328 0 C-N-CA 126.335 1.854 . . . . 10.0 114.423 -175.404 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 111.609 0.225 . . . . 10.0 111.609 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.45 -52.5 64.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.663 1.185 . . . . 10.0 112.135 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 8.3 tt -58.98 -46.9 86.98 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.106 0.962 . . . . 10.0 112.323 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.12 -41.75 99.4 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.455 0.702 . . . . 10.0 111.715 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 58.6 tp -71.01 -39.0 72.65 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.889 1.276 . . . . 10.0 113.232 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.69 -40.74 60.63 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.132 1.373 . . . . 10.0 113.679 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.81 -56.5 4.62 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.322 0.649 . . . . 10.0 111.298 174.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.79 -20.17 66.23 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 95.9 p -70.71 -20.38 62.66 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.096 1.147 . . . . 10.0 114.096 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.6 m -58.32 -41.93 85.64 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.789 1.177 . . . . 10.0 113.249 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.547 0.856 0 O-C-N 121.045 -1.034 . . . . 10.0 112.977 177.033 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.618 -0.593 . . . . 10.0 111.618 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -124.46 -12.34 7.27 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.373 1.469 . . . . 10.0 114.279 -171.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -61.5 -34.16 75.02 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.121 1.369 . . . . 10.0 111.721 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.12 -18.51 61.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.153 1.781 . . . . 10.0 115.102 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -83.65 -19.78 34.78 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.267 0.939 . . . . 10.0 113.369 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 18.0 t -77.08 155.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 10.0 110.647 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 48.0 p -128.81 158.11 39.61 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.994 1.317 . . . . 10.0 110.834 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.04 -38.19 82.01 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.752 -0.592 . . . . 10.0 111.546 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.73 -43.8 97.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.851 0.86 . . . . 10.0 112.149 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.28 -48.72 78.63 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 122.956 0.502 . . . . 10.0 110.408 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.14 -51.66 61.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.54 1.136 . . . . 10.0 112.56 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 72.2 m -58.69 -53.33 59.63 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.248 1.019 . . . . 10.0 112.463 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -69.6 -34.76 74.57 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.853 -0.594 . . . . 10.0 112.403 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.79 -41.76 87.08 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.443 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.85 -47.03 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 120.385 1.448 . . . . 10.0 110.72 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -51.47 66.32 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.895 0.878 . . . . 10.0 112.047 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -71.38 -25.29 62.3 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.741 0.816 . . . . 10.0 112.364 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.459 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.3 tp -59.5 -53.78 54.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.036 0.934 . . . . 10.0 108.503 168.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 57.7 t -54.97 -44.55 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.572 1.149 . . . . 10.0 112.723 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -57.65 -32.65 67.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.773 1.027 . . . . 10.0 113.773 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -96.47 -27.81 14.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.085 0.772 . . . . 10.0 113.085 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.83 -47.27 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.325 0.65 . . . . 10.0 110.302 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -146.98 102.19 3.86 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 123.473 0.709 . . . . 10.0 109.923 169.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.9 -7.03 3.01 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 124.937 3.758 . . . . 10.0 117.168 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 82.4 p 58.19 151.99 0.08 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 129.446 3.099 . . . . 10.0 116.498 -170.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.74 -34.89 8.36 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.02 2.48 . . . . 10.0 112.491 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -155.52 158.29 31.82 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 128.151 2.581 . . . . 10.0 109.058 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -68.78 -19.93 40.43 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.594 2.196 . . . . 10.0 113.579 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.53 74.17 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.342 -0.848 . . . . 10.0 113.036 169.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.7 64.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.222 -0.924 . . . . 10.0 113.251 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.25 -26.85 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.102 0.961 . . . . 10.0 112.541 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -94.89 -17.21 22.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.295 1.438 . . . . 10.0 113.406 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -64.21 143.8 57.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.201 1.0 . . . . 10.0 112.865 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -27.6 44.09 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.664 1.727 . . . . 10.0 115.664 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -71.08 -27.37 63.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.524 1.056 . . . . 10.0 112.715 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -64.97 -24.31 67.48 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.381 0.672 . . . . 10.0 112.502 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.657 -1.277 . . . . 10.0 113.338 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.5 -43.92 75.82 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.498 -0.751 . . . . 10.0 111.375 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -47.55 85.54 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.884 1.674 . . . . 10.0 110.961 174.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -59.49 -47.04 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.461 1.904 . . . . 10.0 112.527 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.66 91.93 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.151 -0.968 . . . . 10.0 112.14 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.3 -47.52 83.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.226 1.01 . . . . 10.0 111.732 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.56 95.44 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.543 -0.723 . . . . 10.0 112.452 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.01 -44.76 96.94 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.082 0.855 . . . . 10.0 112.424 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.77 -45.37 90.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.284 1.034 . . . . 10.0 112.23 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.8 -49.2 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.168 0.987 . . . . 10.0 110.665 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -55.11 -46.26 75.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.26 0.937 . . . . 10.0 112.113 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.65 -35.54 91.22 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.71 0.672 . . . . 10.0 114.092 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.86 -37.32 67.42 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.473 1.137 . . . . 10.0 111.849 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 17.4 mmt -72.12 -35.22 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.691 1.196 . . . . 10.0 111.421 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.79 -50.98 70.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.372 1.469 . . . . 10.0 111.67 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.89 -25.5 67.2 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.412 -0.805 . . . . 10.0 113.015 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -80.08 2.69 22.97 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.99 54.28 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -7.91 57.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.818 1.247 . . . . 10.0 113.612 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 64.4 p -147.16 161.19 41.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.723 1.609 . . . . 10.0 112.209 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 27.1 ttp-105 -62.32 -38.17 88.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.987 0.915 . . . . 10.0 112.529 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.41 -44.81 95.56 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 10.0 112.355 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.43 -38.4 87.34 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.573 -0.704 . . . . 10.0 112.136 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -58.0 -55.23 37.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.428 1.091 . . . . 10.0 111.829 173.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -53.2 -45.23 68.49 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.734 1.013 . . . . 10.0 113.734 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -59.15 -45.4 91.07 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.133 0.573 . . . . 10.0 111.825 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.91 -42.96 89.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.823 0.849 . . . . 10.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 64.4 mt -55.54 -55.86 27.02 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.173 0.897 . . . . 10.0 110.801 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.73 -32.57 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.968 0.907 . . . . 10.0 113.296 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.72 -43.91 78.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.005 1.275 . . . . 10.0 112.305 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -37.78 82.17 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.261 -0.899 . . . . 10.0 111.691 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' B' ' 607' ' ' LEU . 5.0 mm -59.49 -46.84 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.661 1.185 . . . . 10.0 112.044 170.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.26 -51.11 69.34 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.891 1.276 . . . . 10.0 111.154 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -54.58 -59.0 5.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.585 0.754 . . . . 10.0 111.815 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.66 -45.91 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.239 0.615 . . . . 10.0 111.142 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -68.58 -57.58 5.53 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -13.95 58.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.06 1.504 . . . . 10.0 115.06 -169.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -72.22 -55.65 6.86 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.06 0.846 . . . . 10.0 109.74 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.99 -34.55 78.25 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.695 -0.628 . . . . 10.0 112.521 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.99 -19.5 44.06 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.397 1.258 . . . . 10.0 114.397 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -116.0 -28.48 6.62 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.655 -1.278 . . . . 10.0 113.958 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.64 -24.73 58.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.266 -0.896 . . . . 10.0 113.319 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 114.944 1.461 . . . . 10.0 114.944 -171.574 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 63.9 tp -125.45 89.27 52.81 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.249 1.82 . . . . 10.0 109.585 -169.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.2 142.62 20.97 Favored 'Trans proline' 0 C--N 1.353 0.803 1 C-N-CA 125.953 4.436 . . . . 10.0 114.094 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 51.8 p -51.99 -40.96 61.77 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.559 1.689 . . . . 10.0 115.559 -170.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.49 -42.8 95.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.727 0.694 . . . . 10.0 112.659 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.6 mp -76.18 -38.79 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.593 0.757 . . . . 10.0 110.284 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 19.6 ttt -51.97 -56.35 14.77 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.509 1.124 . . . . 10.0 110.961 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -41.01 60.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.558 1.143 . . . . 10.0 113.543 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.06 -44.62 91.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.796 0.838 . . . . 10.0 112.628 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.48 -38.9 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.986 0.812 . . . . 10.0 111.45 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -39.01 90.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.127 -0.983 . . . . 10.0 112.598 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.46 -43.0 77.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.228 1.011 . . . . 10.0 112.586 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.2 -38.41 31.26 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.194 1.553 . . . . 10.0 115.194 -171.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 118.195 2.665 . . . . 10.0 118.195 -169.773 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 48.0 tptt . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.84 -49.44 76.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.55 1.14 . . . . 10.0 112.592 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.88 -42.46 99.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.775 1.23 . . . . 10.0 111.724 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.22 -43.84 90.19 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.91 0.884 . . . . 10.0 111.869 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 68.7 tp -72.15 -26.72 62.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.102 1.761 . . . . 10.0 113.853 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.85 -42.82 48.33 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.492 1.117 . . . . 10.0 112.929 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.98 -54.29 28.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.293 1.037 . . . . 10.0 111.798 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 52.9 mtt -61.23 -29.48 69.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.751 1.22 . . . . 10.0 113.7 -171.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.5 t -65.26 -19.98 66.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.241 1.416 . . . . 10.0 114.293 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.3 m -56.71 -41.6 77.7 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.185 0.994 . . . . 10.0 113.157 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 113.634 0.975 . . . . 10.0 113.634 178.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.363 0 N-CA-C 115.815 1.086 . . . . 10.0 115.815 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -139.86 -9.34 1.19 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -66.37 -17.39 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.152 -0.968 . . . . 10.0 113.285 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.45 -20.25 29.24 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -107.59 -4.59 18.18 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.4 t -74.39 149.09 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.701 1.2 . . . . 10.0 110.657 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 14.8 t -143.3 156.5 44.73 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.029 1.332 . . . . 10.0 111.017 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -58.84 -40.26 83.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.678 0.791 . . . . 10.0 112.484 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.43 -37.23 74.97 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.654 0.782 . . . . 10.0 113.1 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.31 -55.66 19.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.348 0.659 . . . . 10.0 110.395 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -53.71 -45.77 70.53 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.133 0.973 . . . . 10.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.7 m -57.21 -53.67 55.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.726 1.21 . . . . 10.0 112.846 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.9 -39.65 87.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.009 -0.432 . . . . 10.0 112.156 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.4 -45.1 94.67 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.69 0.677 . . . . 10.0 111.753 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 44.5 t -57.12 -49.51 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 118.808 0.731 . . . . 10.0 111.151 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -40.55 82.59 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.163 0.892 . . . . 10.0 112.662 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -75.33 -39.18 59.72 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.019 0.928 . . . . 10.0 112.513 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -45.57 89.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 10.0 110.689 169.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.93 -50.44 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.281 1.432 . . . . 10.0 112.963 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.31 -38.74 92.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.353 0.979 . . . . 10.0 112.903 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.19 94.66 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 122.149 -0.344 . . . . 10.0 111.926 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.79 -46.47 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.108 0.963 . . . . 10.0 111.839 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -147.17 112.02 4.08 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.518 0.727 . . . . 10.0 110.311 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -59.41 -6.06 3.76 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.314 3.343 . . . . 10.0 116.868 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.67 151.42 0.14 Allowed Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 127.89 2.476 . . . . 10.0 113.299 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -85.01 -37.39 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.245 2.63 . . . . 10.0 112.635 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -157.74 154.96 26.04 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.919 2.887 . . . . 10.0 108.841 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.72 -17.89 42.3 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.771 2.314 . . . . 10.0 113.568 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.16 -27.96 69.07 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.37 95.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.81 0.844 . . . . 10.0 111.712 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.1 -20.37 17.03 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.557 1.943 . . . . 10.0 114.438 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -118.46 19.63 13.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 10.0 113.535 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -132.37 163.78 27.94 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.003 1.321 . . . . 10.0 112.782 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 623' ' ' ARG . . . . . 0.428 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 8.4 mpt_? -53.02 -36.01 60.06 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.279 1.832 . . . . 10.0 112.927 -171.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -53.13 -42.56 66.18 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.591 1.556 . . . . 10.0 113.302 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.8 tpt -94.17 -26.85 16.5 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.283 0.633 . . . . 10.0 112.262 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -53.45 -36.24 61.38 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.346 0.976 . . . . 10.0 112.421 169.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.76 -44.37 96.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.413 -0.805 . . . . 10.0 112.641 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.24 -48.55 75.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.17 1.388 . . . . 10.0 110.888 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.35 -43.7 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 126.288 1.835 . . . . 10.0 112.161 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.54 85.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.492 1.117 . . . . 10.0 112.084 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.72 -46.57 81.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.216 1.006 . . . . 10.0 111.895 170.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.7 76.49 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.433 -0.794 . . . . 10.0 111.408 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.77 -46.36 90.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.603 1.092 . . . . 10.0 113.331 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.61 -47.68 81.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.204 1.402 . . . . 10.0 111.675 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.6 t -79.79 -35.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.772 -0.632 . . . . 10.0 111.79 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.29 -40.71 71.39 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.416 1.462 . . . . 10.0 111.414 172.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.26 -34.23 88.94 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.161 0.886 . . . . 10.0 114.212 171.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.28 -39.33 74.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.83 1.315 . . . . 10.0 111.692 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.3 mmt -66.59 -43.42 84.95 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.542 1.137 . . . . 10.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -59.58 -50.11 75.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.498 1.519 . . . . 10.0 112.866 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.02 -24.76 66.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.245 -0.909 . . . . 10.0 113.126 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.2 m -82.28 -34.34 28.75 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.967 1.099 . . . . 10.0 113.967 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.91 122.37 19.84 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.203 1.186 . . . . 10.0 114.203 -170.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -17.79 64.29 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.646 0.98 . . . . 10.0 113.646 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 86.1 p -149.04 163.39 37.66 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.256 1.422 . . . . 10.0 113.008 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -53.39 -46.71 69.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.89 1.676 . . . . 10.0 112.717 173.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.8 -32.02 67.18 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.11 -39.59 78.84 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.365 0.984 . . . . 10.0 111.719 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.84 -54.68 44.14 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.752 0.821 . . . . 10.0 111.478 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.61 -44.68 77.25 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 114.008 1.114 . . . . 10.0 114.008 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.63 -43.05 89.59 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.149 0.886 . . . . 10.0 111.824 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.75 -45.09 91.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.321 1.049 . . . . 10.0 112.648 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.883 0.765 . . . . 10.0 112.254 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.54 74.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.816 0.846 . . . . 10.0 112.16 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.27 -40.96 97.05 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.423 -0.798 . . . . 10.0 111.351 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -45.97 91.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.196 0.907 . . . . 10.0 112.0 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.82 -56.95 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.413 1.006 . . . . 10.0 110.088 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -56.34 -45.19 80.52 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.017 0.927 . . . . 10.0 112.04 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.14 -45.26 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.872 1.214 . . . . 10.0 109.905 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -62.12 -50.36 72.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.337 0.655 . . . . 10.0 111.85 -171.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -71.68 -30.49 65.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.164 1.386 . . . . 10.0 113.715 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -71.21 -54.4 11.1 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.403 0.547 . . . . 10.0 111.575 170.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.09 -33.31 75.73 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.081 -1.012 . . . . 10.0 113.077 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -63.51 -3.74 2.34 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.535 1.68 . . . . 10.0 115.535 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.64 -32.9 2.82 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.652 1.114 . . . . 10.0 113.403 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.17 -26.63 64.0 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 125.478 1.511 . . . . 10.0 114.321 -170.744 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 112.35 0.5 . . . . 10.0 112.35 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 52.4 tp -124.01 85.03 54.62 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.686 1.994 . . . . 10.0 108.097 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.75 141.09 16.51 Favored 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 125.673 4.249 . . . . 10.0 113.663 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.4 p -54.21 -35.84 62.82 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 -170.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.59 -43.56 76.2 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.122 0.874 . . . . 10.0 112.934 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.76 -38.28 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.216 0.607 . . . . 10.0 110.097 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 18.4 ttt -53.64 -55.65 24.06 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.793 0.837 . . . . 10.0 110.47 174.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.24 -37.65 72.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.125 0.97 . . . . 10.0 113.3 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.68 -50.99 71.29 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.488 0.585 . . . . 10.0 112.038 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 15.7 t -63.18 -41.24 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.98 0.809 . . . . 10.0 111.219 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.55 -26.51 67.16 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.421 0.897 . . . . 10.0 113.421 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -78.4 -37.13 44.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.656 1.182 . . . . 10.0 113.375 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -80.17 -39.2 29.77 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.145 1.165 . . . . 10.0 114.145 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 117.677 2.473 . . . . 10.0 117.677 -169.78 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.5 tptt . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 119.088 -0.482 . . . . 10.0 111.979 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -57.73 -47.45 82.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.236 1.015 . . . . 10.0 112.728 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.34 -44.81 96.56 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 10.0 111.93 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -66.42 -46.1 77.67 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.592 0.757 . . . . 10.0 111.689 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.45 -21.08 59.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.379 1.471 . . . . 10.0 113.447 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.98 -32.3 53.55 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.302 0.955 . . . . 10.0 113.406 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.54 -52.35 16.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.65 0.78 . . . . 10.0 110.75 169.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 303' ' ' MET . . . . . 0.434 ' HA ' ' CE1' ' B' ' 650' ' ' TYR . 61.0 mtt -61.08 -24.19 66.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.21 1.804 . . . . 10.0 114.58 -171.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 92.6 p -59.97 -27.57 66.94 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 12.7 m -56.68 -42.2 78.62 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.148 0.979 . . . . 10.0 113.516 -171.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.154 0 N-CA-C 114.543 0.577 . . . . 10.0 114.543 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -66.4 -16.08 63.8 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -57.67 -27.81 63.2 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.892 1.277 . . . . 10.0 113.579 -171.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -20.86 64.41 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -80.65 3.21 22.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.196 0.999 . . . . 10.0 113.508 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.25 144.49 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.921 1.688 . . . . 10.0 110.197 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 61.2 p -131.4 164.42 25.74 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.075 1.75 . . . . 10.0 110.697 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -36.41 79.08 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.484 -0.76 . . . . 10.0 112.243 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.52 -43.9 95.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.707 0.803 . . . . 10.0 111.773 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.31 -48.78 76.62 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.719 0.407 . . . . 10.0 110.907 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.09 -47.69 71.49 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.707 1.203 . . . . 10.0 112.696 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.9 m -56.55 -51.79 67.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.395 1.078 . . . . 10.0 111.698 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -72.1 -40.59 68.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.15 -49.51 75.55 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.487 1.039 . . . . 10.0 111.859 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.65 -45.1 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.277 0.944 . . . . 10.0 110.638 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.1 -50.72 72.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.699 0.681 . . . . 10.0 112.603 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.808 0.843 . . . . 10.0 112.989 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.612 ' HG ' HD11 ' B' ' 657' ' ' ILE . 1.8 tt -59.98 -50.69 72.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.553 1.141 . . . . 10.0 110.324 170.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.55 -43.13 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.158 0.983 . . . . 10.0 113.013 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -62.83 -40.0 96.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.251 0.932 . . . . 10.0 112.981 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.42 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -65.45 -42.2 92.59 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.737 -0.602 . . . . 10.0 111.716 173.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 77.3 mt -61.47 -44.96 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.606 1.162 . . . . 10.0 111.415 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -144.72 112.02 4.93 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.455 0.702 . . . . 10.0 110.383 169.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -57.02 -10.12 5.35 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.602 3.535 . . . . 10.0 117.506 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.6 148.79 0.12 Allowed Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 127.764 2.425 . . . . 10.0 113.67 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -85.57 -35.97 0.14 Allowed 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.636 2.891 . . . . 10.0 112.969 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -158.89 155.65 25.09 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 128.858 2.863 . . . . 10.0 108.773 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.39 -17.5 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.799 2.333 . . . . 10.0 113.648 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.21 71.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.709 0.804 . . . . 10.0 113.039 169.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.28 -35.22 80.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.312 -0.868 . . . . 10.0 112.201 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.36 -8.17 8.21 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.156 1.383 . . . . 10.0 113.81 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -119.1 15.04 13.21 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.019 2.128 . . . . 10.0 112.185 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -116.31 142.31 47.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.786 1.635 . . . . 10.0 111.561 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -20.84 59.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -177.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -67.23 -41.08 86.3 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.497 1.044 . . . . 10.0 111.827 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.6 tpt -74.62 -31.07 61.87 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.817 0.847 . . . . 10.0 112.006 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.04 -31.54 63.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.153 -0.967 . . . . 10.0 113.581 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.02 -44.25 94.72 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.369 -0.832 . . . . 10.0 111.914 171.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.24 -42.99 78.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.066 0.946 . . . . 10.0 111.446 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.25 -43.33 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.393 1.077 . . . . 10.0 111.865 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.27 68.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.702 1.201 . . . . 10.0 112.963 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.478 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.34 -42.34 95.48 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.073 0.851 . . . . 10.0 111.322 172.597 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.13 86.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.398 -0.81 . . . . 10.0 111.388 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.49 -43.34 89.0 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.618 1.099 . . . . 10.0 112.754 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.35 -49.4 77.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.556 1.142 . . . . 10.0 111.953 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.78 -38.46 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 122.959 0.504 . . . . 10.0 111.874 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.18 -42.05 72.7 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.701 1.137 . . . . 10.0 111.477 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.28 -31.54 80.85 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.378 0.989 . . . . 10.0 114.12 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.5 -37.13 60.36 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.822 1.311 . . . . 10.0 111.757 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 26.3 mmt -65.33 -41.54 93.87 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.269 1.027 . . . . 10.0 110.958 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.61 -44.69 95.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.471 1.509 . . . . 10.0 112.933 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.0 -29.78 70.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.259 -0.901 . . . . 10.0 112.574 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.7 t -76.66 -40.1 50.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.993 0.917 . . . . 10.0 113.183 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -67.83 136.95 54.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -79.25 -14.72 58.86 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.054 1.741 . . . . 10.0 113.338 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 59.7 p -152.98 164.19 38.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.613 1.565 . . . . 10.0 111.774 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -58.81 -41.7 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.459 0.703 . . . . 10.0 112.248 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -71.44 -32.47 68.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.899 0.48 . . . . 10.0 111.992 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.28 -39.51 82.09 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.453 -0.779 . . . . 10.0 111.824 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.48 -52.09 66.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.772 0.829 . . . . 10.0 111.336 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 650' ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' ' 303' ' ' MET . 0.9 OUTLIER -51.97 -48.75 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 170.345 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -62.08 -40.05 94.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.15 0.58 . . . . 10.0 112.27 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.07 -41.91 90.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.488 1.115 . . . . 10.0 112.686 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.56 -48.17 81.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.768 0.713 . . . . 10.0 111.424 171.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.05 -30.06 66.13 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.26 -43.65 94.17 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.178 -0.952 . . . . 10.0 111.498 170.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -58.23 -38.97 77.88 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 10.0 112.23 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.612 HD11 ' HG ' ' B' ' 607' ' ' LEU . 18.8 mm -66.71 -45.31 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.797 -0.565 . . . . 10.0 112.447 174.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.0 -48.79 80.24 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.125 0.875 . . . . 10.0 111.721 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -54.38 11.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.299 2.239 . . . . 10.0 112.045 173.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.58 -51.55 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.339 0.655 . . . . 10.0 111.085 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.51 -47.79 80.25 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.922 -0.486 . . . . 10.0 112.309 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 662' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.2 mmpt? -71.14 -32.3 68.79 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.49 0.716 . . . . 10.0 112.88 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.36 -48.64 64.25 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.493 0.317 . . . . 10.0 111.611 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.11 -32.88 74.8 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.934 -1.104 . . . . 10.0 112.875 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -62.61 -6.81 3.82 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -108.23 -49.71 3.15 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.817 1.647 . . . . 10.0 110.984 169.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -67.36 -14.17 62.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.608 1.336 . . . . 10.0 114.608 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? . . . . . 0 N--CA 1.484 1.262 0 C-N-CA 126.685 1.994 . . . . 10.0 112.94 175.31 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 47.1 mt . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 113.424 0.898 . . . . 10.0 113.424 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.4 tp -128.22 77.85 76.31 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.173 1.789 . . . . 10.0 109.294 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.478 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 41.8 Cg_exo -41.62 134.94 3.4 Favored 'Trans proline' 0 C--N 1.352 0.722 1 C-N-CA 126.202 4.601 . . . . 10.0 114.013 177.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.5 m -55.04 -37.07 66.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.319 1.599 . . . . 10.0 115.319 -169.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.56 -37.66 82.99 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.704 0.684 . . . . 10.0 112.768 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.95 -43.05 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.883 0.873 . . . . 10.0 110.654 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 61.7 ttp -54.46 -51.8 63.86 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.447 0.699 . . . . 10.0 110.509 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -55.07 -38.71 68.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.394 1.478 . . . . 10.0 113.668 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -64.75 -52.54 56.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.098 0.959 . . . . 10.0 111.721 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.46 -39.99 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.436 -0.79 . . . . 10.0 111.621 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.93 -34.52 78.31 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.331 -0.856 . . . . 10.0 112.908 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -80.04 -31.91 39.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.9 1.074 . . . . 10.0 113.9 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -73.82 -41.06 62.86 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 116.797 2.147 . . . . 10.0 116.797 -171.44 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 111.741 0.274 . . . . 10.0 111.741 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -52.42 -48.2 65.89 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.88 1.672 . . . . 10.0 112.329 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.9 tp -77.47 -37.98 50.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.515 0.726 . . . . 10.0 112.715 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.71 -40.96 92.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.457 -0.777 . . . . 10.0 112.04 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.92 -34.49 74.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.528 1.531 . . . . 10.0 113.175 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.2 mt -58.62 -36.14 73.58 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.598 0.759 . . . . 10.0 112.799 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.59 -53.44 7.19 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.644 0.656 . . . . 10.0 110.219 168.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 38.0 ttm -55.13 -29.46 57.76 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.558 1.143 . . . . 10.0 114.063 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -58.31 -25.09 61.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.467 1.284 . . . . 10.0 114.467 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.4 m -59.59 -39.15 83.2 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.585 1.084 . . . . 10.0 113.605 -172.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 113.38 0.882 . . . . 10.0 113.38 177.463 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.28 0 N-CA-C 115.372 0.909 . . . . 10.0 115.372 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.2 p-90 -61.43 -19.78 62.35 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -60.63 -24.84 65.84 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.856 1.262 . . . . 10.0 112.68 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.74 -5.32 39.96 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.956 1.302 . . . . 10.0 113.572 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -114.68 20.15 15.48 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.928 2.091 . . . . 10.0 112.214 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.46 134.51 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.508 1.923 . . . . 10.0 109.357 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 80.5 p -100.29 159.11 15.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.448 1.099 . . . . 10.0 111.4 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.53 -35.84 76.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.403 -0.81 . . . . 10.0 111.532 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.49 -37.62 88.0 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.652 -0.655 . . . . 10.0 112.414 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 40.1 tp -63.46 -46.89 84.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.91 -0.567 . . . . 10.0 111.336 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -55.81 -50.63 69.98 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.044 0.838 . . . . 10.0 111.789 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.5 m -56.82 -53.56 56.41 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.018 0.927 . . . . 10.0 112.728 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.86 -38.62 86.69 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.958 -0.544 . . . . 10.0 111.896 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.23 -44.39 95.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.441 -1.266 . . . . 10.0 112.07 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.9 -49.03 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 120.576 1.535 . . . . 10.0 110.747 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -41.78 69.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.602 0.761 . . . . 10.0 112.829 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -82.62 -30.91 29.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.829 0.851 . . . . 10.0 113.018 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.544 ' HG ' HD11 ' B' ' 657' ' ' ILE . 3.6 tp -58.72 -47.92 82.94 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.386 1.074 . . . . 10.0 108.42 169.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 54.7 t -54.8 -45.65 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 10.0 112.264 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -62.37 -39.62 93.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.974 1.261 . . . . 10.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -73.0 -29.23 62.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 53.4 mt -68.28 -55.06 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.598 -0.689 . . . . 10.0 109.834 170.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 612' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 8.6 t80 -150.14 118.49 3.64 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.482 1.113 . . . . 10.0 110.823 172.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -61.04 -8.42 9.87 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.892 3.062 . . . . 10.0 117.127 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.0 148.72 0.12 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 127.522 2.329 . . . . 10.0 113.472 -172.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -87.47 -37.23 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.466 2.777 . . . . 10.0 112.928 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -160.17 158.07 25.67 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 128.821 2.848 . . . . 10.0 108.976 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.61 -22.87 37.37 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.603 2.202 . . . . 10.0 113.137 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -63.2 -21.66 66.36 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 171.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.28 -50.4 22.41 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.407 -0.808 . . . . 10.0 111.775 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.83 -16.02 64.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.67 -6.01 52.4 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.378 1.871 . . . . 10.0 113.509 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -123.17 153.33 40.18 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.848 1.259 . . . . 10.0 113.538 -171.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -55.55 -31.82 62.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.254 1.422 . . . . 10.0 113.33 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -51.58 -47.25 63.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.587 1.155 . . . . 10.0 112.671 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.6 tpt -81.78 -30.6 32.23 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.675 0.79 . . . . 10.0 112.245 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -55.37 -32.16 62.35 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 113.566 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -56.89 -47.28 80.85 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.864 0.866 . . . . 10.0 112.023 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.94 -40.34 75.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.343 1.457 . . . . 10.0 111.767 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.74 -44.41 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.06 1.344 . . . . 10.0 111.924 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.381 1.072 . . . . 10.0 112.155 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 -45.9 84.57 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.475 1.11 . . . . 10.0 111.548 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.24 99.49 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.742 0.817 . . . . 10.0 112.4 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -44.02 96.54 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.899 0.772 . . . . 10.0 112.312 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.92 -44.3 93.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.914 0.886 . . . . 10.0 112.173 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.4 -51.14 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.758 0.823 . . . . 10.0 110.692 172.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.04 -46.56 71.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.95 0.795 . . . . 10.0 112.213 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.05 90.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.907 0.765 . . . . 10.0 114.108 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.33 -34.91 65.91 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.79 1.295 . . . . 10.0 111.818 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 31.8 mmt -71.71 -39.18 70.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.097 0.959 . . . . 10.0 110.989 174.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -62.41 -48.18 80.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.241 1.417 . . . . 10.0 112.673 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.0 -27.7 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.816 -1.178 . . . . 10.0 113.117 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -79.84 -32.51 40.57 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.045 1.128 . . . . 10.0 114.045 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.33 24.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.781 1.401 . . . . 10.0 114.781 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -116.28 -5.73 11.82 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.741 2.016 . . . . 10.0 112.448 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.3 p -152.54 163.49 39.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.996 1.718 . . . . 10.0 111.579 169.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.22 -41.69 96.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.575 0.75 . . . . 10.0 112.988 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.05 -33.5 75.64 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.25 -39.48 71.61 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.259 -0.901 . . . . 10.0 111.641 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.71 -52.7 64.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.649 1.18 . . . . 10.0 111.738 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -49.86 -47.99 51.43 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -61.39 -41.71 97.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.947 0.794 . . . . 10.0 112.314 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.73 -44.83 88.92 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.956 0.903 . . . . 10.0 112.685 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 61.8 mt -55.8 -54.3 46.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.295 0.952 . . . . 10.0 110.832 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.45 -29.46 69.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.884 0.874 . . . . 10.0 112.511 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.79 -46.91 83.06 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.055 1.298 . . . . 10.0 111.757 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -66.0 -41.1 91.49 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.748 -0.595 . . . . 10.0 110.782 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.544 HD11 ' HG ' ' B' ' 607' ' ' LEU . 15.4 mm -57.86 -40.81 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 123.671 0.788 . . . . 10.0 111.591 169.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.36 -47.31 76.86 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 119.459 1.027 . . . . 10.0 111.397 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -52.0 -59.4 4.4 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.36 0.982 . . . . 10.0 110.485 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 67.0 mt -55.52 -55.38 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.424 0.689 . . . . 10.0 111.416 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -65.62 -51.23 61.16 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.351 -0.843 . . . . 10.0 112.622 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 662' ' ' LYS . . . . . 0.408 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 0.3 OUTLIER -68.79 -39.0 80.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.449 1.1 . . . . 10.0 112.289 -171.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.61 -52.87 59.03 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.549 1.14 . . . . 10.0 111.42 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.7 mp -55.31 -42.14 73.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.451 0.7 . . . . 10.0 112.694 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.66 -15.88 9.02 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.85 1.426 . . . . 10.0 114.85 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -119.45 -34.94 3.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.859 1.059 . . . . 10.0 113.859 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -73.36 -8.04 54.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-N 119.854 1.206 . . . . 10.0 113.425 169.207 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 27.2 mm . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 118.129 -0.939 . . . . 10.0 113.062 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.5 tp -129.84 83.84 62.76 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.446 1.498 . . . . 10.0 110.139 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.63 143.56 16.07 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 125.247 3.965 . . . . 10.0 113.364 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 45.0 p -58.03 -32.29 67.82 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.61 -45.38 68.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.484 0.713 . . . . 10.0 112.643 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.42 -37.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.081 0.552 . . . . 10.0 109.623 173.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 21.4 ttt -57.38 -55.51 33.81 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.329 -0.857 . . . . 10.0 111.374 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.47 -31.82 70.81 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.4 -57.52 9.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.298 0.639 . . . . 10.0 110.634 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.16 -34.63 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.113 -0.992 . . . . 10.0 113.375 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.37 -40.49 97.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.578 1.536 . . . . 10.0 111.361 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -79.96 -36.66 35.81 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.01 1.724 . . . . 10.0 114.96 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 856' ' ' ASN . . . . . 0.422 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 98.6 m-20 -65.24 -50.87 64.17 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -169.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 114.746 1.388 . . . . 10.0 114.746 -169.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 119.011 -0.519 . . . . 10.0 111.842 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.98 -46.81 78.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.851 1.26 . . . . 10.0 112.809 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.02 -43.53 98.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 10.0 111.929 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.16 -45.0 74.71 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.319 0.58 . . . . 10.0 111.558 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.22 -23.39 62.0 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.584 1.953 . . . . 10.0 113.1 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.23 -41.58 75.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.509 1.124 . . . . 10.0 112.524 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.32 -50.76 62.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.147 0.43 . . . . 10.0 111.118 169.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 65.3 mtt -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.834 0.854 . . . . 10.0 113.253 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 50.6 m -63.8 -20.17 65.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.172 1.789 . . . . 10.0 114.475 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 63.0 m -58.25 -25.14 61.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.547 1.539 . . . . 10.0 114.834 -171.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 177.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.244 0 N-CA-C 115.487 0.955 . . . . 10.0 115.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -66.31 -9.96 38.04 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.54 -25.51 64.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.079 1.352 . . . . 10.0 113.32 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.54 -20.84 49.74 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -86.41 2.96 45.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.687 1.195 . . . . 10.0 113.548 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.85 158.19 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.932 1.693 . . . . 10.0 111.121 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 5.4 t -139.31 158.99 43.2 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.339 1.856 . . . . 10.0 110.36 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -56.61 -31.25 64.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.952 0.901 . . . . 10.0 112.522 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.13 -40.35 95.63 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.857 0.863 . . . . 10.0 112.651 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.7 -51.09 62.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.346 1.059 . . . . 10.0 110.962 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -60.76 -40.26 91.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.806 0.842 . . . . 10.0 112.881 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.6 m -55.74 -49.46 73.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.062 0.945 . . . . 10.0 112.044 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.15 -36.2 71.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.614 0.766 . . . . 10.0 112.308 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.17 -44.88 95.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.439 -0.791 . . . . 10.0 112.307 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.11 -49.61 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.402 1.001 . . . . 10.0 110.388 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -45.72 73.18 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.271 0.628 . . . . 10.0 112.477 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.0 -40.83 52.86 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.386 1.474 . . . . 10.0 113.181 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.79 -47.72 76.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.674 1.59 . . . . 10.0 109.023 169.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.24 -38.78 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 117.938 -1.029 . . . . 10.0 113.65 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -60.31 -39.54 87.36 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.721 1.6 . . . . 10.0 112.898 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.92 72.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.687 -0.633 . . . . 10.0 112.707 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.6 mt -65.71 -43.66 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.322 1.049 . . . . 10.0 111.201 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -146.67 109.35 4.12 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.73 0.812 . . . . 10.0 111.003 170.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -60.39 -8.37 8.56 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.391 3.394 . . . . 10.0 117.307 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 43.1 p 66.2 152.6 0.12 Allowed Pre-proline 0 N--CA 1.486 1.331 0 C-N-CA 128.935 2.894 . . . . 10.0 115.567 -174.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.85 -28.21 3.44 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.833 2.355 . . . . 10.0 112.097 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -159.88 159.52 27.34 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 126.772 2.029 . . . . 10.0 110.872 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.31 -7.39 19.64 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.656 2.238 . . . . 10.0 115.02 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -90.16 -26.31 20.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.89 1.223 . . . . 10.0 112.211 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.82 64.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.612 1.096 . . . . 10.0 112.734 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 51.5 mt -54.91 -32.69 61.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.11 1.364 . . . . 10.0 113.98 171.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -87.12 -12.17 47.89 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.943 1.297 . . . . 10.0 113.833 -170.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -102.94 159.91 15.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.638 0.977 . . . . 10.0 113.638 -173.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.61 54.14 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.218 1.807 . . . . 10.0 113.245 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -52.47 -30.9 32.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.945 1.298 . . . . 10.0 113.856 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.4 tpt -96.2 -35.69 11.2 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.616 1.166 . . . . 10.0 112.16 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -56.54 -29.29 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.255 -0.903 . . . . 10.0 113.087 173.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -57.78 -43.34 85.48 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.226 -0.921 . . . . 10.0 113.108 171.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.52 -45.94 61.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.686 1.194 . . . . 10.0 111.017 174.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.77 -41.18 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.104 0.962 . . . . 10.0 112.265 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.47 96.01 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.788 1.235 . . . . 10.0 112.772 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.466 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.68 -41.84 91.98 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.574 -0.704 . . . . 10.0 111.094 172.145 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.88 86.88 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.132 -0.98 . . . . 10.0 113.147 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -61.9 -45.87 91.84 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.37 0.987 . . . . 10.0 111.933 171.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.84 -44.79 93.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.353 1.061 . . . . 10.0 112.11 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.24 -47.69 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.697 0.799 . . . . 10.0 111.337 174.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -52.22 -52.11 54.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.648 1.113 . . . . 10.0 111.629 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.89 -12.39 42.26 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.488 1.042 . . . . 10.0 115.428 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.98 -36.83 7.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 10.0 111.944 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.6 mmt -64.1 -39.2 93.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.851 . . . . 10.0 110.939 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.4 -24.07 66.25 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.401 1.88 . . . . 10.0 113.588 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -104.16 10.04 35.99 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.432 1.493 . . . . 10.0 113.137 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.1 m -118.4 11.68 13.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.083 1.353 . . . . 10.0 113.441 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.47 143.32 50.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.892 1.277 . . . . 10.0 113.147 -171.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -10.07 57.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.748 1.219 . . . . 10.0 113.62 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 76.8 p -151.91 163.55 39.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.119 1.368 . . . . 10.0 112.249 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -59.6 -39.78 85.3 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.134 0.974 . . . . 10.0 112.259 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.73 -42.11 99.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.467 1.107 . . . . 10.0 112.631 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.07 -37.15 78.34 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.322 -0.861 . . . . 10.0 112.251 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.26 -50.43 73.63 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.25 -0.907 . . . . 10.0 111.895 171.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -53.13 -47.79 68.41 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.38 -41.21 88.81 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.758 0.708 . . . . 10.0 112.223 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.25 -40.2 90.02 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.002 -0.999 . . . . 10.0 112.94 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.2 -48.99 79.55 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.569 1.077 . . . . 10.0 110.518 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.33 -29.25 69.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.165 1.386 . . . . 10.0 113.005 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.4 -42.4 87.9 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.482 1.113 . . . . 10.0 112.586 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -38.8 87.04 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.295 0.952 . . . . 10.0 111.168 174.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.9 mm -54.92 -52.39 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.249 1.02 . . . . 10.0 111.257 170.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -59.8 -45.89 90.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.718 0.807 . . . . 10.0 112.408 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -52.62 -57.28 10.53 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.909 0.777 . . . . 10.0 110.677 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 78.5 mt -56.79 -47.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.33 0.652 . . . . 10.0 111.063 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -60.98 -50.96 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 662' ' ' LYS . . . . . 0.488 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.7 mmpt? -71.98 -31.05 65.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.493 1.117 . . . . 10.0 113.305 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.15 -33.89 63.67 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.638 0.775 . . . . 10.0 112.931 175.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.7 mp -89.61 -44.62 9.94 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.27 -44.69 75.87 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.107 1.322 . . . . 10.0 113.519 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.57 -42.09 92.16 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.53 -0.731 . . . . 10.0 112.571 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -78.08 -7.88 57.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.803 1.241 . . . . 10.0 113.642 -177.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? . . . . . 0 N--CA 1.481 1.102 0 C-N-CA 126.704 2.002 . . . . 10.0 113.335 176.663 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 28.5 mm . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 28.4 tp -150.88 72.93 8.75 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.035 1.734 . . . . 10.0 108.197 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.466 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 32.2 Cg_exo -40.7 124.8 1.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 1 C-N-CA 125.746 4.297 . . . . 10.0 113.928 175.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.2 m -57.92 -37.31 73.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.76 -36.11 79.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.689 0.796 . . . . 10.0 112.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.21 -43.69 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.767 0.827 . . . . 10.0 109.61 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 65.0 ttp -53.35 -49.91 66.13 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.63 1.172 . . . . 10.0 111.395 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.84 -39.63 65.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.444 0.698 . . . . 10.0 112.691 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.57 -44.19 78.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.75 0.82 . . . . 10.0 112.193 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.0 t -58.59 -46.85 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.726 1.148 . . . . 10.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.28 -39.65 94.35 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.858 0.754 . . . . 10.0 112.356 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.42 -34.2 63.17 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.362 0.875 . . . . 10.0 113.362 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -79.83 -48.71 13.09 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 117.978 2.584 . . . . 10.0 117.978 -169.711 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.58 -50.51 67.83 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.561 1.144 . . . . 10.0 112.09 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.1 tp -61.11 -43.33 99.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.466 1.106 . . . . 10.0 112.087 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.17 -46.31 87.76 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.128 0.571 . . . . 10.0 111.198 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 43.0 tp -72.74 -28.6 62.73 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.833 1.653 . . . . 10.0 113.914 -176.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.54 -44.88 69.56 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.432 1.093 . . . . 10.0 112.54 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.16 -52.07 60.79 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.517 0.599 . . . . 10.0 111.899 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.3 mtm -58.57 -24.28 60.48 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.949 1.092 . . . . 10.0 113.949 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 35.3 m -76.38 -19.93 57.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.026 1.33 . . . . 10.0 114.558 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.9 m -53.82 -37.97 64.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.334 1.605 . . . . 10.0 115.334 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 CA--C 1.547 0.836 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 178.666 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.279 0 N-CA-C 114.781 0.673 . . . . 10.0 114.781 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -62.2 -14.0 33.35 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.583 1.697 . . . . 10.0 115.583 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -57.59 -27.7 62.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.34 . . . . 10.0 113.641 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.45 -18.09 36.58 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -77.19 -1.2 28.23 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.694 1.198 . . . . 10.0 114.009 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.42 153.89 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.061 1.744 . . . . 10.0 110.6 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 76.9 p -127.45 158.74 36.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.951 1.701 . . . . 10.0 111.177 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -58.29 -31.89 67.9 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.571 -0.706 . . . . 10.0 112.555 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -63.33 -44.48 94.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.826 0.85 . . . . 10.0 112.051 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.33 -45.33 84.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.875 -0.583 . . . . 10.0 111.408 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -54.8 -47.6 73.8 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.215 0.916 . . . . 10.0 111.962 174.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 63.8 m -59.17 -49.43 77.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.577 1.151 . . . . 10.0 112.271 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -66.07 -44.03 85.67 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.443 0.697 . . . . 10.0 111.502 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.86 -38.51 91.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 117.787 -1.101 . . . . 10.0 112.982 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 21.6 t -54.71 -50.96 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.153 1.342 . . . . 10.0 111.133 170.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -64.88 -41.83 95.3 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.927 -0.483 . . . . 10.0 112.219 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.33 -33.94 77.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 10.0 112.87 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.482 ' HA ' HD11 ' B' ' 657' ' ' ILE . 2.4 tp -57.26 -54.74 43.36 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.483 1.113 . . . . 10.0 109.25 169.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.41 -45.18 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.957 1.303 . . . . 10.0 112.887 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -64.27 -33.87 76.81 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.63 70.41 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.749 0.704 . . . . 10.0 111.129 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 62.1 mt -58.91 -46.71 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.305 1.042 . . . . 10.0 110.863 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 612' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 0.6 OUTLIER -142.43 100.91 5.65 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.093 0.957 . . . . 10.0 110.446 171.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -62.84 95.64 0.16 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.177 3.252 . . . . 10.0 109.971 168.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.5 t -50.51 142.64 15.13 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.848 1.659 . . . . 10.0 113.785 -170.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.402 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 11.6 Cg_exo -62.07 -42.02 32.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.401 2.734 . . . . 10.0 111.37 174.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -155.19 162.44 27.25 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.059 2.144 . . . . 10.0 109.989 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.65 -21.71 51.6 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.404 2.07 . . . . 10.0 111.837 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.77 -16.0 62.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.357 1.463 . . . . 10.0 114.65 170.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -92.57 -22.92 19.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.033 0.933 . . . . 10.0 112.886 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.29 -28.76 68.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.501 1.12 . . . . 10.0 113.47 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.83 -4.86 56.18 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.712 1.375 . . . . 10.0 114.712 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.96 132.86 48.79 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.478 1.035 . . . . 10.0 110.509 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.98 -35.89 26.1 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -69.6 -36.95 76.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.558 1.143 . . . . 10.0 112.22 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.5 tpt -70.28 -37.34 74.84 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.947 0.499 . . . . 10.0 111.32 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.27 -34.95 77.55 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.175 -0.953 . . . . 10.0 113.168 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.47 -39.25 85.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.272 -0.892 . . . . 10.0 111.894 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 17.9 tp -61.45 -49.02 78.52 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.29 0.95 . . . . 10.0 111.16 170.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.5 t -51.53 -43.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.096 1.358 . . . . 10.0 112.442 173.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.17 73.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.46 1.104 . . . . 10.0 113.051 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -62.95 -42.74 99.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.556 -0.715 . . . . 10.0 111.27 174.4 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.63 82.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.974 0.91 . . . . 10.0 111.721 172.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.05 -48.16 80.95 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 119.856 1.207 . . . . 10.0 112.852 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.92 -45.87 92.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.057 0.943 . . . . 10.0 112.128 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.97 -33.02 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.763 -0.636 . . . . 10.0 112.097 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -44.22 76.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.388 1.449 . . . . 10.0 111.42 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.81 -26.93 73.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 123.938 0.78 . . . . 10.0 114.429 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.77 -36.27 28.68 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.722 1.261 . . . . 10.0 111.86 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.24 -37.65 87.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.573 1.149 . . . . 10.0 111.04 172.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -62.52 -49.76 74.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.201 1.401 . . . . 10.0 112.611 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.45 -22.11 64.6 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.766 -1.208 . . . . 10.0 114.154 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.5 m -76.09 -24.42 55.02 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.02 156.22 19.84 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.109 1.151 . . . . 10.0 114.109 -170.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -117.47 -3.62 11.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.069 2.148 . . . . 10.0 112.041 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 62.3 p -152.46 162.76 40.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.91 1.684 . . . . 10.0 111.876 170.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -59.81 -40.95 90.11 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.484 0.714 . . . . 10.0 112.383 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.307 1.043 . . . . 10.0 112.149 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.94 -39.35 83.46 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.601 -0.687 . . . . 10.0 112.315 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.02 -54.22 49.37 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 10.0 111.832 173.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -51.86 -47.38 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.62 -38.62 91.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.826 0.739 . . . . 10.0 112.419 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.71 -43.41 89.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.528 1.131 . . . . 10.0 112.4 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 53.2 mt -59.13 -48.88 79.97 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.747 0.703 . . . . 10.0 111.436 170.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.13 75.09 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.917 0.887 . . . . 10.0 112.796 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.08 -44.54 84.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.178 0.991 . . . . 10.0 111.96 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -59.82 -44.01 94.25 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.129 0.877 . . . . 10.0 111.616 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' B' ' 607' ' ' LEU . 4.5 mm -60.67 -45.24 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.037 0.935 . . . . 10.0 111.451 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.75 -52.86 62.51 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.546 1.138 . . . . 10.0 111.753 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -50.4 9.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.185 2.194 . . . . 10.0 112.363 172.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.37 -54.94 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.898 0.879 . . . . 10.0 110.512 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.63 -52.73 55.91 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.82 -22.1 62.38 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.887 1.221 . . . . 10.0 113.545 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -76.73 -44.47 33.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.088 0.555 . . . . 10.0 111.79 171.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.6 mp -56.58 -41.73 77.47 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.705 0.802 . . . . 10.0 111.579 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.99 5.36 0.51 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.384 1.474 . . . . 10.0 114.766 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.99 -44.86 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.8 1.24 . . . . 10.0 112.238 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -61.48 -29.14 69.79 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.802 1.183 . . . . 10.0 114.18 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 . . . . . 0 N--CA 1.485 1.32 0 C-N-CA 124.868 1.267 . . . . 10.0 114.073 173.016 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 41.4 tp -151.4 80.04 6.49 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.093 1.757 . . . . 10.0 108.657 169.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.44 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 99.9 Cg_exo -43.21 134.59 6.15 Favored 'Trans proline' 0 C--N 1.353 0.768 1 C-N-CA 125.901 4.4 . . . . 10.0 113.601 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -59.35 -38.58 80.73 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -172.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.44 -39.68 85.4 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.503 -0.748 . . . . 10.0 112.289 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -69.39 -41.15 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 123.884 0.874 . . . . 10.0 110.696 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 47.7 ttm -53.2 -55.59 23.12 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.931 0.892 . . . . 10.0 110.322 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.96 -42.21 79.71 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.85 -47.67 85.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.994 0.918 . . . . 10.0 112.552 173.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.07 -41.79 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 10.0 111.881 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.5 -33.14 75.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.355 0.979 . . . . 10.0 112.206 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.78 -42.26 50.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.174 0.99 . . . . 10.0 112.83 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 856' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 35.1 m-80 -78.88 -52.41 8.34 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.081 1.141 . . . . 10.0 114.081 -174.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 117.862 2.542 . . . . 10.0 117.862 -169.161 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 111.679 0.252 . . . . 10.0 111.679 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.9 -48.26 78.61 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.467 1.507 . . . . 10.0 112.506 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.55 -36.59 63.11 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.532 0.733 . . . . 10.0 112.328 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.73 -41.55 92.09 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.434 -0.791 . . . . 10.0 112.375 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.42 -31.48 72.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.312 1.445 . . . . 10.0 113.142 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 45.7 mt -57.29 -38.41 73.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.738 0.815 . . . . 10.0 112.597 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 39.6 mt -75.39 -53.81 8.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.973 0.806 . . . . 10.0 111.03 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 49.7 ttm -53.65 -35.28 60.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.865 1.266 . . . . 10.0 113.913 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 65.3 m -57.27 -24.57 55.74 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 17.8 m -56.74 -39.37 73.84 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.023 0.829 . . . . 10.0 112.815 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.64 0 O-C-N 121.401 -0.812 . . . . 10.0 112.917 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.286 0 N-CA-C 115.72 1.048 . . . . 10.0 115.72 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -64.19 -20.5 66.06 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.872 1.434 . . . . 10.0 114.872 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -62.97 -28.11 69.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.088 0.955 . . . . 10.0 111.987 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -73.32 -1.03 16.37 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.745 1.618 . . . . 10.0 113.323 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -118.22 20.07 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.836 2.054 . . . . 10.0 112.021 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.78 130.89 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.418 1.887 . . . . 10.0 109.856 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -94.03 158.17 15.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.481 1.112 . . . . 10.0 111.651 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.05 -32.01 70.51 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.503 -0.748 . . . . 10.0 111.777 170.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -43.85 97.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.192 0.997 . . . . 10.0 112.246 174.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -47.93 83.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.165 0.586 . . . . 10.0 111.226 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -56.2 -50.62 70.71 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.633 0.773 . . . . 10.0 112.074 174.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.2 m -59.55 -49.68 76.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.608 1.163 . . . . 10.0 112.255 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.11 -41.88 85.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.72 -0.657 . . . . 10.0 111.329 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.52 -37.97 89.34 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.73 1.15 . . . . 10.0 112.734 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 37.9 t -56.64 -51.23 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.182 1.355 . . . . 10.0 110.666 169.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -36.75 73.15 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.09 -33.23 57.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.232 1.413 . . . . 10.0 112.123 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' B' ' 657' ' ' ILE . 1.7 tp -59.51 -48.45 81.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.791 1.236 . . . . 10.0 110.016 169.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.94 -41.38 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.734 1.214 . . . . 10.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -60.69 -21.99 63.44 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.139 1.163 . . . . 10.0 114.139 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -110.42 15.51 22.16 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.387 1.475 . . . . 10.0 112.479 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.58 -45.2 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.476 1.511 . . . . 10.0 109.431 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 612' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' B' ' 614' ' ' THR . 2.9 t80 -137.23 98.77 10.09 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 124.495 1.118 . . . . 10.0 108.432 169.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -1.67 0.86 Allowed 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 124.74 3.627 . . . . 10.0 116.639 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 614' ' ' THR . . . . . 0.433 ' HA ' ' CE1' ' B' ' 612' ' ' PHE 0.259 40.8 p 53.34 150.19 0.04 OUTLIER Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 131.578 3.951 . . . . 10.0 117.739 -173.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.73 -27.47 14.93 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.011 2.474 . . . . 10.0 112.047 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.14 150.12 10.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 128.095 2.558 . . . . 10.0 108.499 -171.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.24 -16.91 53.44 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.17 1.913 . . . . 10.0 113.786 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -70.44 -26.17 63.53 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.9 1.227 . . . . 10.0 113.009 169.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.14 66.63 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.84 -1.163 . . . . 10.0 113.198 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.64 -27.85 69.51 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.845 1.258 . . . . 10.0 112.562 169.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -91.61 -10.08 41.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.536 1.535 . . . . 10.0 113.443 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.85 142.69 57.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.915 0.886 . . . . 10.0 112.185 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -64.74 -21.3 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -27.97 52.13 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.117 0.967 . . . . 10.0 112.609 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -29.8 70.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.753 0.821 . . . . 10.0 112.053 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.53 -28.26 44.22 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.438 1.273 . . . . 10.0 114.438 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -66.79 -42.85 85.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.273 -0.892 . . . . 10.0 111.678 172.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.8 -40.77 79.43 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.307 1.043 . . . . 10.0 111.533 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.0 t -55.39 -49.06 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.348 1.459 . . . . 10.0 111.998 170.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.66 84.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.126 -0.984 . . . . 10.0 112.783 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -58.56 -46.2 87.39 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.243 1.017 . . . . 10.0 111.697 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.95 96.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.529 0.731 . . . . 10.0 111.961 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.47 -43.53 93.22 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.398 0.999 . . . . 10.0 112.672 172.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -60.44 -51.41 69.6 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.953 0.901 . . . . 10.0 111.133 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.57 -49.68 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.24 0.616 . . . . 10.0 111.119 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.79 -44.55 77.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.962 0.905 . . . . 10.0 112.11 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.24 93.24 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.958 0.789 . . . . 10.0 113.826 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.6 -33.09 68.72 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.92 1.36 . . . . 10.0 112.063 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.8 mmt -73.01 -40.15 65.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.413 1.085 . . . . 10.0 111.196 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -64.12 -48.37 76.35 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.293 1.437 . . . . 10.0 113.643 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.29 -13.82 42.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.875 1.435 . . . . 10.0 114.875 -174.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -126.73 -8.26 6.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.999 1.851 . . . . 10.0 115.999 -169.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 140.29 44.95 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.707 1.14 . . . . 10.0 112.604 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.09 -26.14 65.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.802 1.241 . . . . 10.0 113.743 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 92.4 p -150.24 166.34 30.21 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.596 1.558 . . . . 10.0 111.883 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -60.54 -40.65 92.32 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.813 0.845 . . . . 10.0 112.467 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.86 -44.1 94.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.148 0.979 . . . . 10.0 112.781 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.28 -36.88 80.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.379 -0.825 . . . . 10.0 112.131 175.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.13 -51.79 68.5 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 111.515 172.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -51.97 -48.05 64.54 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -62.51 -41.59 98.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.345 0.521 . . . . 10.0 112.145 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 48.8 mt -63.87 -45.38 89.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.403 1.081 . . . . 10.0 112.702 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 38.3 mt -54.57 -53.55 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.859 0.754 . . . . 10.0 110.321 171.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.89 74.25 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.959 0.904 . . . . 10.0 113.045 -175.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.13 -46.58 77.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.412 1.085 . . . . 10.0 111.606 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.588 -0.695 . . . . 10.0 111.448 171.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.543 HD11 ' HG ' ' B' ' 607' ' ' LEU . 6.2 mm -57.83 -39.01 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.66 0.784 . . . . 10.0 112.539 170.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -64.75 -48.5 74.33 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.285 0.948 . . . . 10.0 110.849 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -46.72 38.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.469 1.508 . . . . 10.0 112.921 171.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 46.4 mm -70.49 -58.7 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 119.672 1.124 . . . . 10.0 112.297 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -72.66 -41.69 65.14 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -39.44 93.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.258 0.935 . . . . 10.0 111.581 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.5 -48.14 82.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.138 0.575 . . . . 10.0 111.573 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.52 -39.34 70.41 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.049 0.84 . . . . 10.0 112.18 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.94 -10.62 14.25 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.213 1.56 . . . . 10.0 115.213 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -133.85 -22.68 1.84 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -98.55 -1.14 41.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.657 1.583 . . . . 10.0 113.345 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 C-N-CA 125.233 1.413 . . . . 10.0 114.666 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.702 0.287 . . . . 10.0 111.105 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 18.9 tp -137.77 77.88 37.75 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.395 1.478 . . . . 10.0 109.581 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.47 138.85 18.09 Favored 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.772 4.315 . . . . 10.0 113.784 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 36.8 m -58.38 -36.83 74.11 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.916 1.45 . . . . 10.0 114.916 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.97 -41.26 78.15 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.489 -0.757 . . . . 10.0 112.561 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.6 -42.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.237 1.015 . . . . 10.0 110.027 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 50.8 ttp -58.01 -54.27 48.88 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.996 0.918 . . . . 10.0 111.18 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.68 -39.8 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.1 0.864 . . . . 10.0 113.112 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -64.69 -46.31 82.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.178 0.591 . . . . 10.0 112.294 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.87 -45.64 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.542 -0.724 . . . . 10.0 111.476 172.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.78 -32.46 73.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.322 0.965 . . . . 10.0 112.894 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -69.51 -47.95 62.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.288 1.035 . . . . 10.0 111.836 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -80.06 -39.6 29.44 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.659 1.726 . . . . 10.0 115.659 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 120.203 3.409 . . . . 10.0 120.203 -170.351 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 119.296 -0.383 . . . . 10.0 111.527 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.93 -52.0 65.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.397 1.479 . . . . 10.0 112.043 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.39 -43.33 99.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.794 1.238 . . . . 10.0 112.161 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.52 -45.68 78.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.366 1.066 . . . . 10.0 112.325 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.01 -26.76 63.26 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.229 1.812 . . . . 10.0 113.272 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.63 -41.92 67.22 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.965 0.906 . . . . 10.0 113.213 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 302' ' ' LEU . . . . . 0.4 ' HA ' ' HE3' ' B' ' 606' ' ' LYS . 11.9 mt -61.38 -54.93 37.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.687 0.795 . . . . 10.0 111.968 170.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.02 -26.89 66.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.553 1.541 . . . . 10.0 113.771 -171.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 83.2 p -58.61 -25.95 63.17 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.811 1.412 . . . . 10.0 114.811 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.6 m -59.55 -38.28 80.66 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.515 1.126 . . . . 10.0 113.849 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 CA--C 1.539 0.526 0 O-C-N 121.172 -0.955 . . . . 10.0 112.271 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.365 0 N-CA-C 115.458 0.943 . . . . 10.0 115.458 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -53.34 -22.1 6.79 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.662 1.585 . . . . 10.0 114.753 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.49 -28.52 59.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.162 1.385 . . . . 10.0 113.141 173.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.31 -8.15 23.31 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.979 1.311 . . . . 10.0 113.854 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -122.21 4.36 9.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.133 1.773 . . . . 10.0 112.853 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 99.6 t -81.1 152.01 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.902 1.281 . . . . 10.0 110.265 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.5 p -131.8 154.62 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.053 1.341 . . . . 10.0 110.418 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.21 -36.58 80.31 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.399 -0.813 . . . . 10.0 111.529 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -59.06 -41.18 87.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.896 0.878 . . . . 10.0 112.395 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.27 -54.32 42.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.017 0.527 . . . . 10.0 110.733 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -53.64 -47.49 70.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.408 0.683 . . . . 10.0 112.139 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.9 m -58.1 -53.03 62.86 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.297 1.039 . . . . 10.0 112.915 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -68.06 -37.02 80.82 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.026 -0.421 . . . . 10.0 112.053 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.27 -41.27 90.13 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.257 -0.877 . . . . 10.0 112.539 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.49 -48.53 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.737 1.153 . . . . 10.0 110.435 169.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.62 -45.36 92.19 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 302' ' ' LEU . 13.0 ttpt -67.13 -32.14 73.07 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.168 0.987 . . . . 10.0 112.681 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -54.27 46.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.838 0.855 . . . . 10.0 109.079 169.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.83 -46.1 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.371 1.469 . . . . 10.0 112.848 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -59.82 -38.99 83.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.787 0.721 . . . . 10.0 112.724 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.56 65.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.469 HG12 HD13 ' B' ' 660' ' ' ILE . 92.5 mt -57.9 -47.44 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.342 1.057 . . . . 10.0 110.906 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 612' ' ' PHE . . . . . 0.433 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 3.4 t80 -149.33 109.84 3.42 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.676 0.79 . . . . 10.0 110.453 170.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -57.17 -8.2 3.3 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 124.551 3.5 . . . . 10.0 117.289 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 72.25 147.02 0.12 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 128.787 2.835 . . . . 10.0 114.397 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.433 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 55.6 Cg_endo -85.29 -28.83 0.75 Allowed 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.795 2.997 . . . . 10.0 112.621 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -162.09 147.04 9.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 127.908 2.483 . . . . 10.0 108.994 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -67.26 -15.0 44.93 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.17 1.914 . . . . 10.0 113.999 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.26 -29.74 65.46 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 111.947 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.39 -28.26 68.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.19 -24.37 18.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.565 1.546 . . . . 10.0 114.14 175.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 0.89 13.47 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.433 1.493 . . . . 10.0 114.396 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.25 145.32 55.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.508 0.723 . . . . 10.0 109.814 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -63.28 -24.0 67.67 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.177 -0.952 . . . . 10.0 112.608 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -68.77 -17.51 64.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.519 1.527 . . . . 10.0 114.077 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 19.9 ttt -113.21 -25.89 8.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.986 0.914 . . . . 10.0 113.281 171.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -55.25 -35.41 64.95 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.632 1.56 . . . . 10.0 112.74 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -67.57 -41.82 83.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.046 0.938 . . . . 10.0 112.348 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.9 1.28 . . . . 10.0 111.309 173.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.2 t -57.51 -42.44 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 126.649 1.979 . . . . 10.0 112.022 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.46 94.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.007 . . . . 10.0 112.1 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.462 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.7 -46.84 87.96 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.663 0.665 . . . . 10.0 110.722 170.615 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.63 85.79 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.172 0.896 . . . . 10.0 112.159 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.68 -44.71 95.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.619 0.768 . . . . 10.0 112.743 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.83 -43.56 98.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.286 1.034 . . . . 10.0 112.198 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.69 -53.56 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.409 1.084 . . . . 10.0 110.475 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -55.5 -45.03 77.08 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.381 0.672 . . . . 10.0 112.307 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.44 74.69 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.131 0.872 . . . . 10.0 114.833 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -84.49 -36.83 21.98 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.821 1.311 . . . . 10.0 111.724 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 34.6 mmt -66.6 -36.76 83.39 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.211 1.004 . . . . 10.0 111.097 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.9 -34.73 70.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.796 1.638 . . . . 10.0 113.348 170.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -89.82 -2.29 58.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.4 m -106.23 11.41 31.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.943 1.297 . . . . 10.0 113.72 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -134.18 129.53 35.92 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.491 1.116 . . . . 10.0 113.418 -170.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -14.28 60.53 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 74.0 p -145.97 161.64 39.62 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.497 1.519 . . . . 10.0 111.905 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -33.79 75.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.833 0.853 . . . . 10.0 112.365 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.25 -44.39 88.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.755 1.222 . . . . 10.0 112.633 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.61 -37.76 85.54 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.402 -0.811 . . . . 10.0 111.844 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.15 -51.68 68.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.092 0.957 . . . . 10.0 111.992 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.2 -45.47 68.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.54 -41.58 90.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.695 0.68 . . . . 10.0 112.006 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.64 -47.81 77.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.429 0.692 . . . . 10.0 112.483 172.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 26.1 mt -57.73 -45.55 85.63 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.511 1.051 . . . . 10.0 111.78 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.09 76.63 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.784 0.834 . . . . 10.0 112.468 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.06 -43.71 98.47 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.815 0.734 . . . . 10.0 110.672 169.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -65.85 -41.23 91.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.565 0.746 . . . . 10.0 111.911 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.6 mt -56.87 -51.81 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.305 0.957 . . . . 10.0 110.178 169.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.89 -49.83 75.39 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.678 0.791 . . . . 10.0 111.958 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -53.66 -55.04 29.49 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.931 0.892 . . . . 10.0 111.258 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 660' ' ' ILE . . . . . 0.469 HD13 HG12 ' B' ' 611' ' ' ILE . 72.4 mt -61.25 -49.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.311 0.505 . . . . 10.0 109.731 -176.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.45 -44.67 92.9 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.511 -0.743 . . . . 10.0 112.618 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 662' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.6 mmpt? -72.14 -41.39 67.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.272 1.029 . . . . 10.0 113.146 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.11 -48.36 82.04 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.994 0.918 . . . . 10.0 111.071 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.85 -52.67 64.73 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.855 0.862 . . . . 10.0 111.201 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.3 -43.67 79.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.596 0.758 . . . . 10.0 112.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.33 -45.16 73.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.256 -0.903 . . . . 10.0 113.055 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -66.13 -29.42 69.72 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 . . . . . 0 N--CA 1.478 0.949 0 C-N-CA 124.861 1.264 . . . . 10.0 112.736 171.522 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 113.123 0.786 . . . . 10.0 113.123 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.3 tp -159.16 77.6 3.04 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.652 1.181 . . . . 10.0 110.189 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.462 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 80.1 Cg_exo -46.53 128.69 12.98 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 125.231 3.954 . . . . 10.0 112.812 173.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.5 p -60.91 -39.56 89.82 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -171.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.88 -34.78 78.54 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.359 -0.838 . . . . 10.0 112.684 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 89.6 mt -76.2 -41.55 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.993 1.317 . . . . 10.0 110.196 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.1 ttt -53.38 -47.46 69.47 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.799 1.24 . . . . 10.0 111.575 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.84 -41.92 71.31 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.832 0.742 . . . . 10.0 112.918 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -65.93 -41.26 91.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.746 0.819 . . . . 10.0 112.254 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.03 -42.87 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.267 -0.896 . . . . 10.0 111.789 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.27 -31.89 73.27 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.044 0.838 . . . . 10.0 112.308 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -71.56 -43.94 65.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.054 0.942 . . . . 10.0 112.286 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -80.01 -47.16 15.37 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -174.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 117.864 2.542 . . . . 10.0 117.864 -169.531 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 119.204 -0.427 . . . . 10.0 112.142 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.27 -45.09 94.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.933 1.293 . . . . 10.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.45 -43.35 99.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.479 0.712 . . . . 10.0 111.647 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.12 -46.34 84.57 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.672 0.789 . . . . 10.0 111.437 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.58 -32.44 73.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.072 2.149 . . . . 10.0 113.583 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.01 -39.79 66.41 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.449 1.022 . . . . 10.0 113.622 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.82 -20.76 48.95 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.949 0.899 . . . . 10.0 113.052 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 58.0 ttm -80.02 -36.94 35.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.203 0.911 . . . . 10.0 110.912 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 73.9 m -51.01 -35.75 35.76 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.307 1.043 . . . . 10.0 111.74 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 27.2 m -50.58 -43.66 56.56 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.008 1.323 . . . . 10.0 113.752 175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 CA--C 1.543 0.69 0 O-C-N 120.933 -1.104 . . . . 10.0 111.464 -178.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.392 0 N-CA-C 115.528 0.971 . . . . 10.0 115.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -127.21 -10.89 5.85 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.66 1.726 . . . . 10.0 115.66 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -66.68 -24.76 66.31 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.314 -0.866 . . . . 10.0 113.284 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -18.11 63.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -94.26 -17.07 23.03 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.272 1.429 . . . . 10.0 112.874 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.52 150.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.337 1.455 . . . . 10.0 111.148 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 52.0 p -127.43 155.78 43.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.165 1.386 . . . . 10.0 110.583 171.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -58.88 -40.33 84.09 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.645 -0.66 . . . . 10.0 111.555 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.49 -35.1 79.34 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.31 -47.94 83.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.086 0.555 . . . . 10.0 111.358 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -59.48 -50.37 74.2 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.816 0.846 . . . . 10.0 111.257 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.7 m -56.21 -51.6 67.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.414 1.085 . . . . 10.0 112.927 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.45 -41.68 84.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.927 0.491 . . . . 10.0 111.472 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.23 -38.57 88.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 117.489 -1.243 . . . . 10.0 112.863 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.31 -49.86 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.64 1.564 . . . . 10.0 110.541 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -61.68 -48.17 82.03 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -68.02 -26.88 66.11 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.599 -0.688 . . . . 10.0 112.705 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.5 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.1 tp -58.2 -55.45 34.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 168.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.22 -46.14 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.442 1.097 . . . . 10.0 112.192 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -58.65 -40.74 84.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.21 57.09 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.689 -0.632 . . . . 10.0 111.896 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.02 -46.14 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.878 1.271 . . . . 10.0 111.165 -175.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -144.6 104.86 4.6 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 123.828 0.851 . . . . 10.0 109.251 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -58.18 -10.84 8.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 124.497 3.465 . . . . 10.0 116.757 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 70.3 p 61.1 148.28 0.08 OUTLIER Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 129.436 3.095 . . . . 10.0 115.836 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 -34.53 9.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.925 2.417 . . . . 10.0 112.347 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -156.32 158.91 31.7 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.168 2.587 . . . . 10.0 109.165 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.19 -16.21 39.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.684 2.256 . . . . 10.0 113.402 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.54 71.41 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.309 -0.87 . . . . 10.0 112.284 169.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.63 58.62 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.571 0.952 . . . . 10.0 113.571 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 74.3 mt -56.62 -21.72 29.05 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.483 1.513 . . . . 10.0 113.539 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -121.56 14.65 11.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.153 1.781 . . . . 10.0 113.945 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.59 143.97 48.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.163 0.985 . . . . 10.0 111.641 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -11.57 2.48 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.791 2.145 . . . . 10.0 116.791 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -107.43 -20.69 13.18 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.716 1.606 . . . . 10.0 113.004 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.35 -34.71 78.78 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.393 0.997 . . . . 10.0 110.227 169.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -52.57 -37.71 58.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.91 1.284 . . . . 10.0 114.185 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.18 -40.95 82.11 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.572 -0.705 . . . . 10.0 111.294 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.0 -36.68 80.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.811 0.845 . . . . 10.0 112.47 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.01 -42.65 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.807 1.643 . . . . 10.0 111.294 173.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.81 93.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.241 -0.912 . . . . 10.0 112.257 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -59.01 -46.16 88.88 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.078 0.951 . . . . 10.0 112.061 170.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.9 99.36 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.403 -0.811 . . . . 10.0 111.838 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.23 -42.37 99.25 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.33 0.968 . . . . 10.0 112.715 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.66 -48.29 77.81 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.91 1.284 . . . . 10.0 111.975 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.67 -49.75 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.102 0.961 . . . . 10.0 110.187 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.03 -44.75 83.21 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.127 0.876 . . . . 10.0 112.59 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.06 83.56 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.876 0.75 . . . . 10.0 114.025 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.77 -40.52 63.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.753 1.276 . . . . 10.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.9 mmt -66.85 -35.15 79.38 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.335 1.054 . . . . 10.0 111.502 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -64.16 -50.88 66.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.361 1.464 . . . . 10.0 112.551 171.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.78 -25.65 67.35 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.6 m -78.15 -7.29 56.86 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.57 140.66 37.23 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.751 1.019 . . . . 10.0 113.751 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -90.97 -11.14 39.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.206 1.802 . . . . 10.0 112.335 174.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.9 p -149.49 162.41 40.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.403 1.481 . . . . 10.0 112.837 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -57.16 -40.96 78.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.293 1.037 . . . . 10.0 112.103 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.62 -43.85 95.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.677 1.191 . . . . 10.0 112.461 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.46 -37.64 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.399 -0.813 . . . . 10.0 112.187 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.41 -54.93 41.42 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.281 1.032 . . . . 10.0 111.794 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.03 -47.87 53.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.863 0.865 . . . . 10.0 112.262 169.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -64.99 -41.68 95.19 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.325 -0.859 . . . . 10.0 112.188 -176.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.1 -42.91 99.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.45 1.1 . . . . 10.0 112.189 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.4 -52.95 63.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.622 0.646 . . . . 10.0 111.571 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.99 76.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.37 -48.06 74.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.19 -0.944 . . . . 10.0 112.428 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -68.47 -30.07 68.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.215 -0.928 . . . . 10.0 111.443 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.3 mm -62.73 -48.49 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.389 1.076 . . . . 10.0 111.586 169.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.84 -47.33 85.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.578 0.751 . . . . 10.0 111.603 172.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -54.5 24.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.545 1.538 . . . . 10.0 111.907 176.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.33 -50.22 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.042 1.337 . . . . 10.0 110.987 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.27 -46.46 86.71 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.967 0.507 . . . . 10.0 112.057 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.73 62.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.567 1.147 . . . . 10.0 113.267 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -63.88 -39.96 95.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.93 0.492 . . . . 10.0 112.29 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.86 -40.09 9.9 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.61 -44.15 76.77 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.335 0.971 . . . . 10.0 113.368 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.27 -21.42 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.576 -1.327 . . . . 10.0 113.665 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -90.38 -10.55 43.53 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.809 1.244 . . . . 10.0 113.349 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 N--CA 1.484 1.264 0 C-N-CA 126.24 1.816 . . . . 10.0 113.659 -170.214 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 29.6 mm . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.2 tp -123.43 86.1 52.23 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 127.119 2.168 . . . . 10.0 109.933 -173.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.44 137.95 24.66 Favored 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 125.497 4.131 . . . . 10.0 113.715 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 34.6 p -58.21 -37.63 75.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.58 -37.07 84.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.631 0.772 . . . . 10.0 112.851 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.52 -43.46 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 10.0 110.25 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 42.3 ttp -54.37 -48.73 71.16 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.741 1.217 . . . . 10.0 111.528 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -53.23 -38.31 62.82 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.35 -42.33 96.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.726 -0.609 . . . . 10.0 112.255 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 11.3 t -69.18 -44.41 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.619 0.768 . . . . 10.0 110.938 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 44.1 mt -59.12 -43.06 91.93 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.345 0.975 . . . . 10.0 112.511 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -67.96 -41.07 82.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.888 0.875 . . . . 10.0 112.905 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -80.12 -35.16 37.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -175.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 49.7 p . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 120.632 3.567 . . . . 10.0 120.632 -169.446 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.38 -56.3 21.66 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.606 1.162 . . . . 10.0 112.013 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.07 -38.64 86.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.516 0.598 . . . . 10.0 112.099 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.18 -42.23 90.32 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.091 0.859 . . . . 10.0 111.627 174.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.15 -29.01 67.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.881 1.273 . . . . 10.0 113.706 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 53.1 mt -53.92 -40.8 67.03 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.042 1.292 . . . . 10.0 112.755 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.44 -45.71 24.88 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 171.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.5 mtm -64.1 -26.03 68.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 98.6 p -66.7 -19.96 65.87 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -53.04 -28.67 25.59 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.598 1.703 . . . . 10.0 115.598 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.473 0.704 0 O-C-N 120.811 -1.181 . . . . 10.0 113.863 177.039 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.247 0 N-CA-C 114.612 0.605 . . . . 10.0 114.612 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -62.57 -13.87 36.0 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.699 1.74 . . . . 10.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.91 -23.3 66.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.226 1.41 . . . . 10.0 114.013 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.05 -16.18 40.77 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.677 1.362 . . . . 10.0 114.677 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -94.79 13.94 22.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.33 1.452 . . . . 10.0 113.372 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.03 147.09 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.763 1.625 . . . . 10.0 110.353 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 97.7 m -135.59 153.47 51.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.295 1.838 . . . . 10.0 110.166 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -51.13 -42.75 60.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.41 -39.49 67.33 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.98 0.809 . . . . 10.0 112.891 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 42.2 tp -68.67 -47.83 65.5 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.242 0.617 . . . . 10.0 111.07 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -52.24 -51.61 57.33 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.364 1.066 . . . . 10.0 112.243 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.6 m -55.25 -47.01 76.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.105 1.362 . . . . 10.0 112.383 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -69.28 -43.81 73.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.553 0.741 . . . . 10.0 111.874 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.84 -35.69 81.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.392 0.996 . . . . 10.0 112.862 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.19 -51.73 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.323 0.965 . . . . 10.0 110.69 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -61.9 -38.13 87.21 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.737 -0.602 . . . . 10.0 112.297 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -66.65 -34.25 77.46 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.69 1.196 . . . . 10.0 112.549 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.15 66.68 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.113 0.965 . . . . 10.0 108.97 168.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.77 -46.39 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.726 1.21 . . . . 10.0 113.265 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -60.88 -37.46 82.26 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.4 -28.83 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 611' ' ' ILE . . . . . 0.428 HG12 HG21 ' B' ' 660' ' ' ILE . 83.6 mt -74.87 -49.94 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.395 1.078 . . . . 10.0 110.254 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 612' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 1.1 t80 -140.4 100.09 6.99 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.724 0.809 . . . . 10.0 110.587 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -68.35 93.69 0.42 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.644 2.896 . . . . 10.0 108.804 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 7.7 p -54.75 147.64 30.45 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.613 1.565 . . . . 10.0 114.477 -171.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.89 -32.55 17.83 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.898 2.399 . . . . 10.0 112.394 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -152.73 159.84 31.9 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 127.24 2.216 . . . . 10.0 110.084 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.58 -21.22 39.96 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.854 2.369 . . . . 10.0 112.27 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.53 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.392 -0.818 . . . . 10.0 111.556 169.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.0 85.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.801 0.84 . . . . 10.0 112.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.29 -46.16 91.45 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.169 1.387 . . . . 10.0 112.216 172.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.31 -31.04 65.35 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.636 1.174 . . . . 10.0 113.862 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.38 141.55 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.955 1.302 . . . . 10.0 113.242 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -23.37 6.26 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.118 1.895 . . . . 10.0 116.118 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.0 -33.62 72.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.499 1.045 . . . . 10.0 113.018 172.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.6 tpt -77.87 -34.19 51.73 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.175 0.99 . . . . 10.0 112.002 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.18 -30.22 61.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.39 0.885 . . . . 10.0 113.39 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -61.64 -38.92 89.48 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.599 1.16 . . . . 10.0 112.645 173.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.76 -45.98 40.28 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.04 1.336 . . . . 10.0 111.574 171.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.3 t -55.53 -39.69 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.498 1.119 . . . . 10.0 112.306 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.01 92.38 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.521 1.128 . . . . 10.0 112.54 175.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.509 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.04 -43.45 92.3 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.601 -0.687 . . . . 10.0 110.63 171.774 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.57 86.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.133 0.879 . . . . 10.0 112.437 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -60.32 -47.66 85.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.309 0.958 . . . . 10.0 112.447 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.53 -45.09 95.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.222 1.009 . . . . 10.0 112.251 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.47 -52.39 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.267 1.027 . . . . 10.0 110.758 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.75 -44.16 69.74 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.364 0.983 . . . . 10.0 112.219 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.94 -32.79 81.95 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.01 0.814 . . . . 10.0 113.95 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.38 -35.94 58.37 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.128 1.464 . . . . 10.0 111.814 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.2 mmt -66.68 -39.64 88.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.908 0.883 . . . . 10.0 110.796 173.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.3 -48.38 75.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.144 1.378 . . . . 10.0 112.892 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -66.63 -20.7 66.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.148 1.166 . . . . 10.0 114.148 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.1 p -104.77 -26.68 12.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.14 130.48 43.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.882 0.873 . . . . 10.0 113.259 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -77.39 -10.47 59.47 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 25.1 p -149.91 163.63 37.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.684 1.194 . . . . 10.0 112.539 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -63.48 -36.47 83.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.104 1.362 . . . . 10.0 113.093 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.33 -44.14 76.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.15 0.98 . . . . 10.0 111.457 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.26 -35.98 82.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.276 0.63 . . . . 10.0 111.831 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.58 -57.06 14.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.651 1.18 . . . . 10.0 112.57 173.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.17 -44.8 71.82 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -58.85 -43.0 90.65 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.505 0.593 . . . . 10.0 112.108 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.29 -43.59 85.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.372 1.069 . . . . 10.0 112.64 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.18 -48.77 75.73 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.348 0.976 . . . . 10.0 111.294 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -36.92 78.05 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.12 -42.83 99.63 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.389 -0.819 . . . . 10.0 111.296 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -41.15 95.43 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.841 -1.076 . . . . 10.0 112.858 174.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.2 mt -53.05 -54.55 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.382 0.992 . . . . 10.0 109.425 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -40.5 68.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.505 -0.759 . . . . 10.0 112.333 -169.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -47.17 63.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.094 0.861 . . . . 10.0 111.646 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 660' ' ' ILE . . . . . 0.428 HG21 HG12 ' B' ' 611' ' ' ILE . 59.7 mt -59.44 -49.15 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.765 0.426 . . . . 10.0 110.732 173.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -76.46 -49.98 15.25 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -169.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . 0.284 22.1 ptmt -70.63 -17.09 62.88 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 120.665 1.575 . . . . 10.0 113.467 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -78.29 -43.63 27.5 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.615 0.643 . . . . 10.0 110.432 168.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.36 -36.25 77.58 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.038 -1.039 . . . . 10.0 112.995 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.1 -22.36 39.02 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.011 0.924 . . . . 10.0 113.41 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.26 -47.2 7.33 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.56 1.144 . . . . 10.0 112.183 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -70.0 -8.58 50.24 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? . . . . . 0 N--CA 1.483 1.184 0 C-N-CA 126.691 1.996 . . . . 10.0 112.998 170.454 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 37.2 mm . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.5 tp -147.7 84.41 7.05 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 125.894 1.677 . . . . 10.0 107.986 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.509 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 39.4 Cg_exo -48.11 6.25 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.135 2 C-N-CA 129.423 6.749 . . . . 10.0 122.719 -169.447 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 25.4 m 65.31 -50.02 0.36 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.387 2.275 . . . . 10.0 115.392 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.33 -46.38 73.66 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.923 -1.111 . . . . 10.0 111.792 174.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.59 -35.3 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 122.904 0.482 . . . . 10.0 110.431 170.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 26.1 ttt -55.75 -49.96 71.68 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.221 0.919 . . . . 10.0 111.468 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.74 -42.04 71.14 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 10.0 112.918 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.38 -47.86 83.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.429 1.092 . . . . 10.0 112.515 172.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.32 -43.44 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.472 1.033 . . . . 10.0 111.035 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.79 -36.11 82.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.064 0.847 . . . . 10.0 112.647 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.83 -40.04 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.195 0.998 . . . . 10.0 112.977 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 856' ' ' ASN . . . . . 0.438 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 40.3 m-80 -79.98 -36.13 36.49 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.116 1.525 . . . . 10.0 115.116 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 117.343 2.349 . . . . 10.0 117.343 -171.293 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 119.133 -0.461 . . . . 10.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -55.58 -46.34 77.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.206 1.402 . . . . 10.0 112.841 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.86 -44.47 80.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.637 0.775 . . . . 10.0 112.217 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.08 -42.07 80.96 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.641 -0.662 . . . . 10.0 111.609 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.2 tp -71.5 -26.3 62.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.524 1.93 . . . . 10.0 112.876 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -42.05 60.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.183 1.393 . . . . 10.0 113.164 -178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.72 -54.9 15.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.689 1.196 . . . . 10.0 111.62 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 40.9 ttm -58.73 -31.99 68.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.631 1.173 . . . . 10.0 114.111 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.7 m -61.92 -19.86 63.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.838 1.655 . . . . 10.0 114.686 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 44.6 m -55.6 -23.05 25.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.106 1.362 . . . . 10.0 114.255 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.476 0.86 0 CA-C-N 119.93 1.241 . . . . 10.0 113.675 172.845 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.303 0 N-CA-C 114.422 0.529 . . . . 10.0 114.422 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -118.43 -5.09 10.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.991 1.316 . . . . 10.0 114.049 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.59 -22.9 66.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.732 1.213 . . . . 10.0 111.981 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -60.53 -19.28 56.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.265 2.226 . . . . 10.0 113.586 173.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -90.33 6.81 41.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.059 1.344 . . . . 10.0 113.247 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.81 160.4 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.655 1.982 . . . . 10.0 110.322 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.7 t -146.23 157.55 43.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.987 1.315 . . . . 10.0 111.401 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -57.54 -34.38 69.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.713 1.205 . . . . 10.0 113.261 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.34 -36.17 82.8 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.473 -0.767 . . . . 10.0 112.354 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.51 -48.97 62.99 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 118.951 -0.547 . . . . 10.0 110.538 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -51.81 -47.34 64.32 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.47 0.708 . . . . 10.0 111.675 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 52.9 m -58.22 -50.74 72.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.003 1.321 . . . . 10.0 112.632 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.87 -38.23 82.82 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.945 -0.472 . . . . 10.0 111.832 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.93 -40.12 94.41 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.888 -1.133 . . . . 10.0 111.936 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.79 -48.52 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.939 1.245 . . . . 10.0 110.964 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -57.63 -40.97 80.4 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -70.97 -36.11 72.4 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.992 0.917 . . . . 10.0 112.895 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' B' ' 657' ' ' ILE . 2.4 tp -59.39 -52.79 64.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.588 1.155 . . . . 10.0 110.045 172.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.53 -47.81 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.015 1.726 . . . . 10.0 113.104 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.74 -30.93 69.66 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.1 73.74 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.038 0.835 . . . . 10.0 111.878 171.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 57.8 mt -64.05 -51.38 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.049 0.94 . . . . 10.0 110.96 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -146.14 104.46 4.11 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.756 0.823 . . . . 10.0 110.733 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.7 -12.55 21.98 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.265 3.31 . . . . 10.0 116.575 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 66.5 p 64.13 147.84 0.1 OUTLIER Pre-proline 0 N--CA 1.484 1.228 0 C-N-CA 129.085 2.954 . . . . 10.0 115.198 -169.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.08 -34.0 10.91 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.785 2.323 . . . . 10.0 112.353 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -157.09 159.49 31.14 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 128.245 2.618 . . . . 10.0 109.065 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.29 -18.9 44.59 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.771 2.314 . . . . 10.0 113.19 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.59 73.68 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.625 0.77 . . . . 10.0 112.721 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -70.79 -21.21 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.95 -27.98 67.25 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.535 1.134 . . . . 10.0 112.972 170.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -78.02 -17.0 57.61 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.138 1.375 . . . . 10.0 113.832 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.25 143.83 57.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.904 0.882 . . . . 10.0 112.82 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -63.55 -29.87 71.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.003 0.921 . . . . 10.0 113.036 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -73.26 -32.12 64.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.377 0.671 . . . . 10.0 112.65 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -70.11 -36.75 75.08 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.061 0.846 . . . . 10.0 111.038 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.42 -38.35 86.79 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.326 1.05 . . . . 10.0 112.656 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -66.2 -40.24 90.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.158 -0.964 . . . . 10.0 112.284 171.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.03 -45.13 94.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.932 0.893 . . . . 10.0 111.67 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.5 t -54.73 -45.06 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.896 1.678 . . . . 10.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.27 -39.43 86.08 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.184 0.994 . . . . 10.0 112.993 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -59.89 -43.78 94.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.251 1.02 . . . . 10.0 111.559 170.261 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.96 95.85 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.292 -0.88 . . . . 10.0 112.249 173.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.4 -45.22 95.25 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.734 1.152 . . . . 10.0 112.49 171.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -47.98 82.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.151 . . . . 10.0 111.905 177.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.06 -40.77 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.735 -0.65 . . . . 10.0 111.71 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.1 -49.51 68.97 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.011 1.278 . . . . 10.0 111.225 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.21 -38.59 94.72 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.547 0.594 . . . . 10.0 113.884 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.4 -35.8 78.21 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.806 1.303 . . . . 10.0 112.34 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.79 -39.62 69.76 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.27 . . . . 10.0 110.925 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.38 -38.8 91.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.484 1.514 . . . . 10.0 112.551 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -79.76 5.27 13.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.329 1.452 . . . . 10.0 114.198 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.8 m -120.83 14.51 11.65 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.608 1.563 . . . . 10.0 113.444 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -131.26 150.33 52.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.643 1.177 . . . . 10.0 113.329 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -103.98 -3.22 24.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.827 1.651 . . . . 10.0 112.611 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 63.4 p -154.22 161.75 41.63 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 126.507 1.923 . . . . 10.0 110.102 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -27.38 68.66 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 175.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -71.21 -37.33 72.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.795 0.838 . . . . 10.0 112.027 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.69 -39.43 84.41 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.456 -0.778 . . . . 10.0 111.526 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.49 -52.5 65.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.927 0.891 . . . . 10.0 111.704 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -49.19 -47.8 45.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.59 -42.92 99.85 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.509 0.595 . . . . 10.0 112.322 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.27 -42.89 96.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.554 0.742 . . . . 10.0 112.741 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.4 mt -55.74 -54.15 47.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.644 0.656 . . . . 10.0 110.458 170.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -28.67 66.68 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.498 0.925 . . . . 10.0 113.498 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -67.71 -41.8 82.99 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.456 1.025 . . . . 10.0 111.877 171.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -34.74 78.52 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.277 -0.889 . . . . 10.0 111.645 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.511 HD11 ' HG ' ' B' ' 607' ' ' LEU . 22.0 mm -64.42 -45.64 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.391 1.077 . . . . 10.0 111.884 170.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -55.93 -48.98 74.74 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.089 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -53.4 -58.13 8.2 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.298 0.954 . . . . 10.0 111.644 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.98 -48.81 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.602 0.637 . . . . 10.0 111.185 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.54 -52.51 63.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.205 0.602 . . . . 10.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -36.36 78.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.096 0.958 . . . . 10.0 112.485 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -69.68 -49.54 52.53 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.051 0.54 . . . . 10.0 111.997 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.57 -32.63 74.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.996 1.271 . . . . 10.0 112.472 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -60.54 -6.87 1.81 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.356 1.613 . . . . 10.0 115.356 169.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -122.86 -36.57 2.86 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.982 1.265 . . . . 10.0 113.711 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -63.83 -11.44 27.22 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.939 1.296 . . . . 10.0 114.07 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 126.527 1.931 . . . . 10.0 113.044 172.441 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.647 0.737 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.8 tp -146.15 76.89 12.17 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.246 2.218 . . . . 10.0 108.384 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 32.3 Cg_exo -42.86 136.87 4.56 Favored 'Trans proline' 0 C--N 1.353 0.791 1 C-N-CA 126.395 4.73 . . . . 10.0 114.29 178.674 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 19.7 m -51.08 -40.01 57.39 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.752 . . . . 10.0 115.729 -169.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.19 -27.2 60.7 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.85 -42.6 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 169.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 49.7 ttp -52.95 -54.28 37.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.647 0.779 . . . . 10.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.43 -42.29 70.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.415 1.086 . . . . 10.0 112.844 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -61.95 -47.02 86.73 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.247 1.019 . . . . 10.0 112.341 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.65 -44.18 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.238 0.926 . . . . 10.0 111.159 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.51 -34.52 78.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.154 0.888 . . . . 10.0 113.056 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.99 42.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.8 -47.73 20.66 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 -170.869 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.5 tptt . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.83 -47.75 73.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.732 1.213 . . . . 10.0 112.395 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.05 -43.38 91.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.069 0.948 . . . . 10.0 112.154 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.27 -48.03 68.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.472 0.709 . . . . 10.0 111.446 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.29 -29.47 68.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.982 1.713 . . . . 10.0 113.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.79 -44.05 63.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.708 1.203 . . . . 10.0 113.203 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.33 -20.17 62.22 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.35 0.87 . . . . 10.0 113.35 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 50.2 ttm -80.05 -40.62 27.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.883 0.765 . . . . 10.0 110.172 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -55.29 -27.63 48.05 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.891 1.276 . . . . 10.0 113.271 175.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 305' ' ' THR . . . . . 0.435 HG23 ' CD2' ' B' ' 602' ' ' HIS . 52.2 m -46.05 -40.64 10.99 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.781 1.232 . . . . 10.0 113.221 169.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 CA--C 1.542 0.65 0 O-C-N 121.608 -0.683 . . . . 10.0 112.577 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.356 0 N-CA-C 114.645 0.618 . . . . 10.0 114.645 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -132.92 -7.19 3.11 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.727 1.381 . . . . 10.0 114.727 -170.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -61.45 -29.02 69.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.718 1.207 . . . . 10.0 113.144 -170.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -16.33 62.65 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.554 1.942 . . . . 10.0 114.932 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -41.76 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.855 0.862 . . . . 10.0 111.93 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.89 148.9 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 10.0 110.518 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.5 p -111.73 162.02 15.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.145 1.378 . . . . 10.0 111.398 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -57.17 -34.14 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.145 -0.972 . . . . 10.0 113.521 171.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.02 -41.39 86.71 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.708 0.686 . . . . 10.0 111.419 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -47.19 82.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.168 0.587 . . . . 10.0 111.56 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -58.45 -52.15 66.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.574 0.75 . . . . 10.0 111.729 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -53.08 -50.62 64.01 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.789 0.835 . . . . 10.0 113.159 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 602' ' ' HIS . . . . . 0.435 ' CD2' HG23 ' A' ' 305' ' ' THR . 10.6 t60 -73.14 -38.61 66.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.023 -0.513 . . . . 10.0 112.068 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.08 -35.38 78.49 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.587 -1.196 . . . . 10.0 112.046 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.38 -50.64 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 120.449 1.477 . . . . 10.0 110.709 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -59.24 -44.82 92.34 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -34.46 76.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.562 0.745 . . . . 10.0 112.437 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.64 -53.19 55.45 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.757 0.823 . . . . 10.0 109.875 169.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.82 -46.02 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.068 0.947 . . . . 10.0 112.162 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -63.87 -24.21 67.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -104.7 -25.96 12.48 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.202 0.91 . . . . 10.0 113.297 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.53 -43.43 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 118.807 0.73 . . . . 10.0 109.409 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.7 105.43 6.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.112 0.965 . . . . 10.0 108.776 169.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.19 92.21 0.27 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.496 2.797 . . . . 10.0 110.603 169.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 6.8 t -51.12 140.05 22.95 Favored Pre-proline 0 N--CA 1.473 0.687 0 C-N-CA 126.318 1.847 . . . . 10.0 113.335 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.5 -30.62 14.88 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.97 2.447 . . . . 10.0 111.992 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -150.97 159.93 32.95 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 128.399 2.68 . . . . 10.0 108.304 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.62 -20.92 34.85 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.314 2.009 . . . . 10.0 112.403 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.59 -31.58 72.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.036 0.935 . . . . 10.0 113.138 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.85 -21.9 63.31 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.154 -0.967 . . . . 10.0 113.119 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.31 -26.84 68.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.174 0.99 . . . . 10.0 112.925 169.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.81 -12.9 52.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.283 1.433 . . . . 10.0 113.167 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.08 140.86 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.82 0.848 . . . . 10.0 112.202 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -49.23 -35.57 17.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.381 1.472 . . . . 10.0 114.882 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -74.65 -30.42 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.057 0.943 . . . . 10.0 113.053 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -24.16 67.36 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.467 0.707 . . . . 10.0 112.241 173.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.95 -32.06 67.46 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 10.0 113.734 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -67.75 -40.85 84.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.433 1.015 . . . . 10.0 111.516 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.37 -48.09 74.14 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.506 1.522 . . . . 10.0 111.121 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 30.6 t -55.24 -46.33 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.474 1.91 . . . . 10.0 112.704 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.88 -40.98 87.97 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.101 -0.999 . . . . 10.0 112.106 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -59.52 -44.95 93.02 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.096 0.958 . . . . 10.0 112.031 170.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.45 96.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 10.0 112.132 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.94 -43.33 98.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.572 0.624 . . . . 10.0 112.379 172.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -62.77 -49.54 74.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.031 0.932 . . . . 10.0 111.762 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.26 -42.89 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.642 1.177 . . . . 10.0 111.493 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.52 -43.84 80.19 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.53 1.059 . . . . 10.0 111.842 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.2 -36.35 91.68 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.097 0.856 . . . . 10.0 114.404 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.93 -39.36 72.69 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.282 1.541 . . . . 10.0 111.602 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 639' ' ' MET . . . . . 0.404 ' SD ' ' HE3' ' B' ' 656' ' ' LYS . 36.9 mmt -71.98 -35.07 69.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.198 0.999 . . . . 10.0 111.419 178.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -65.08 -45.71 84.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.709 1.604 . . . . 10.0 112.622 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.42 -30.86 71.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.81 1.244 . . . . 10.0 112.673 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.5 m -84.98 -5.89 59.35 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.76 128.23 51.17 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.195 1.183 . . . . 10.0 114.195 -169.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -83.15 -10.01 58.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.796 1.638 . . . . 10.0 113.444 174.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.3 p -148.75 162.99 38.66 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.738 1.215 . . . . 10.0 112.429 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -29.96 70.97 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.178 0.991 . . . . 10.0 113.181 176.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.68 -43.86 65.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.8 0.84 . . . . 10.0 111.494 172.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.62 -33.98 77.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.342 0.657 . . . . 10.0 112.54 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -57.16 -61.4 2.49 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.208 1.403 . . . . 10.0 112.238 172.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -49.95 -46.15 52.04 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -64.51 -41.62 96.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.35 -0.844 . . . . 10.0 112.338 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.87 -44.35 93.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.541 1.136 . . . . 10.0 112.245 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -54.41 -54.5 39.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.733 0.697 . . . . 10.0 110.793 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.87 76.56 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.037 0.755 . . . . 10.0 113.037 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.71 -46.14 69.72 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.911 -1.118 . . . . 10.0 112.612 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 656' ' ' LYS . . . . . 0.404 ' HE3' ' SD ' ' B' ' 639' ' ' MET . 0.4 OUTLIER -68.53 -26.78 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.804 -1.185 . . . . 10.0 112.239 175.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' B' ' 610' ' ' ALA . 2.6 mm -65.57 -46.93 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 10.0 110.596 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -57.46 -44.66 84.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.357 0.663 . . . . 10.0 111.882 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -54.15 -59.44 4.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.724 1.209 . . . . 10.0 112.02 172.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.93 -44.49 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.018 1.327 . . . . 10.0 111.293 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.99 -60.39 2.88 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.241 0.617 . . . . 10.0 111.381 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -34.85 78.23 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.024 1.12 . . . . 10.0 114.024 -169.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.38 -31.8 73.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.22 0.608 . . . . 10.0 111.992 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.7 mp -87.03 -37.13 17.76 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.33 -47.6 69.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.503 1.502 . . . . 10.0 113.62 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -9.73 54.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.42 -1.425 . . . . 10.0 114.176 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -102.47 -5.74 23.71 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.896 1.678 . . . . 10.0 112.815 172.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? . . . . . 0 N--CA 1.483 1.196 0 C-N-CA 126.887 2.075 . . . . 10.0 113.875 -173.483 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 16.4 mm . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.8 tp -116.71 100.59 53.5 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 125.576 1.55 . . . . 10.0 111.454 -169.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.6 146.72 14.46 Favored 'Trans proline' 0 C--N 1.353 0.794 1 C-N-CA 125.984 4.456 . . . . 10.0 114.77 173.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 61.7 p -61.24 -38.72 87.67 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.989 1.478 . . . . 10.0 114.989 -174.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.34 -40.0 85.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.354 -0.841 . . . . 10.0 112.505 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.46 -42.47 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.585 0.754 . . . . 10.0 109.252 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 56.1 ttm -51.14 -56.22 13.82 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.563 1.145 . . . . 10.0 110.832 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -53.25 -42.09 66.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.17 -43.14 99.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.306 0.642 . . . . 10.0 112.495 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.29 -42.37 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.698 -0.626 . . . . 10.0 111.296 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.37 -44.87 95.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.503 1.047 . . . . 10.0 112.767 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.74 85.85 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.799 0.84 . . . . 10.0 113.092 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -80.09 -40.09 28.27 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.585 1.698 . . . . 10.0 115.585 -175.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 121.499 3.888 . . . . 10.0 121.499 -169.315 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -51.97 -51.48 56.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.479 1.112 . . . . 10.0 112.491 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.84 -39.02 90.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.308 1.443 . . . . 10.0 112.752 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.78 -49.52 72.6 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.65 0.78 . . . . 10.0 110.66 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.54 -28.15 69.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.063 2.145 . . . . 10.0 113.675 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 28.1 mt -48.18 -36.46 13.68 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.238 1.415 . . . . 10.0 114.384 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.07 -27.31 63.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 55.4 ttm -74.37 -41.12 61.53 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.325 1.42 . . . . 10.0 110.863 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 21.5 m -55.1 -19.94 8.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.934 1.694 . . . . 10.0 113.198 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 305' ' ' THR . . . . . 0.452 HG23 ' CD2' ' B' ' 602' ' ' HIS . 63.5 m -50.65 -46.84 58.68 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.182 . . . . 10.0 112.78 170.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 N--CA 1.468 0.475 0 CA-C-N 118.963 0.801 . . . . 10.0 111.691 177.85 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.113 0 N-CA-C 114.053 0.381 . . . . 10.0 114.053 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -131.01 -4.89 3.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.957 1.466 . . . . 10.0 114.957 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -69.25 -20.76 63.94 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.798 0.839 . . . . 10.0 112.735 -172.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.56 -16.4 60.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.883 1.273 . . . . 10.0 114.426 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.96 12.4 28.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.988 1.315 . . . . 10.0 112.947 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.68 150.53 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.968 1.707 . . . . 10.0 110.803 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 44.1 p -134.48 161.73 34.22 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.633 1.573 . . . . 10.0 110.728 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.55 -34.17 72.34 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.495 -0.753 . . . . 10.0 112.081 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.15 -33.89 72.35 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.48 -0.763 . . . . 10.0 112.524 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.44 -49.71 74.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.362 0.665 . . . . 10.0 111.18 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -55.86 -48.03 76.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.566 0.746 . . . . 10.0 111.351 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -57.87 -52.21 66.4 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.31 1.044 . . . . 10.0 113.15 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 602' ' ' HIS . . . . . 0.452 ' CD2' HG23 ' A' ' 305' ' ' THR . 8.8 t60 -70.35 -40.75 73.9 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.118 0.567 . . . . 10.0 111.97 -176.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.88 -45.88 91.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.527 0.603 . . . . 10.0 111.495 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.11 -49.31 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.426 0.69 . . . . 10.0 111.557 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -59.94 -44.15 94.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.301 0.955 . . . . 10.0 112.139 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -66.15 -35.0 79.32 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.557 -0.714 . . . . 10.0 112.565 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -50.37 73.27 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.793 0.837 . . . . 10.0 111.368 169.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.84 -46.4 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.913 1.285 . . . . 10.0 112.17 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -63.29 -41.65 99.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.611 0.765 . . . . 10.0 112.939 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.82 84.94 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.634 -0.667 . . . . 10.0 112.523 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.15 -52.24 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.008 0.923 . . . . 10.0 110.428 175.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 612' ' ' PHE . . . . . 0.454 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 2.0 t80 -141.0 103.5 6.2 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.941 0.896 . . . . 10.0 110.517 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -58.51 -8.34 5.3 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.927 3.751 . . . . 10.0 117.621 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 22.3 m 69.26 133.04 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 128.078 2.551 . . . . 10.0 113.356 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.454 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 87.8 Cg_endo -87.31 -30.39 0.3 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.88 3.053 . . . . 10.0 113.112 -175.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -157.15 157.33 30.43 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.248 1.819 . . . . 10.0 111.636 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -71.27 -1.06 9.05 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.136 2.557 . . . . 10.0 115.68 -174.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -100.7 -28.25 12.94 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.71 1.141 . . . . 10.0 112.166 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.21 71.91 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.549 1.068 . . . . 10.0 113.277 173.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.97 -9.76 56.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.284 1.587 . . . . 10.0 115.284 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -86.93 -10.28 53.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.957 0.903 . . . . 10.0 113.24 170.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.56 146.87 51.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.636 0.774 . . . . 10.0 112.692 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -38.3 45.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.877 1.671 . . . . 10.0 113.057 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -67.29 -29.87 69.58 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 8.9 tpt -76.46 -32.62 58.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.611 1.096 . . . . 10.0 111.653 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.12 -34.59 76.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.673 -1.267 . . . . 10.0 111.611 169.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -65.98 -42.13 90.23 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.402 -0.812 . . . . 10.0 112.3 169.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -52.56 64.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.128 0.971 . . . . 10.0 110.453 173.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 13.4 t -53.52 -44.87 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.534 1.934 . . . . 10.0 112.436 174.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.19 78.92 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.449 1.099 . . . . 10.0 112.742 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.513 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.12 -45.63 92.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 10.0 111.204 172.074 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.518 0.727 . . . . 10.0 111.692 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.76 -45.06 91.54 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.911 0.778 . . . . 10.0 113.095 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.94 -44.35 94.41 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.638 1.175 . . . . 10.0 112.017 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.07 -40.18 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 118.715 -0.659 . . . . 10.0 111.872 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -39.8 68.26 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.226 1.376 . . . . 10.0 111.822 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.01 76.65 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.153 0.882 . . . . 10.0 113.976 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.22 -33.94 61.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.98 1.39 . . . . 10.0 111.478 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 19.0 mmt -68.54 -38.27 80.68 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.682 0.793 . . . . 10.0 110.792 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -66.14 -48.97 69.04 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.124 1.37 . . . . 10.0 112.591 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.94 -21.02 63.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p -97.72 -30.19 12.95 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.299 1.222 . . . . 10.0 114.299 -175.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.31 143.07 57.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.274 1.029 . . . . 10.0 113.149 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -82.05 -21.36 36.95 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.507 1.123 . . . . 10.0 113.163 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.4 p -142.27 162.21 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.472 1.509 . . . . 10.0 112.61 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.9 ttp-105 -60.2 -37.48 80.37 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.114 0.965 . . . . 10.0 112.47 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.39 -42.74 95.97 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.648 1.179 . . . . 10.0 112.839 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.67 -39.22 84.5 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.239 -0.913 . . . . 10.0 111.93 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.44 -54.74 43.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.354 1.062 . . . . 10.0 111.592 172.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -50.65 -46.25 58.34 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.22 1.008 . . . . 10.0 112.845 170.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -61.65 -42.95 99.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.377 0.99 . . . . 10.0 112.143 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.67 -42.07 99.42 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.064 0.946 . . . . 10.0 112.407 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.0 -45.27 95.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.581 -0.699 . . . . 10.0 112.187 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.55 64.04 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.699 -0.626 . . . . 10.0 112.511 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.049 -1.032 . . . . 10.0 111.219 169.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.26 -41.88 99.1 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.264 -0.874 . . . . 10.0 112.572 173.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 6.9 mm -53.39 -57.32 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.178 0.899 . . . . 10.0 109.037 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -59.21 -57.35 13.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.442 1.097 . . . . 10.0 111.739 -170.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.3 tmtt? -55.32 -51.79 65.58 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.855 0.862 . . . . 10.0 112.26 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.85 -40.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 122.879 0.472 . . . . 10.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.33 -57.5 6.51 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.611 -0.681 . . . . 10.0 112.108 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -67.3 -25.08 65.86 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.84 -59.46 3.85 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.808 0.731 . . . . 10.0 110.621 169.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.46 -42.71 83.06 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.963 0.905 . . . . 10.0 113.091 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -59.34 -18.81 41.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.09 -32.53 6.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.337 1.055 . . . . 10.0 112.709 172.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 667' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' B' ' 667' ' ' LYS . 0.0 OUTLIER -68.42 -30.46 69.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.056 -1.028 . . . . 10.0 112.892 -178.079 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 . . . . . 0 N--CA 1.483 1.193 0 C-N-CA 124.257 1.023 . . . . 10.0 111.914 169.375 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 118.33 -0.843 . . . . 10.0 113.267 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.9 tp -134.16 84.57 41.79 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.33 1.452 . . . . 10.0 110.047 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.513 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 45.7 Cg_exo -43.05 134.15 5.81 Favored 'Trans proline' 0 C--N 1.351 0.706 1 C-N-CA 126.445 4.763 . . . . 10.0 114.171 171.691 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 58.2 p -61.57 -36.5 80.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.558 1.318 . . . . 10.0 114.558 -174.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.58 -38.49 91.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.852 0.861 . . . . 10.0 112.4 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.34 -46.94 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 123.476 0.711 . . . . 10.0 109.867 169.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 20.9 ttt -57.45 -48.78 78.24 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.632 0.651 . . . . 10.0 112.426 -173.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.02 -43.05 86.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.247 0.619 . . . . 10.0 112.397 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.47 -46.6 89.35 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.911 0.885 . . . . 10.0 111.84 171.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.307 -0.871 . . . . 10.0 112.274 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.27 -43.09 71.21 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.527 1.512 . . . . 10.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.93 -27.38 67.44 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -175.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.11 -47.71 60.63 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.54 1.681 . . . . 10.0 115.54 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 117.98 2.585 . . . . 10.0 117.98 -169.561 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.0 tptm . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 112.189 0.441 . . . . 10.0 112.189 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.48 -46.66 83.47 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.982 0.913 . . . . 10.0 112.675 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.54 -43.49 93.47 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.419 1.088 . . . . 10.0 111.874 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.34 -45.06 77.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.601 0.76 . . . . 10.0 111.828 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 51.0 tp -72.99 -28.04 62.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.669 1.587 . . . . 10.0 113.785 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.49 -45.28 66.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.832 1.253 . . . . 10.0 112.843 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.72 -56.15 17.86 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.852 0.861 . . . . 10.0 111.377 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.16 -25.4 65.5 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 70.2 m -65.6 -19.73 66.03 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.75 1.389 . . . . 10.0 114.75 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 49.8 m -54.75 -42.35 71.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -177.116 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 N-CA-C 114.721 0.648 . . . . 10.0 114.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -62.37 -15.58 49.43 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.795 1.238 . . . . 10.0 114.177 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -57.88 -26.41 62.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.999 1.72 . . . . 10.0 112.568 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.26 -22.23 64.64 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.101 1.36 . . . . 10.0 113.958 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -81.66 -2.29 49.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 90.5 t -117.57 151.63 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.304 1.441 . . . . 10.0 111.5 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.0 p -130.84 158.64 39.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.909 1.684 . . . . 10.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.05 -31.16 68.61 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.619 -0.676 . . . . 10.0 112.582 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.2 -41.55 94.42 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.508 -0.745 . . . . 10.0 112.342 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.75 -52.6 62.58 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 119.186 -0.435 . . . . 10.0 110.744 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -52.31 -46.61 66.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.721 0.808 . . . . 10.0 112.097 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -50.55 73.51 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.542 1.137 . . . . 10.0 112.555 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -67.15 -41.14 86.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.013 0.525 . . . . 10.0 111.654 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.07 -40.43 96.24 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.228 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.9 t -58.7 -49.38 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.056 1.298 . . . . 10.0 111.259 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -59.41 -41.24 89.0 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.883 0.765 . . . . 10.0 112.251 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -70.1 -30.08 67.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.1 0.96 . . . . 10.0 113.279 176.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' B' ' 657' ' ' ILE . 2.7 tp -62.69 -52.87 61.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.062 0.945 . . . . 10.0 109.059 169.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.03 -49.66 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.317 1.447 . . . . 10.0 112.82 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -63.75 -32.11 73.5 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -175.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.469 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -83.5 -24.25 31.8 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.477 1.035 . . . . 10.0 112.849 176.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.58 -51.47 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 123.645 0.778 . . . . 10.0 109.789 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -144.83 114.63 5.07 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.688 0.795 . . . . 10.0 110.364 171.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -57.51 -11.09 7.97 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.375 3.383 . . . . 10.0 117.024 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 77.11 148.07 0.12 Allowed Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 127.986 2.514 . . . . 10.0 112.265 -172.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.45 -41.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.001 2.468 . . . . 10.0 112.144 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -157.18 154.7 26.6 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 128.694 2.798 . . . . 10.0 108.558 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.82 -18.96 31.63 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.731 2.288 . . . . 10.0 113.992 -170.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.98 70.16 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.509 -0.744 . . . . 10.0 112.886 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.84 75.13 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.476 -0.765 . . . . 10.0 112.681 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.24 -18.79 17.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.444 1.498 . . . . 10.0 114.322 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -119.01 17.01 13.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.035 1.734 . . . . 10.0 113.702 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.0 143.28 32.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.214 1.406 . . . . 10.0 111.053 174.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -48.19 -37.12 15.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.225 1.565 . . . . 10.0 115.225 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -41.28 75.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.678 1.191 . . . . 10.0 112.093 176.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.1 tpt -84.67 -32.19 23.75 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.304 0.642 . . . . 10.0 112.363 176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.36 -32.95 69.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.821 1.191 . . . . 10.0 113.142 171.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -64.82 -42.38 95.02 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.547 -0.72 . . . . 10.0 112.446 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.12 -44.75 87.7 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.456 0.703 . . . . 10.0 111.611 173.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 26.6 t -55.82 -44.8 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.774 1.63 . . . . 10.0 112.094 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.15 92.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.374 1.07 . . . . 10.0 112.366 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.535 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.8 OUTLIER -60.24 -45.4 93.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.972 0.909 . . . . 10.0 111.93 170.283 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.49 95.16 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.174 -0.954 . . . . 10.0 111.892 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.07 -43.03 99.51 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 119.199 0.909 . . . . 10.0 112.446 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.16 -46.88 88.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.429 1.092 . . . . 10.0 111.988 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.41 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 10.0 110.958 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -56.44 -44.47 80.5 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.926 0.89 . . . . 10.0 112.362 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.14 -31.81 80.4 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.004 0.812 . . . . 10.0 114.083 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.28 -37.16 61.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.558 1.179 . . . . 10.0 111.635 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.3 mmt -68.83 -39.63 79.89 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.156 0.982 . . . . 10.0 111.184 174.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -59.4 -48.76 80.39 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.271 1.429 . . . . 10.0 112.531 171.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.48 -28.47 69.23 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.4 m -79.98 -30.36 39.72 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.73 136.85 40.33 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.609 1.337 . . . . 10.0 114.609 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.29 -23.33 62.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.674 1.589 . . . . 10.0 113.739 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.8 p -154.46 166.16 34.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.837 1.255 . . . . 10.0 112.907 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -40.52 66.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.338 1.455 . . . . 10.0 112.846 171.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -43.18 70.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.44 0.696 . . . . 10.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.91 -35.93 81.97 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.725 -0.609 . . . . 10.0 112.062 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -59.02 -56.85 16.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.896 1.278 . . . . 10.0 112.035 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.3 -44.98 65.36 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -59.7 -44.53 93.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.62 0.646 . . . . 10.0 111.839 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.45 -44.62 95.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.404 1.082 . . . . 10.0 112.594 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 40.9 mt -59.65 -54.78 42.44 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.721 0.691 . . . . 10.0 111.334 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.8 76.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.083 0.953 . . . . 10.0 112.918 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.14 -44.86 82.98 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.182 -0.949 . . . . 10.0 112.32 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 656' ' ' LYS . . . . . 0.412 ' HG2' HG21 ' C' ' 844' ' ' ILE . 12.3 mptt -73.69 -27.94 61.48 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.142 0.883 . . . . 10.0 112.147 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.6 mm -61.85 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.14 0.976 . . . . 10.0 110.122 168.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -56.88 -49.46 75.46 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.998 0.919 . . . . 10.0 111.138 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -52.41 -54.75 28.0 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.693 1.133 . . . . 10.0 112.935 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 66.3 mt -56.17 -43.73 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.019 0.928 . . . . 10.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -74.81 -48.85 23.1 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.897 -0.502 . . . . 10.0 112.259 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -61.77 -30.22 70.65 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.35 1.86 . . . . 10.0 113.1 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.28 -53.74 10.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.491 0.716 . . . . 10.0 111.608 171.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.41 -36.76 84.81 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.78 1.03 . . . . 10.0 113.78 -175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.21 -10.38 10.5 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.725 1.38 . . . . 10.0 114.725 173.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -109.47 -45.1 3.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.798 1.239 . . . . 10.0 111.813 172.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.05 -6.49 6.45 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.984 1.476 . . . . 10.0 114.984 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 N--CA 1.483 1.188 0 C-N-CA 126.152 1.781 . . . . 10.0 113.341 171.188 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 844' ' ' ILE . . . . . 0.412 HG21 ' HG2' ' B' ' 656' ' ' LYS . 22.6 mt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.682 0.277 . . . . 10.0 111.705 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.6 tp -130.92 78.95 72.59 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 127.288 2.235 . . . . 10.0 107.94 169.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.535 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 46.7 Cg_exo -45.31 137.0 11.01 Favored 'Trans proline' 0 C--N 1.353 0.782 1 C-N-CA 126.135 4.557 . . . . 10.0 114.256 177.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -36.63 65.85 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -172.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.54 -37.3 84.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.861 0.865 . . . . 10.0 113.259 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.14 -41.95 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.036 0.535 . . . . 10.0 109.828 170.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.44 -48.66 68.61 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.471 0.708 . . . . 10.0 111.884 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.86 -40.34 69.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.041 0.937 . . . . 10.0 113.25 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -62.53 -52.53 63.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.741 0.817 . . . . 10.0 111.033 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.9 t -55.2 -43.81 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.012 0.823 . . . . 10.0 111.847 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.0 -41.67 95.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.493 0.717 . . . . 10.0 112.747 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -69.29 -39.24 78.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.009 0.924 . . . . 10.0 112.615 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.65 -51.64 53.97 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 62.1 p . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 116.249 1.944 . . . . 10.0 116.249 -169.595 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.8 tptt . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 119.35 -0.357 . . . . 10.0 111.601 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.92 -47.41 77.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.32 1.448 . . . . 10.0 112.724 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.11 -43.04 99.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.441 1.096 . . . . 10.0 112.061 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.48 -46.39 76.49 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.398 0.679 . . . . 10.0 111.134 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.55 -24.7 67.92 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.697 2.399 . . . . 10.0 113.838 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.83 -35.28 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.66 -25.63 53.94 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.891 0.768 . . . . 10.0 112.77 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -79.4 -35.52 40.56 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.946 -1.096 . . . . 10.0 110.892 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 56.5 m -52.31 -30.66 29.35 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.106 1.762 . . . . 10.0 112.651 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 305' ' ' THR . . . . . 0.402 HG23 ' CD2' ' B' ' 602' ' ' HIS . 53.9 m -45.97 -40.66 10.69 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.019 1.728 . . . . 10.0 113.806 171.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 CA--C 1.541 0.629 0 O-C-N 121.167 -0.958 . . . . 10.0 113.167 179.378 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.155 0 N-CA-C 115.486 0.954 . . . . 10.0 115.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -60.54 -22.19 63.37 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.239 1.2 . . . . 10.0 114.239 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -53.44 -31.5 45.67 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.519 1.928 . . . . 10.0 113.771 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.71 -12.25 60.12 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.933 1.293 . . . . 10.0 114.086 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -95.14 9.95 37.71 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.137 1.375 . . . . 10.0 113.841 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.79 107.32 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.048 1.339 . . . . 10.0 109.419 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.9 p -71.14 159.12 35.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.849 0.86 . . . . 10.0 111.992 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.1 -32.84 72.51 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.662 -0.649 . . . . 10.0 112.077 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.65 -46.0 84.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.032 0.933 . . . . 10.0 111.886 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.03 -47.39 86.06 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.343 0.657 . . . . 10.0 110.821 174.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -54.71 -51.31 65.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.73 1.212 . . . . 10.0 112.62 175.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.6 m -59.12 -50.68 73.14 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.279 1.032 . . . . 10.0 112.01 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 602' ' ' HIS . . . . . 0.402 ' CD2' HG23 ' A' ' 305' ' ' THR . 5.4 t60 -69.3 -43.32 74.03 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.813 -0.613 . . . . 10.0 111.558 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.65 -40.89 96.5 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.803 1.183 . . . . 10.0 112.811 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.61 -50.12 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 119.457 1.026 . . . . 10.0 110.778 171.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.34 -42.03 99.06 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.856 0.753 . . . . 10.0 112.836 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -58.26 -44.37 88.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.747 1.219 . . . . 10.0 111.432 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -49.58 76.57 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.519 0.728 . . . . 10.0 111.318 175.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.67 -45.68 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.935 0.894 . . . . 10.0 112.067 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -68.05 -38.44 82.48 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -69.36 -25.03 63.98 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.128 0.876 . . . . 10.0 113.293 174.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mt -73.04 -52.51 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.77 0.714 . . . . 10.0 109.388 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.38 106.74 5.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.351 1.06 . . . . 10.0 111.646 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.54 93.48 0.25 Allowed 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 124.059 3.173 . . . . 10.0 110.522 169.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 2.8 p -56.24 139.11 73.4 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 10.0 113.315 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.58 -29.53 19.84 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.902 2.401 . . . . 10.0 113.547 -172.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.77 167.78 13.79 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.924 1.69 . . . . 10.0 111.744 -173.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.12 -17.22 31.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.558 2.172 . . . . 10.0 114.744 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.73 -35.91 57.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.269 1.395 . . . . 10.0 111.81 169.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.79 69.52 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.754 1.02 . . . . 10.0 113.754 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 61.5 mt -51.62 -25.24 6.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.989 1.716 . . . . 10.0 114.373 171.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -125.57 17.77 8.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.891 1.676 . . . . 10.0 113.529 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.33 146.95 37.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.329 0.652 . . . . 10.0 110.622 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -29.33 20.37 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -90.34 -28.04 18.99 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.134 0.974 . . . . 10.0 112.923 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.49 -39.58 88.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.295 0.952 . . . . 10.0 111.923 171.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -56.9 -39.06 73.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 10.0 112.462 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.27 -39.8 82.05 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.577 -0.702 . . . . 10.0 111.902 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.85 -47.64 84.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.632 0.773 . . . . 10.0 111.543 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 9.9 t -54.72 -43.66 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.847 1.659 . . . . 10.0 111.922 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.14 74.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.607 1.163 . . . . 10.0 112.908 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.486 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.24 -44.37 97.36 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.532 -0.73 . . . . 10.0 111.121 173.522 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.01 89.39 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.755 0.822 . . . . 10.0 111.642 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.6 -43.81 93.6 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.904 0.774 . . . . 10.0 112.801 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.21 -50.9 69.95 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.562 1.145 . . . . 10.0 112.27 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.73 -32.03 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 118.865 -0.588 . . . . 10.0 112.101 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.54 -42.6 71.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.89 1.223 . . . . 10.0 111.332 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -69.95 -31.57 69.77 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.398 0.999 . . . . 10.0 114.481 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.33 -41.38 69.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.714 1.257 . . . . 10.0 111.571 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.4 mmt -66.84 -40.14 87.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.666 1.186 . . . . 10.0 111.56 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.17 -49.3 78.38 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.22 1.408 . . . . 10.0 112.606 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.5 -30.66 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.375 -0.828 . . . . 10.0 112.834 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.0 m -81.76 -17.36 47.98 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 -174.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.31 142.68 27.71 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.071 0.948 . . . . 10.0 113.272 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -89.18 -4.78 58.12 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.615 1.166 . . . . 10.0 113.958 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 53.7 p -151.94 163.39 39.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.13 1.372 . . . . 10.0 112.229 173.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -61.49 -39.96 92.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.099 0.96 . . . . 10.0 112.674 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.33 -42.29 96.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.778 0.831 . . . . 10.0 112.078 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.36 -36.79 83.79 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.593 -0.692 . . . . 10.0 112.249 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -54.88 42.0 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.797 0.839 . . . . 10.0 111.719 172.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -53.63 -44.59 69.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.247 0.476 . . . . 10.0 112.177 171.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.87 -40.94 99.04 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.425 -0.797 . . . . 10.0 112.361 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.52 -42.24 98.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.084 0.954 . . . . 10.0 112.271 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.9 -48.53 81.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.463 0.574 . . . . 10.0 111.754 173.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.15 -28.53 61.36 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.59 -42.32 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.913 -1.117 . . . . 10.0 111.602 170.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -60.36 -33.84 73.01 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.063 0.847 . . . . 10.0 112.105 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' B' ' 610' ' ' ALA . 14.1 mm -68.22 -46.41 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.257 0.935 . . . . 10.0 112.679 173.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -58.47 -48.56 80.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.012 0.824 . . . . 10.0 110.807 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -47.89 -57.98 4.98 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.058 1.743 . . . . 10.0 112.531 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.34 -56.09 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.462 0.705 . . . . 10.0 111.201 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.27 -36.52 69.02 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -66.35 -43.21 86.67 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.822 1.192 . . . . 10.0 112.005 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.51 -41.15 80.37 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.069 0.548 . . . . 10.0 111.893 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.59 -44.64 85.99 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.43 -37.29 72.55 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.543 1.065 . . . . 10.0 112.349 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.32 -42.92 87.81 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.929 -1.107 . . . . 10.0 112.704 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -74.23 -8.22 55.43 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.894 1.278 . . . . 10.0 113.874 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 N--CA 1.483 1.187 0 C-N-CA 125.723 1.609 . . . . 10.0 113.152 179.688 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 11.2 mt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.62 115.38 21.78 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.402 1.481 . . . . 10.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.486 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 72.4 Cg_exo -51.79 135.8 50.24 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.657 3.571 . . . . 10.0 112.22 172.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.0 p -63.62 -36.7 84.69 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.745 1.017 . . . . 10.0 113.745 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -70.53 -25.34 63.08 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.671 1.188 . . . . 10.0 113.299 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 47.3 mm -80.0 -41.27 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.132 0.973 . . . . 10.0 110.976 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.5 ttt -52.5 -45.92 66.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.775 0.83 . . . . 10.0 111.343 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.16 -45.16 64.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.332 1.053 . . . . 10.0 113.324 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.15 -46.86 79.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.638 0.775 . . . . 10.0 111.513 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.2 -39.18 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.777 0.831 . . . . 10.0 111.425 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.43 -44.73 82.06 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.288 0.949 . . . . 10.0 112.222 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.02 -27.46 57.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.302 1.223 . . . . 10.0 114.302 -173.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.46 -41.47 63.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 115.206 1.558 . . . . 10.0 115.206 -173.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 115.819 1.785 . . . . 10.0 115.819 -171.499 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.76 -52.33 62.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.444 1.498 . . . . 10.0 112.609 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.94 -38.46 82.88 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.76 -0.587 . . . . 10.0 112.277 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.45 -43.27 94.79 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.453 -0.78 . . . . 10.0 111.743 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.8 -32.08 73.61 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.361 1.464 . . . . 10.0 113.362 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.48 -34.75 69.36 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.848 0.859 . . . . 10.0 113.025 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.13 -55.53 5.04 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.574 0.75 . . . . 10.0 111.011 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.6 mtm -56.72 -32.64 65.72 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -171.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 45.4 m -68.6 -20.02 64.48 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -57.69 -33.61 68.55 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.155 1.539 . . . . 10.0 115.155 -169.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.475 0.813 0 O-C-N 120.298 -1.502 . . . . 10.0 114.499 175.538 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.597 0 N-CA-C 114.497 0.559 . . . . 10.0 114.497 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -56.19 -20.35 17.61 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.98 -22.32 48.74 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.725 1.21 . . . . 10.0 112.97 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -20.35 55.53 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.007 1.323 . . . . 10.0 114.148 173.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -91.09 4.23 52.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 10.0 113.691 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 17.4 t -113.94 153.06 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.679 1.591 . . . . 10.0 111.031 -173.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 63.8 p -132.5 157.3 44.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.703 1.601 . . . . 10.0 110.511 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -59.49 -34.88 73.14 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.456 -0.777 . . . . 10.0 112.142 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -61.88 -40.19 94.56 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.582 -0.699 . . . . 10.0 112.225 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.79 -43.58 88.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.59 -0.719 . . . . 10.0 111.659 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -55.17 -50.04 70.33 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.462 1.028 . . . . 10.0 111.83 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.4 m -56.85 -49.12 76.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.461 1.105 . . . . 10.0 112.639 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -70.43 -37.19 74.36 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.767 -0.635 . . . . 10.0 111.84 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.52 -35.91 82.49 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.742 1.61 . . . . 10.0 112.255 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.4 t -59.38 -48.05 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.037 1.29 . . . . 10.0 109.86 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.15 -47.76 77.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.629 0.772 . . . . 10.0 112.57 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.1 87.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.878 1.271 . . . . 10.0 111.782 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.571 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.0 OUTLIER -56.38 -59.04 5.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.417 1.087 . . . . 10.0 109.345 169.6 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.02 -44.28 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.927 1.291 . . . . 10.0 112.976 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -58.65 -41.12 85.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.8 0.84 . . . . 10.0 112.936 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.48 -40.26 43.63 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.318 0.647 . . . . 10.0 112.462 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.14 -46.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.943 1.297 . . . . 10.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -141.36 101.43 6.16 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 123.635 0.774 . . . . 10.0 110.25 170.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.47 95.96 0.72 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.077 2.518 . . . . 10.0 109.027 169.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.7 p -54.18 148.69 21.64 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.983 1.713 . . . . 10.0 114.871 -171.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.66 -26.31 19.72 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.302 2.668 . . . . 10.0 113.236 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -161.36 150.21 13.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 126.811 2.044 . . . . 10.0 109.218 -170.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -67.48 -13.71 40.02 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.263 1.975 . . . . 10.0 114.291 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.87 -30.4 61.31 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.647 1.112 . . . . 10.0 111.957 169.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.69 67.85 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.173 -0.954 . . . . 10.0 112.805 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.0 -23.75 48.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.279 1.432 . . . . 10.0 113.803 170.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -104.18 -7.24 20.28 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.069 1.347 . . . . 10.0 114.31 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.25 150.07 49.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.736 0.814 . . . . 10.0 112.147 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -63.39 -27.3 69.21 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.739 -1.225 . . . . 10.0 112.451 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -67.47 -35.44 79.18 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.164 1.385 . . . . 10.0 111.829 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.1 tpt -74.05 -37.09 64.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 10.0 111.732 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.27 -36.86 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.815 -1.178 . . . . 10.0 113.231 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.26 -0.9 . . . . 10.0 111.941 170.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -38.41 86.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.761 0.825 . . . . 10.0 112.642 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -43.8 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.948 1.699 . . . . 10.0 111.586 171.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.65 88.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.043 0.937 . . . . 10.0 112.628 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -57.9 -45.48 86.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.496 1.118 . . . . 10.0 111.914 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.73 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.181 -0.949 . . . . 10.0 112.438 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.83 -44.27 94.15 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.317 0.962 . . . . 10.0 112.353 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -61.1 -46.07 92.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.185 0.994 . . . . 10.0 112.103 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.93 -52.36 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.4 0.546 . . . . 10.0 110.761 174.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -55.51 -45.16 77.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.969 0.804 . . . . 10.0 112.491 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.54 87.52 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.914 0.769 . . . . 10.0 114.178 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.65 -36.49 57.32 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.742 1.271 . . . . 10.0 111.939 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 32.9 mmt -68.35 -40.61 81.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.759 0.824 . . . . 10.0 110.814 175.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.41 -46.75 88.87 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.517 1.527 . . . . 10.0 112.955 172.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.58 -28.2 69.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.895 0.878 . . . . 10.0 112.728 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 67.7 m -87.34 -36.7 17.68 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.168 1.173 . . . . 10.0 114.168 -175.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.26 19.41 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.907 1.818 . . . . 10.0 115.907 -169.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -69.45 -22.81 63.62 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.066 1.746 . . . . 10.0 113.704 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 72.8 p -148.4 165.47 31.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.217 1.407 . . . . 10.0 112.998 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -57.14 -42.38 80.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.068 1.347 . . . . 10.0 112.364 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -43.75 87.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.117 0.967 . . . . 10.0 111.458 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.05 -34.56 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.841 -0.537 . . . . 10.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.1 -60.42 3.86 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.911 1.284 . . . . 10.0 112.096 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -51.32 -44.37 61.95 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 169.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.42 -42.6 99.56 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.023 0.829 . . . . 10.0 112.724 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.03 -44.43 89.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.613 1.165 . . . . 10.0 112.304 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.97 -53.94 50.84 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.2 0.6 . . . . 10.0 110.693 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -32.7 74.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.831 1.252 . . . . 10.0 113.353 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.22 -49.0 66.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.347 1.459 . . . . 10.0 112.226 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -63.16 -40.17 96.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.475 0.71 . . . . 10.0 110.888 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.5 mm -56.01 -38.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 124.575 1.15 . . . . 10.0 111.228 169.303 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -42.9 64.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.655 1.116 . . . . 10.0 112.697 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -50.54 -57.6 7.75 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.627 0.649 . . . . 10.0 109.381 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.07 -53.52 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 O-C-N 123.748 0.655 . . . . 10.0 111.431 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.55 -50.11 75.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.223 -0.923 . . . . 10.0 113.114 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.11 -52.21 37.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.145 0.978 . . . . 10.0 112.642 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.54 -31.68 68.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.113 . . . . 10.0 112.828 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.23 -61.6 1.84 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.512 0.725 . . . . 10.0 110.589 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -50.35 74.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.347 1.059 . . . . 10.0 113.752 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.28 -8.68 57.06 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.828 0.851 . . . . 10.0 113.241 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -102.61 -28.15 12.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.188 1.395 . . . . 10.0 112.573 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 C-N-CA 124.246 1.018 . . . . 10.0 110.912 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.4 tp -124.99 82.18 61.72 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.642 1.977 . . . . 10.0 110.444 -170.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.07 143.05 33.04 Favored 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 125.725 4.283 . . . . 10.0 114.689 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 15.8 m -56.0 -42.2 76.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.058 1.503 . . . . 10.0 115.058 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.45 -39.58 81.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.307 0.643 . . . . 10.0 112.652 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -67.24 -45.79 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.192 0.997 . . . . 10.0 110.679 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 60.8 ttp -58.65 -52.48 65.52 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.482 1.113 . . . . 10.0 111.979 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.85 -41.36 74.19 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.792 0.837 . . . . 10.0 113.077 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -61.56 -44.56 96.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.242 0.617 . . . . 10.0 112.114 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.92 -42.24 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.544 -0.722 . . . . 10.0 111.519 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.06 -37.43 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.948 1.249 . . . . 10.0 112.556 177.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.07 -47.42 74.35 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.908 1.283 . . . . 10.0 112.093 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -80.06 -40.7 27.13 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.143 1.534 . . . . 10.0 115.143 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 117.76 2.504 . . . . 10.0 117.76 -173.759 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 64.3 tttp . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 119.315 -0.374 . . . . 10.0 111.728 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.74 -56.93 14.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.664 1.186 . . . . 10.0 112.263 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.71 -42.56 88.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.768 1.227 . . . . 10.0 111.978 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -64.51 -39.74 94.33 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.159 0.583 . . . . 10.0 111.808 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.91 -25.47 62.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.872 1.669 . . . . 10.0 113.981 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 25.1 mt -51.89 -37.0 50.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.863 1.211 . . . . 10.0 113.625 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.57 -58.18 3.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.317 1.047 . . . . 10.0 112.32 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 70.5 mtm -60.68 -26.64 67.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.655 1.354 . . . . 10.0 114.655 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 90.1 p -68.83 -19.9 64.28 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 174.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.7 m -60.01 -29.72 68.67 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 . . . . . 0 N--CA 1.475 0.776 0 O-C-N 120.391 -1.443 . . . . 10.0 114.197 173.087 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 N-CA-C 116.283 1.273 . . . . 10.0 116.283 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -68.49 -6.43 24.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.963 1.382 . . . . 10.0 114.248 172.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -57.07 -21.78 34.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.896 2.078 . . . . 10.0 114.558 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.41 -24.16 53.79 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.361 1.464 . . . . 10.0 114.077 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.43 -4.55 40.19 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 74.8 t -133.06 157.99 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.562 1.945 . . . . 10.0 110.409 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 12.2 t -147.11 159.48 43.56 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.992 1.317 . . . . 10.0 110.668 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -55.33 -39.3 69.81 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.502 -0.749 . . . . 10.0 112.481 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.16 -28.04 69.13 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.55 -52.19 28.6 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.342 0.657 . . . . 10.0 109.708 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.75 -38.35 81.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.675 1.19 . . . . 10.0 113.561 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.9 m -48.08 -45.32 32.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.709 0.804 . . . . 10.0 112.838 170.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -75.53 -41.36 55.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.472 0.709 . . . . 10.0 111.622 176.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.45 -34.57 77.06 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.155 1.343 . . . . 10.0 112.923 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.88 -48.82 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.188 0.995 . . . . 10.0 109.971 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -60.85 -38.25 84.87 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.905 0.775 . . . . 10.0 112.89 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.26 -46.04 91.18 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.976 1.31 . . . . 10.0 111.663 174.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.37 -53.38 58.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.536 1.134 . . . . 10.0 110.3 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.75 -40.57 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.863 1.265 . . . . 10.0 113.244 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.71 -36.13 83.3 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.022 1.283 . . . . 10.0 112.892 177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.03 73.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.197 0.453 . . . . 10.0 112.158 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 29.3 mt -69.55 -46.17 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.613 0.765 . . . . 10.0 111.452 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 612' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 0.6 OUTLIER -142.9 104.56 5.26 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.189 0.995 . . . . 10.0 110.618 171.156 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.47 92.57 0.13 Allowed 'Trans proline' 0 CA--C 1.548 1.197 0 C-N-CA 124.303 3.335 . . . . 10.0 110.676 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.8 t -51.07 143.29 16.48 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 126.297 1.839 . . . . 10.0 114.858 -171.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.438 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 83.4 Cg_endo -80.68 -25.96 4.09 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.216 2.611 . . . . 10.0 113.011 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -164.98 147.76 7.02 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.106 1.762 . . . . 10.0 110.333 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.33 -12.9 36.31 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.363 2.042 . . . . 10.0 114.322 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.61 -25.06 36.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.931 1.241 . . . . 10.0 112.201 169.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.51 -27.62 67.14 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.924 -1.11 . . . . 10.0 112.338 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.01 -19.47 12.77 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.396 1.478 . . . . 10.0 114.315 171.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -119.79 16.18 12.67 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.393 1.477 . . . . 10.0 114.022 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.18 148.72 43.69 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.628 -0.67 . . . . 10.0 110.95 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -31.59 64.13 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.703 1.201 . . . . 10.0 114.047 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -85.12 -29.32 24.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.69 -34.79 79.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.0 0.818 . . . . 10.0 111.038 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.13 -38.1 72.97 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.731 1.15 . . . . 10.0 113.086 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -66.97 -41.58 86.61 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.604 -0.685 . . . . 10.0 111.527 174.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.92 -45.79 92.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.663 1.185 . . . . 10.0 111.941 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 8.0 t -57.11 -46.43 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.463 1.505 . . . . 10.0 111.699 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.8 89.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.408 1.083 . . . . 10.0 112.613 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 5.4 t80 -58.97 -45.88 89.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.854 1.262 . . . . 10.0 111.886 171.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.9 89.18 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.959 0.904 . . . . 10.0 112.351 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.34 -44.03 97.45 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.093 0.861 . . . . 10.0 112.4 170.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -46.99 88.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.14 1.376 . . . . 10.0 111.738 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.69 -52.02 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.895 0.878 . . . . 10.0 110.689 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -54.75 -46.8 74.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.349 0.977 . . . . 10.0 111.944 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.99 -27.28 72.04 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.032 0.825 . . . . 10.0 114.418 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -82.09 -39.62 23.12 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.724 1.262 . . . . 10.0 111.348 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 16.9 mmt -65.36 -38.7 90.86 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.909 0.884 . . . . 10.0 111.331 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.34 -25.15 65.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.144 1.778 . . . . 10.0 113.723 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -99.21 -5.1 30.56 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.649 1.18 . . . . 10.0 113.046 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.3 m -107.58 11.46 28.62 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.276 1.431 . . . . 10.0 114.156 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.38 149.75 51.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.774 1.229 . . . . 10.0 113.038 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -5.55 45.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.021 1.328 . . . . 10.0 113.534 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 77.5 p -152.16 162.71 40.72 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.502 1.521 . . . . 10.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -56.0 -42.0 75.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.551 1.14 . . . . 10.0 111.996 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -43.4 95.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.344 1.058 . . . . 10.0 112.007 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.25 -38.57 85.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.618 -0.676 . . . . 10.0 112.071 173.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.3 -51.27 70.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.133 0.973 . . . . 10.0 112.315 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.31 75.62 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 170.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.79 -39.05 87.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.572 0.624 . . . . 10.0 112.388 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.94 -44.14 85.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.635 0.774 . . . . 10.0 112.52 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.33 -46.86 79.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.223 0.919 . . . . 10.0 111.045 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.39 73.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.352 1.061 . . . . 10.0 113.29 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.44 -42.13 99.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.462 -0.774 . . . . 10.0 111.492 171.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -35.25 72.69 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.503 175.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.15 -52.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.735 1.152 . . . . 10.0 109.071 168.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -56.37 -50.88 70.26 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.872 0.869 . . . . 10.0 111.739 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.0 tmpt? -56.01 -51.56 67.33 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.744 0.818 . . . . 10.0 112.086 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.99 -37.78 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.09 0.556 . . . . 10.0 110.491 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -65.18 -48.99 71.53 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.228 -0.92 . . . . 10.0 111.431 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 662' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.2 mmpt? -64.92 -36.07 83.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.646 1.578 . . . . 10.0 112.564 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.44 -52.51 64.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 10.0 111.886 170.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.77 -41.26 86.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.826 1.194 . . . . 10.0 112.212 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -65.73 -0.46 2.16 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -125.67 -35.07 2.57 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 10.0 112.718 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.85 -13.48 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.53 1.532 . . . . 10.0 114.135 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 N--CA 1.483 1.204 0 C-N-CA 125.541 1.537 . . . . 10.0 113.448 171.548 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.3 mm . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 115.204 1.557 . . . . 10.0 115.204 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 24.8 tp -110.72 99.7 42.83 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.584 1.954 . . . . 10.0 111.953 -169.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 93.2 Cg_exo -51.26 148.53 18.52 Favored 'Trans proline' 0 C--N 1.351 0.669 1 C-N-CA 125.785 4.323 . . . . 10.0 114.815 171.647 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -58.83 -36.26 74.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.4 -37.72 87.82 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.991 0.814 . . . . 10.0 112.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.4 mp -77.18 -44.8 30.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.708 0.803 . . . . 10.0 109.393 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 63.1 ttp -53.92 -51.08 64.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.732 0.696 . . . . 10.0 112.071 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.04 -43.11 66.37 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.084 1.354 . . . . 10.0 112.895 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.11 -46.38 67.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.791 0.837 . . . . 10.0 112.145 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.63 -36.73 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.71 1.204 . . . . 10.0 112.207 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.86 -46.17 79.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.387 0.994 . . . . 10.0 111.84 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -78.89 -45.29 20.92 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -170.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.88 -47.97 70.21 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 115.999 1.852 . . . . 10.0 115.999 -171.735 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 55.4 tttp . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.96 -52.82 64.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.963 1.305 . . . . 10.0 112.15 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.46 -34.76 79.04 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.613 0.642 . . . . 10.0 112.151 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.66 -43.22 97.36 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.267 -0.896 . . . . 10.0 112.363 171.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.46 -28.56 69.3 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.772 1.229 . . . . 10.0 112.812 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.96 -44.73 70.98 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.7 1.136 . . . . 10.0 112.054 173.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.88 -53.31 21.96 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.801 0.84 . . . . 10.0 111.728 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 19.4 ttp -64.32 -25.24 67.95 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -169.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.8 t -63.47 -19.78 65.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.016 1.727 . . . . 10.0 114.417 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 9.4 m -53.91 -33.4 56.54 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.449 -1.407 . . . . 10.0 114.117 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 CA--C 1.547 0.832 0 CA-C-N 119.351 0.978 . . . . 10.0 113.124 174.562 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.234 0 N-CA-C 116.116 1.206 . . . . 10.0 116.116 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -66.69 -13.74 61.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.359 1.615 . . . . 10.0 115.359 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -54.0 -29.31 42.76 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.898 1.679 . . . . 10.0 114.248 -169.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.02 -18.92 38.94 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.248 1.573 . . . . 10.0 115.248 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.8 -9.6 58.71 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.262 1.208 . . . . 10.0 114.262 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.01 152.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.236 1.414 . . . . 10.0 111.197 -174.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.4 t -150.38 161.75 41.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.811 1.645 . . . . 10.0 111.095 -177.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -59.94 -29.86 68.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.82 -34.97 78.98 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.273 0.942 . . . . 10.0 112.486 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.53 -54.95 15.61 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.105 0.962 . . . . 10.0 110.093 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.1 -37.29 79.54 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.909 1.077 . . . . 10.0 113.909 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 75.3 m -49.48 -46.4 48.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.935 0.894 . . . . 10.0 112.486 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.54 -35.72 29.96 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.618 0.767 . . . . 10.0 112.604 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.43 -47.55 85.21 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.778 1.172 . . . . 10.0 111.701 176.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.15 -46.16 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.664 1.12 . . . . 10.0 110.713 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.99 -52.29 51.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.277 0.631 . . . . 10.0 111.939 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -72.44 -32.09 66.0 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 10.0 113.258 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.401 ' HA ' HD11 ' B' ' 657' ' ' ILE . 0.8 OUTLIER -58.97 -52.88 63.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.527 1.531 . . . . 10.0 108.933 169.682 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.83 -47.29 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.693 1.597 . . . . 10.0 112.737 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.78 -42.46 84.16 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.991 0.917 . . . . 10.0 112.452 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.83 62.52 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.66 -43.35 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.861 0.864 . . . . 10.0 111.573 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -141.44 96.01 7.11 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.079 0.552 . . . . 10.0 111.431 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -62.98 92.55 0.14 Allowed 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 124.309 3.339 . . . . 10.0 109.736 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.7 p -56.68 148.9 44.36 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 125.41 1.484 . . . . 10.0 114.318 -171.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.75 -29.18 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.991 2.461 . . . . 10.0 113.22 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -157.59 162.36 27.41 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 126.193 1.797 . . . . 10.0 111.316 -174.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.32 -5.56 17.35 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.9 2.4 . . . . 10.0 115.436 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.05 -31.03 15.72 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.947 1.249 . . . . 10.0 111.352 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.61 64.9 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.292 0.951 . . . . 10.0 113.125 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 27.1 mt -53.08 -28.43 25.07 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.492 1.517 . . . . 10.0 114.092 169.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.91 1.64 24.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.077 1.751 . . . . 10.0 113.091 -176.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -60.42 148.82 36.03 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.02 0.827 . . . . 10.0 112.47 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 623' ' ' ARG . . . . . 0.525 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 0.0 OUTLIER -47.67 -43.4 26.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.173 1.789 . . . . 10.0 113.362 178.097 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -79.29 -29.32 42.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.461 1.504 . . . . 10.0 112.108 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -67.62 -36.71 81.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.445 0.566 . . . . 10.0 111.562 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.38 -34.78 78.47 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.064 -1.022 . . . . 10.0 113.032 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -66.57 -40.75 89.15 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.27 -0.894 . . . . 10.0 111.956 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.6 tt -62.03 -44.78 95.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.164 0.986 . . . . 10.0 111.658 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.8 t -54.89 -45.54 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.804 1.642 . . . . 10.0 112.242 170.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.36 86.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.164 -0.96 . . . . 10.0 112.819 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.582 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.71 -44.33 96.71 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.698 0.799 . . . . 10.0 111.407 170.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.44 97.77 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.602 -0.686 . . . . 10.0 112.26 173.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.23 -45.28 95.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.15 0.886 . . . . 10.0 112.713 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -47.73 84.61 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.858 1.263 . . . . 10.0 111.95 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.73 -36.61 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.551 -0.738 . . . . 10.0 112.321 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.02 -46.09 75.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.497 1.499 . . . . 10.0 112.169 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -67.1 -28.67 73.84 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.491 0.567 . . . . 10.0 114.324 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.18 -36.95 46.8 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.495 1.147 . . . . 10.0 111.801 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -68.67 -35.14 76.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.996 1.319 . . . . 10.0 111.237 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.82 -52.69 62.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.198 1.399 . . . . 10.0 111.958 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.06 -22.48 66.95 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.887 -1.133 . . . . 10.0 114.017 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.2 m -80.55 -4.68 54.9 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.515 1.302 . . . . 10.0 114.515 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -113.45 149.94 33.51 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.502 1.046 . . . . 10.0 113.453 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.57 -0.54 21.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.526 1.531 . . . . 10.0 113.357 175.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.5 p -151.68 160.13 43.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.216 1.406 . . . . 10.0 111.918 171.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.52 74.5 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.48 1.112 . . . . 10.0 112.755 172.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.22 -46.56 83.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.047 0.939 . . . . 10.0 111.917 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.48 -38.73 87.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.299 0.639 . . . . 10.0 112.219 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -57.4 -55.98 27.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 10.0 112.323 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -52.71 -45.79 67.05 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 170.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -62.14 -38.27 88.35 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.606 0.639 . . . . 10.0 112.213 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 55.1 mt -65.82 -44.09 86.63 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.046 0.839 . . . . 10.0 112.764 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 67.7 mt -58.01 -49.65 76.13 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.852 0.751 . . . . 10.0 110.958 171.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.17 67.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.627 1.171 . . . . 10.0 113.686 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.76 -48.35 69.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.95 -1.094 . . . . 10.0 111.629 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.57 -33.44 75.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.815 0.734 . . . . 10.0 112.327 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' B' ' 607' ' ' LEU . 2.2 mm -62.23 -46.78 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.761 1.224 . . . . 10.0 111.307 172.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.56 -42.46 87.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.117 -0.944 . . . . 10.0 110.924 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -50.79 -55.77 15.25 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.952 1.251 . . . . 10.0 111.933 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.69 -48.16 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.952 0.901 . . . . 10.0 111.197 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.58 -53.78 46.39 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.62 0.645 . . . . 10.0 112.148 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.64 -34.94 75.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.713 2.405 . . . . 10.0 113.174 -177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.26 -64.1 0.98 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.426 0.69 . . . . 10.0 111.873 170.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.25 -33.88 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -169.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.91 -12.02 22.35 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -108.95 -56.98 2.21 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.895 1.278 . . . . 10.0 110.907 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.45 -12.69 23.38 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 -174.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 125.041 1.337 . . . . 10.0 113.593 175.332 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.3 tp -132.67 83.8 52.37 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 129.104 2.962 . . . . 10.0 106.694 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 12.5 Cg_exo -39.87 132.92 1.88 Allowed 'Trans proline' 0 C--N 1.35 0.65 1 C-N-CA 126.801 5.001 . . . . 10.0 114.492 177.529 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 49.1 p -52.05 -41.41 62.29 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.264 1.95 . . . . 10.0 116.264 -169.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.42 -34.03 76.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.443 -0.785 . . . . 10.0 112.811 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 2.0 mp -78.88 -41.13 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.7 0.8 . . . . 10.0 109.883 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 44.2 ttm -49.5 -54.22 19.08 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.537 1.135 . . . . 10.0 110.861 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.16 -39.24 66.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 10.0 113.556 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.66 -43.05 97.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.45 0.7 . . . . 10.0 112.1 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.68 -46.3 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.922 0.783 . . . . 10.0 111.598 174.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.27 -31.37 70.16 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.153 0.888 . . . . 10.0 112.927 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -78.62 -42.12 29.72 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.067 1.347 . . . . 10.0 112.744 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -79.98 -42.86 23.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.225 1.195 . . . . 10.0 114.225 -174.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 117.553 2.427 . . . . 10.0 117.553 -172.547 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 119.527 -0.273 . . . . 10.0 111.448 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.25 -47.65 80.84 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.943 1.297 . . . . 10.0 113.031 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.88 -46.53 90.24 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.076 0.853 . . . . 10.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.14 -40.31 85.1 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 121.406 0.622 . . . . 10.0 110.881 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.22 -20.1 63.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.033 2.133 . . . . 10.0 115.283 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.96 -38.71 86.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.938 1.699 . . . . 10.0 112.377 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.42 -33.01 70.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.28 0.632 . . . . 10.0 112.175 169.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -71.8 -36.58 70.33 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 10.0 111.183 -176.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 18.3 t -53.49 -28.4 30.73 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.262 1.425 . . . . 10.0 112.689 172.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 305' ' ' THR . . . . . 0.445 HG23 ' CD2' ' B' ' 602' ' ' HIS . 38.9 m -55.34 -45.8 76.41 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.105 0.962 . . . . 10.0 112.724 172.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.47 0.541 0 O-C-N 121.131 -0.981 . . . . 10.0 111.576 178.428 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.472 0 N-CA-C 114.439 0.536 . . . . 10.0 114.439 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -60.12 -13.64 13.0 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.328 1.603 . . . . 10.0 115.328 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -58.39 -21.73 51.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.292 1.437 . . . . 10.0 112.915 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.79 -21.03 64.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 172.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -87.63 3.66 46.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.792 1.237 . . . . 10.0 113.478 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 40.6 t -112.19 150.43 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.567 1.547 . . . . 10.0 111.673 -169.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 70.4 p -135.09 158.09 45.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.048 1.739 . . . . 10.0 110.8 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.26 -32.73 72.55 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.269 -0.894 . . . . 10.0 112.102 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.29 -43.06 99.5 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.137 0.975 . . . . 10.0 112.13 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.48 -46.49 88.22 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.313 0.645 . . . . 10.0 111.467 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -57.55 -48.96 77.89 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.806 0.73 . . . . 10.0 111.353 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 64.6 m -58.4 -50.12 74.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.036 . . . . 10.0 112.683 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 602' ' ' HIS . . . . . 0.445 ' CD2' HG23 ' A' ' 305' ' ' THR . 6.6 t60 -73.63 -36.71 65.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.876 0.47 . . . . 10.0 111.992 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.7 -40.54 95.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.657 1.117 . . . . 10.0 111.971 172.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.15 -44.23 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.585 1.084 . . . . 10.0 111.035 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.17 -46.69 82.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.132 0.878 . . . . 10.0 112.159 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -60.25 -43.46 96.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.355 1.062 . . . . 10.0 111.842 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -56.39 19.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.559 1.144 . . . . 10.0 110.543 170.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -47.28 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.015 1.326 . . . . 10.0 112.195 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -64.22 -36.92 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.584 0.629 . . . . 10.0 112.641 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.86 66.13 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 27.4 mt -67.7 -54.3 24.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 121.714 -0.616 . . . . 10.0 109.917 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 612' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 1.0 OUTLIER -141.14 102.86 6.16 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.105 0.962 . . . . 10.0 110.048 173.711 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.52 101.54 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.052 2.501 . . . . 10.0 109.4 169.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.2 p -56.05 147.6 44.07 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.453 1.501 . . . . 10.0 114.321 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.34 -33.61 23.26 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 112.893 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -150.84 159.69 33.58 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.715 2.406 . . . . 10.0 109.116 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.16 -15.86 39.63 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.62 2.214 . . . . 10.0 113.328 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.06 -33.29 74.29 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.325 -0.86 . . . . 10.0 112.066 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.07 -26.53 66.78 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.396 -0.815 . . . . 10.0 113.033 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.96 -22.6 49.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.789 1.236 . . . . 10.0 113.377 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 3.42 26.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.322 1.849 . . . . 10.0 112.931 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.96 140.12 58.35 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.362 -0.836 . . . . 10.0 111.813 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -3.04 0.11 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.479 2.029 . . . . 10.0 116.479 177.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -116.96 -28.04 6.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.171 1.789 . . . . 10.0 112.906 174.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 15.6 tpt -62.17 -28.34 69.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.396 0.998 . . . . 10.0 112.091 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -55.54 -27.46 49.06 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -72.52 -40.07 67.07 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.388 0.994 . . . . 10.0 111.755 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.49 -46.55 85.63 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.271 1.428 . . . . 10.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.93 -45.23 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.798 1.639 . . . . 10.0 112.1 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.09 94.66 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.414 1.006 . . . . 10.0 112.255 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.33 -45.9 90.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.522 1.129 . . . . 10.0 111.849 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.79 98.14 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 10.0 111.945 174.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.16 -31.6 72.86 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.866 0.867 . . . . 10.0 113.168 173.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.8 -46.48 58.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.558 1.143 . . . . 10.0 111.923 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.21 -50.12 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.276 0.63 . . . . 10.0 109.981 171.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -47.32 -56.25 7.2 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.965 1.306 . . . . 10.0 112.426 173.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.8 -35.51 91.39 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 123.304 0.478 . . . . 10.0 113.872 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.11 -38.77 51.55 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.302 1.051 . . . . 10.0 111.845 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.4 mmt -68.43 -40.89 81.0 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.106 0.962 . . . . 10.0 111.011 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.28 -45.69 90.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.325 1.45 . . . . 10.0 112.924 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.2 -30.38 70.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.816 0.846 . . . . 10.0 112.679 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -78.58 -34.05 47.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.963 1.097 . . . . 10.0 113.963 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.91 131.6 41.62 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -77.0 -18.8 57.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.678 1.591 . . . . 10.0 113.786 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.7 p -145.97 162.98 36.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.297 1.439 . . . . 10.0 112.9 176.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -57.24 -44.52 83.91 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.796 1.239 . . . . 10.0 112.623 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.13 -44.05 95.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.418 1.087 . . . . 10.0 112.245 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.95 -38.14 85.59 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.63 -0.669 . . . . 10.0 112.316 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.82 -55.29 36.96 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.011 1.324 . . . . 10.0 111.918 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -50.0 -47.73 52.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.767 0.827 . . . . 10.0 112.211 169.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -65.3 -41.58 93.96 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.325 -0.859 . . . . 10.0 112.404 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.68 -38.94 92.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.609 1.164 . . . . 10.0 112.442 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.24 -48.81 78.29 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.845 0.748 . . . . 10.0 111.311 169.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.25 -28.77 69.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.43 -40.57 93.49 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.338 -0.851 . . . . 10.0 112.619 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -37.53 72.33 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.622 1.101 . . . . 10.0 111.985 174.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.2 mt -54.74 -54.22 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 118.738 0.699 . . . . 10.0 109.472 169.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -53.23 -56.09 19.26 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.969 0.908 . . . . 10.0 111.664 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -52.02 -58.39 6.67 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.032 0.933 . . . . 10.0 112.731 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.222 0.464 . . . . 10.0 110.127 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -69.02 -58.15 4.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.861 -0.524 . . . . 10.0 112.335 -175.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -70.07 -23.89 63.15 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.001 0.819 . . . . 10.0 113.176 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -68.64 -55.78 10.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.582 0.753 . . . . 10.0 111.727 170.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.43 -37.29 82.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.163 0.892 . . . . 10.0 112.692 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.48 1.97 1.04 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.089 1.514 . . . . 10.0 115.089 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -124.01 -42.7 2.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.451 1.5 . . . . 10.0 111.754 170.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -65.86 -9.96 33.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.029 1.732 . . . . 10.0 114.801 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? . . . . . 0 N--CA 1.483 1.216 0 C-N-CA 125.774 1.629 . . . . 10.0 113.94 176.538 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 13.6 mm . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 113.73 1.011 . . . . 10.0 113.73 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.93 90.42 48.59 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.183 1.793 . . . . 10.0 109.528 -169.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.25 139.42 27.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 125.178 3.919 . . . . 10.0 113.595 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.3 m -57.73 -33.68 68.7 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.565 1.32 . . . . 10.0 114.565 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.82 -38.26 73.24 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.53 -0.731 . . . . 10.0 112.811 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.96 -43.38 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.495 0.718 . . . . 10.0 109.378 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 53.7 ttm -50.94 -53.51 32.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.067 1.347 . . . . 10.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.42 -37.73 75.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -175.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.67 -38.43 90.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.197 0.599 . . . . 10.0 112.122 173.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.19 -49.09 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.941 0.791 . . . . 10.0 110.896 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.91 -32.4 72.79 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -71.63 -41.43 68.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.772 1.229 . . . . 10.0 113.243 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 856' ' ' ASN . . . . . 0.431 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 32.7 m-80 -80.15 -42.79 22.79 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.687 1.366 . . . . 10.0 114.687 -173.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 117.704 2.483 . . . . 10.0 117.704 -169.472 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.9 tptm . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.12 -53.8 54.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.476 1.511 . . . . 10.0 112.561 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.51 -30.67 69.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.226 0.611 . . . . 10.0 112.254 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -64.46 -44.0 92.47 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.669 -0.644 . . . . 10.0 112.063 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.3 tp -67.87 -24.5 65.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.759 1.624 . . . . 10.0 113.685 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 67.4 mt -51.73 -47.82 63.87 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.16 0.891 . . . . 10.0 112.595 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.21 -46.9 86.84 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.356 1.062 . . . . 10.0 111.663 177.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 57.4 mtt -59.53 -33.2 71.09 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.564 1.145 . . . . 10.0 113.099 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.1 t -61.79 -24.81 67.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.099 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 29.3 m -51.5 -34.02 34.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.839 1.656 . . . . 10.0 114.636 -174.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 179.899 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.445 0 N-CA-C 116.549 1.379 . . . . 10.0 116.549 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -141.55 -14.91 0.84 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.626 1.713 . . . . 10.0 115.626 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -68.37 -17.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.634 0.774 . . . . 10.0 112.734 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.72 -13.29 3.85 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.935 2.094 . . . . 10.0 116.073 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -127.37 5.56 6.31 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.882 1.438 . . . . 10.0 114.882 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.66 140.74 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.114 -0.991 . . . . 10.0 109.754 170.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 87.4 m -135.98 146.95 47.77 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.113 1.365 . . . . 10.0 110.408 -172.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -57.17 -34.65 68.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.334 1.053 . . . . 10.0 113.723 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.7 -42.4 99.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.577 0.751 . . . . 10.0 112.237 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.88 -50.09 70.16 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.774 0.829 . . . . 10.0 110.505 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.89 -49.43 65.9 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.073 1.349 . . . . 10.0 112.806 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 62.2 m -61.49 -51.2 69.65 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.728 1.211 . . . . 10.0 112.141 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -67.19 -41.56 85.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 119.058 -0.496 . . . . 10.0 111.586 -177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.75 -43.17 98.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.275 0.943 . . . . 10.0 112.659 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.72 -49.18 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.709 1.14 . . . . 10.0 111.197 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -58.49 -41.78 86.1 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.569 0.622 . . . . 10.0 112.161 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -68.41 -34.83 76.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.136 1.374 . . . . 10.0 112.885 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 607' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' B' ' 657' ' ' ILE . 2.2 tp -60.22 -54.02 50.72 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.066 1.346 . . . . 10.0 108.789 169.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.55 -47.03 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.345 1.858 . . . . 10.0 113.022 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.87 -44.92 91.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.492 1.117 . . . . 10.0 112.601 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.24 77.05 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.3 -47.32 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.035 0.934 . . . . 10.0 111.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 612' ' ' PHE . . . . . 0.413 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 0.5 OUTLIER -133.03 99.27 15.1 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.237 0.615 . . . . 10.0 110.501 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.06 99.04 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 124.391 3.394 . . . . 10.0 110.22 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 81.8 p -47.08 151.39 1.19 Allowed Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 128.709 2.804 . . . . 10.0 116.792 -169.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.413 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 94.3 Cg_endo -79.34 -38.44 0.41 Allowed 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.558 2.839 . . . . 10.0 111.183 170.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -157.8 158.49 30.35 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 129.288 3.035 . . . . 10.0 108.377 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -70.48 -19.82 32.23 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.825 2.35 . . . . 10.0 112.461 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.23 66.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.89 1.276 . . . . 10.0 113.761 170.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.42 -39.37 81.62 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.33 -0.856 . . . . 10.0 112.369 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 69.7 mt -60.93 -28.33 68.86 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.451 1.501 . . . . 10.0 114.112 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -97.97 7.59 46.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.659 1.583 . . . . 10.0 113.613 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -116.87 159.12 22.86 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.159 1.383 . . . . 10.0 112.309 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -32.81 55.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.451 1.501 . . . . 10.0 112.949 -174.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -57.85 -22.96 50.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.826 2.05 . . . . 10.0 114.985 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 68.2 mtp -119.25 -17.08 8.96 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 117.989 -1.005 . . . . 10.0 112.571 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -54.11 -37.14 63.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.036 1.744 . . . . 10.0 112.395 169.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.51 -49.28 77.96 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.018 1.327 . . . . 10.0 111.85 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.87 -42.74 85.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.163 1.385 . . . . 10.0 112.379 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.89 -45.24 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.075 2.15 . . . . 10.0 112.173 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.58 89.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.213 1.005 . . . . 10.0 112.332 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 631' ' ' TYR . . . . . 0.494 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -61.69 -42.56 99.1 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.361 1.064 . . . . 10.0 112.214 170.444 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.24 98.14 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.414 -0.804 . . . . 10.0 111.573 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.01 -45.29 93.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.2 0.909 . . . . 10.0 112.443 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.48 -46.78 87.83 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.568 1.147 . . . . 10.0 112.345 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.76 -42.07 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.402 0.681 . . . . 10.0 111.81 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -53.15 -42.53 66.2 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.334 0.97 . . . . 10.0 111.595 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.07 -29.94 76.35 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.462 1.029 . . . . 10.0 114.545 176.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.66 -40.53 28.9 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.102 1.451 . . . . 10.0 111.529 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -62.11 -39.7 93.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.564 0.746 . . . . 10.0 111.113 172.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.96 -49.06 74.01 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.541 1.936 . . . . 10.0 113.621 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -61.5 -22.38 65.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.291 1.036 . . . . 10.0 113.56 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.5 m -107.71 -20.23 13.28 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.602 1.704 . . . . 10.0 115.602 -170.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.8 133.72 36.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.483 1.038 . . . . 10.0 113.297 -174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.09 3.42 51.83 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 174.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.2 p -152.2 158.65 43.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.885 1.274 . . . . 10.0 111.053 169.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -64.03 -37.89 89.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.242 0.617 . . . . 10.0 112.25 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.97 -42.86 99.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 10.0 112.203 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.14 -39.89 86.66 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.563 -0.711 . . . . 10.0 112.127 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.46 -52.81 63.87 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.176 0.99 . . . . 10.0 111.756 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -53.81 -47.85 70.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 170.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.54 -45.1 89.58 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.039 0.836 . . . . 10.0 111.716 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.75 -43.86 97.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.239 1.015 . . . . 10.0 112.782 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.23 -56.7 18.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.087 0.858 . . . . 10.0 111.276 170.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.99 -26.84 62.4 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 -169.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.77 -44.98 65.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.849 -1.157 . . . . 10.0 111.381 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -38.47 75.5 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.669 0.668 . . . . 10.0 110.926 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 657' ' ' ILE . . . . . 0.518 HD11 ' HG ' ' B' ' 607' ' ' LEU . 11.2 mm -63.34 -52.59 56.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.927 1.291 . . . . 10.0 111.759 173.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -64.57 -36.87 85.61 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.079 1.309 . . . . 10.0 111.667 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -50.38 70.12 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.775 0.716 . . . . 10.0 112.172 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.47 -40.61 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.443 0.565 . . . . 10.0 110.713 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.14 -51.73 62.47 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -74.39 -23.87 59.04 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.1 -52.24 60.18 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.68 0.673 . . . . 10.0 110.352 169.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.53 -48.08 83.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.993 0.917 . . . . 10.0 111.772 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -57.76 -18.45 21.5 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.32 -60.24 1.59 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.292 -0.88 . . . . 10.0 112.009 171.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -62.7 -22.28 66.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.652 0.982 . . . . 10.0 113.652 -171.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 125.224 1.409 . . . . 10.0 113.109 177.359 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 60.4 tp -125.35 88.3 54.37 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.59 1.556 . . . . 10.0 108.397 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 846' ' ' PRO . . . . . 0.494 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 13.8 Cg_exo -41.89 134.34 3.93 Favored 'Trans proline' 0 C--N 1.352 0.712 1 C-N-CA 126.655 4.903 . . . . 10.0 114.374 174.075 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 59.1 p -55.51 -38.21 68.9 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.441 1.645 . . . . 10.0 115.441 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -44.39 94.04 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.383 1.073 . . . . 10.0 112.641 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.08 -35.69 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.46 1.104 . . . . 10.0 111.44 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 57.8 ttp -53.45 -54.23 39.9 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.016 0.926 . . . . 10.0 110.512 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.52 -41.59 66.53 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.333 1.053 . . . . 10.0 112.945 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -70.13 -41.18 74.27 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.83 -42.99 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.066 -1.022 . . . . 10.0 111.257 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.44 -28.74 69.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.061 0.846 . . . . 10.0 112.633 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -74.71 -46.78 35.4 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.163 1.385 . . . . 10.0 112.436 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -80.08 -42.53 23.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 119.043 2.979 . . . . 10.0 119.043 -170.293 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -153.39 -47.53 0.09 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.462 0.912 . . . . 10.0 113.462 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -58.13 -53.23 60.57 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.315 -0.865 . . . . 10.0 112.151 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -21.52 65.88 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.885 1.068 . . . . 10.0 113.885 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 46.9 mm -74.08 -51.79 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.438 1.095 . . . . 10.0 109.606 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -62.37 -38.6 90.2 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.702 0.801 . . . . 10.0 111.609 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.45 -52.5 64.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.663 1.185 . . . . 10.0 112.135 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 8.3 tt -58.98 -46.9 86.98 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.106 0.962 . . . . 10.0 112.323 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.12 -41.75 99.4 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.455 0.702 . . . . 10.0 111.715 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 58.6 tp -71.01 -39.0 72.65 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.889 1.276 . . . . 10.0 113.232 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.69 -40.74 60.63 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.132 1.373 . . . . 10.0 113.679 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.81 -56.5 4.62 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.322 0.649 . . . . 10.0 111.298 174.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.79 -20.17 66.23 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 95.9 p -70.71 -20.38 62.66 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.096 1.147 . . . . 10.0 114.096 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.6 m -58.32 -41.93 85.64 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.789 1.177 . . . . 10.0 113.249 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.71 -32.3 73.38 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.045 -1.034 . . . . 10.0 112.977 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -71.08 -39.97 71.85 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.103 -0.998 . . . . 10.0 111.589 172.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -61.72 -35.3 77.67 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.2 mp -93.58 -38.76 11.2 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 -173.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -140.49 2.31 1.82 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 -172.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 65.32 -172.32 22.53 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.617 1.103 . . . . 10.0 115.262 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -137.95 6.22 2.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.524 1.53 . . . . 10.0 113.567 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.93 -14.56 60.3 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.412 1.264 . . . . 10.0 114.412 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -67.63 -8.74 37.04 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 115.209 1.559 . . . . 10.0 115.209 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 C--O 1.252 1.199 0 C-N-CA 126.017 1.727 . . . . 10.0 111.779 -177.347 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 94.6 t -139.13 126.63 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.633 1.573 . . . . 10.0 109.397 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -27.92 60.59 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.204 1.002 . . . . 10.0 113.493 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -56.28 117.33 3.69 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.765 1.226 . . . . 10.0 111.556 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -156.96 40.2 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.907 1.718 . . . . 10.0 111.618 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -124.46 -12.34 7.27 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.373 1.469 . . . . 10.0 114.279 -171.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -61.5 -34.16 75.02 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.121 1.369 . . . . 10.0 111.721 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.12 -18.51 61.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.153 1.781 . . . . 10.0 115.102 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -83.65 -19.78 34.78 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.267 0.939 . . . . 10.0 113.369 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 18.0 t -77.08 155.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 10.0 110.647 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 48.0 p -128.81 158.11 39.61 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.994 1.317 . . . . 10.0 110.834 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.04 -38.19 82.01 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.752 -0.592 . . . . 10.0 111.546 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.73 -43.8 97.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.851 0.86 . . . . 10.0 112.149 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.28 -48.72 78.63 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 122.956 0.502 . . . . 10.0 110.408 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.14 -51.66 61.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.54 1.136 . . . . 10.0 112.56 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 72.2 m -58.69 -53.33 59.63 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.248 1.019 . . . . 10.0 112.463 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -69.6 -34.76 74.57 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.853 -0.594 . . . . 10.0 112.403 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.79 -41.76 87.08 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.443 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.85 -47.03 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 120.385 1.448 . . . . 10.0 110.72 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -51.47 66.32 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.895 0.878 . . . . 10.0 112.047 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -71.38 -25.29 62.3 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.741 0.816 . . . . 10.0 112.364 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.459 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.3 tp -59.5 -53.78 54.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.036 0.934 . . . . 10.0 108.503 168.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 57.7 t -54.97 -44.55 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.572 1.149 . . . . 10.0 112.723 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -57.65 -32.65 67.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.773 1.027 . . . . 10.0 113.773 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -96.47 -27.81 14.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.085 0.772 . . . . 10.0 113.085 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.83 -47.27 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.325 0.65 . . . . 10.0 110.302 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -146.98 102.19 3.86 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 123.473 0.709 . . . . 10.0 109.923 169.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.9 -7.03 3.01 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 124.937 3.758 . . . . 10.0 117.168 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 82.4 p 58.19 151.99 0.08 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 129.446 3.099 . . . . 10.0 116.498 -170.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.74 -34.89 8.36 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.02 2.48 . . . . 10.0 112.491 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -155.52 158.29 31.82 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 128.151 2.581 . . . . 10.0 109.058 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -68.78 -19.93 40.43 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.594 2.196 . . . . 10.0 113.579 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.53 74.17 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.342 -0.848 . . . . 10.0 113.036 169.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.7 64.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.222 -0.924 . . . . 10.0 113.251 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.25 -26.85 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.102 0.961 . . . . 10.0 112.541 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -94.89 -17.21 22.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.295 1.438 . . . . 10.0 113.406 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -64.21 143.8 57.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.201 1.0 . . . . 10.0 112.865 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -27.6 44.09 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.664 1.727 . . . . 10.0 115.664 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -71.08 -27.37 63.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.524 1.056 . . . . 10.0 112.715 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -64.97 -24.31 67.48 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.381 0.672 . . . . 10.0 112.502 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.657 -1.277 . . . . 10.0 113.338 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.5 -43.92 75.82 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.498 -0.751 . . . . 10.0 111.375 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -47.55 85.54 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.884 1.674 . . . . 10.0 110.961 174.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -59.49 -47.04 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.461 1.904 . . . . 10.0 112.527 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.66 91.93 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.151 -0.968 . . . . 10.0 112.14 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.3 -47.52 83.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.226 1.01 . . . . 10.0 111.732 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.56 95.44 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.543 -0.723 . . . . 10.0 112.452 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.01 -44.76 96.94 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.082 0.855 . . . . 10.0 112.424 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.77 -45.37 90.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.284 1.034 . . . . 10.0 112.23 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.8 -49.2 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.168 0.987 . . . . 10.0 110.665 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -55.11 -46.26 75.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.26 0.937 . . . . 10.0 112.113 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.65 -35.54 91.22 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.71 0.672 . . . . 10.0 114.092 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.86 -37.32 67.42 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.473 1.137 . . . . 10.0 111.849 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 17.4 mmt -72.12 -35.22 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.691 1.196 . . . . 10.0 111.421 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.79 -50.98 70.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.372 1.469 . . . . 10.0 111.67 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.89 -25.5 67.2 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.412 -0.805 . . . . 10.0 113.015 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -80.08 2.69 22.97 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.99 54.28 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -7.91 57.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.818 1.247 . . . . 10.0 113.612 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 64.4 p -147.16 161.19 41.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.723 1.609 . . . . 10.0 112.209 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 27.1 ttp-105 -62.32 -38.17 88.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.987 0.915 . . . . 10.0 112.529 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.41 -44.81 95.56 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 10.0 112.355 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.43 -38.4 87.34 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.573 -0.704 . . . . 10.0 112.136 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -58.0 -55.23 37.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.428 1.091 . . . . 10.0 111.829 173.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -53.2 -45.23 68.49 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.734 1.013 . . . . 10.0 113.734 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -59.15 -45.4 91.07 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.133 0.573 . . . . 10.0 111.825 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.91 -42.96 89.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.823 0.849 . . . . 10.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 64.4 mt -55.54 -55.86 27.02 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.173 0.897 . . . . 10.0 110.801 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.73 -32.57 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.968 0.907 . . . . 10.0 113.296 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.72 -43.91 78.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.005 1.275 . . . . 10.0 112.305 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -37.78 82.17 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.261 -0.899 . . . . 10.0 111.691 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' B' ' 607' ' ' LEU . 5.0 mm -59.49 -46.84 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.661 1.185 . . . . 10.0 112.044 170.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.26 -51.11 69.34 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.891 1.276 . . . . 10.0 111.154 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -54.58 -59.0 5.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.585 0.754 . . . . 10.0 111.815 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.66 -45.91 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.239 0.615 . . . . 10.0 111.142 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -68.58 -57.58 5.53 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -13.95 58.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.06 1.504 . . . . 10.0 115.06 -169.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -72.22 -55.65 6.86 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.06 0.846 . . . . 10.0 109.74 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.99 -34.55 78.25 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.695 -0.628 . . . . 10.0 112.521 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.99 -19.5 44.06 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.397 1.258 . . . . 10.0 114.397 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -116.0 -28.48 6.62 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.655 -1.278 . . . . 10.0 113.958 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.64 -24.73 58.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.266 -0.896 . . . . 10.0 113.319 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -136.39 -7.31 1.99 Allowed 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 114.944 1.461 . . . . 10.0 114.944 -171.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -141.24 18.35 2.25 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 42.2 p -51.82 -33.68 36.96 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.731 1.752 . . . . 10.0 115.731 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -70.88 -12.39 61.52 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.254 1.325 0 C-N-CA 128.291 2.636 . . . . 10.0 113.939 -175.277 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 111.48 0.178 . . . . 10.0 111.48 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -143.15 175.59 9.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.109 1.364 . . . . 10.0 112.464 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -137.44 29.47 2.69 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.294 1.437 . . . . 10.0 112.796 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -61.72 156.17 36.35 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.176 0.893 . . . . 10.0 114.411 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -70.29 158.14 36.44 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.001 0.92 . . . . 10.0 112.795 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 3.5 mm -127.19 -13.15 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.254 2.222 . . . . 10.0 112.153 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 63.9 tp -125.45 89.27 52.81 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.249 1.82 . . . . 10.0 109.585 -169.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.2 142.62 20.97 Favored 'Trans proline' 0 C--N 1.353 0.803 1 C-N-CA 125.953 4.436 . . . . 10.0 114.094 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 51.8 p -51.99 -40.96 61.77 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.559 1.689 . . . . 10.0 115.559 -170.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.49 -42.8 95.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.727 0.694 . . . . 10.0 112.659 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.6 mp -76.18 -38.79 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.593 0.757 . . . . 10.0 110.284 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 19.6 ttt -51.97 -56.35 14.77 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.509 1.124 . . . . 10.0 110.961 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -41.01 60.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.558 1.143 . . . . 10.0 113.543 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.06 -44.62 91.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.796 0.838 . . . . 10.0 112.628 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.48 -38.9 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.986 0.812 . . . . 10.0 111.45 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -39.01 90.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.127 -0.983 . . . . 10.0 112.598 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.46 -43.0 77.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.228 1.011 . . . . 10.0 112.586 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.2 -38.41 31.26 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.194 1.553 . . . . 10.0 115.194 -171.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 40.4 p -75.07 -26.74 0.66 Allowed Pre-proline 0 N--CA 1.48 1.036 0 N-CA-C 118.195 2.665 . . . . 10.0 118.195 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.83 172.61 1.09 Allowed 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 124.345 3.364 . . . . 10.0 116.555 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 15.9 t -138.77 153.56 48.44 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.023 1.729 . . . . 10.0 110.547 170.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 61.5 mtt -145.57 168.49 20.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.336 1.454 . . . . 10.0 112.468 -170.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -137.81 167.79 21.0 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.425 1.89 . . . . 10.0 110.886 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -145.26 162.65 36.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.97 1.308 . . . . 10.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -154.45 172.04 18.4 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.092 1.757 . . . . 10.0 112.277 -177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -168.68 28.37 0.15 Allowed Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.442 1.02 . . . . 10.0 115.05 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.4 167.17 15.2 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.113 0.965 . . . . 10.0 113.37 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 43.3 t -149.71 143.75 17.07 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 125.016 1.326 . . . . 10.0 111.461 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -76.39 -8.26 18.35 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.638 2.892 . . . . 10.0 113.693 174.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.5 148.78 47.76 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.44 1.096 . . . . 10.0 112.757 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.083 1.753 . . . . 10.0 111.851 177.896 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 87.6 mttt . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -36.75 -51.95 0.89 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 129.29 3.036 . . . . 10.0 115.685 -169.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -59.34 -43.83 92.72 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.68 -33.96 64.67 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.775 0.83 . . . . 10.0 111.841 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 3.6 mm -59.42 -49.81 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.952 0.796 . . . . 10.0 110.051 174.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -66.15 -38.46 88.17 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.84 -49.44 76.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.55 1.14 . . . . 10.0 112.592 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.88 -42.46 99.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.775 1.23 . . . . 10.0 111.724 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.22 -43.84 90.19 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.91 0.884 . . . . 10.0 111.869 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 68.7 tp -72.15 -26.72 62.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.102 1.761 . . . . 10.0 113.853 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.85 -42.82 48.33 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.492 1.117 . . . . 10.0 112.929 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.98 -54.29 28.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.293 1.037 . . . . 10.0 111.798 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 52.9 mtt -61.23 -29.48 69.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.751 1.22 . . . . 10.0 113.7 -171.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.5 t -65.26 -19.98 66.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.241 1.416 . . . . 10.0 114.293 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.3 m -56.71 -41.6 77.7 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.185 0.994 . . . . 10.0 113.157 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -66.12 -20.64 66.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.634 0.975 . . . . 10.0 113.634 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -79.72 -42.37 24.78 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.325 0.966 . . . . 10.0 111.523 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -61.7 -47.71 84.04 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.821 0.848 . . . . 10.0 112.399 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.12 -13.45 58.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.258 1.423 . . . . 10.0 114.785 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -68.24 -15.83 63.73 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.259 1.024 . . . . 10.0 113.495 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 114.35 37.82 1.17 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.948 1.261 . . . . 10.0 113.72 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -56.75 153.68 10.29 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.917 1.451 . . . . 10.0 114.917 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -147.39 -3.89 0.54 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.45 1.648 . . . . 10.0 115.45 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -151.59 167.87 26.73 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.514 1.126 . . . . 10.0 112.562 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.51 1.924 . . . . 10.0 113.122 176.869 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.47 147.07 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.791 1.636 . . . . 10.0 109.88 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -132.94 -30.47 1.37 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.51 1.524 . . . . 10.0 113.834 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -140.55 166.21 25.35 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 127.224 2.21 . . . . 10.0 110.604 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -145.02 22.27 1.94 Allowed Glycine 0 CA--C 1.536 1.363 0 N-CA-C 115.815 1.086 . . . . 10.0 115.815 -174.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -139.86 -9.34 1.19 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -66.37 -17.39 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.152 -0.968 . . . . 10.0 113.285 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.45 -20.25 29.24 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -107.59 -4.59 18.18 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.4 t -74.39 149.09 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.701 1.2 . . . . 10.0 110.657 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 14.8 t -143.3 156.5 44.73 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.029 1.332 . . . . 10.0 111.017 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -58.84 -40.26 83.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.678 0.791 . . . . 10.0 112.484 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.43 -37.23 74.97 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.654 0.782 . . . . 10.0 113.1 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.31 -55.66 19.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.348 0.659 . . . . 10.0 110.395 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -53.71 -45.77 70.53 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.133 0.973 . . . . 10.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.7 m -57.21 -53.67 55.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.726 1.21 . . . . 10.0 112.846 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.9 -39.65 87.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.009 -0.432 . . . . 10.0 112.156 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.4 -45.1 94.67 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.69 0.677 . . . . 10.0 111.753 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 44.5 t -57.12 -49.51 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 118.808 0.731 . . . . 10.0 111.151 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -40.55 82.59 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.163 0.892 . . . . 10.0 112.662 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -75.33 -39.18 59.72 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.019 0.928 . . . . 10.0 112.513 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -45.57 89.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 10.0 110.689 169.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.93 -50.44 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.281 1.432 . . . . 10.0 112.963 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.31 -38.74 92.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.353 0.979 . . . . 10.0 112.903 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.19 94.66 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 122.149 -0.344 . . . . 10.0 111.926 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.79 -46.47 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.108 0.963 . . . . 10.0 111.839 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -147.17 112.02 4.08 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.518 0.727 . . . . 10.0 110.311 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -59.41 -6.06 3.76 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.314 3.343 . . . . 10.0 116.868 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.67 151.42 0.14 Allowed Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 127.89 2.476 . . . . 10.0 113.299 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -85.01 -37.39 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.245 2.63 . . . . 10.0 112.635 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -157.74 154.96 26.04 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.919 2.887 . . . . 10.0 108.841 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.72 -17.89 42.3 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.771 2.314 . . . . 10.0 113.568 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.16 -27.96 69.07 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.37 95.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.81 0.844 . . . . 10.0 111.712 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.1 -20.37 17.03 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.557 1.943 . . . . 10.0 114.438 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -118.46 19.63 13.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 10.0 113.535 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -132.37 163.78 27.94 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.003 1.321 . . . . 10.0 112.782 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 623' ' ' ARG . . . . . 0.428 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 8.4 mpt_? -53.02 -36.01 60.06 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.279 1.832 . . . . 10.0 112.927 -171.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -53.13 -42.56 66.18 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.591 1.556 . . . . 10.0 113.302 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.8 tpt -94.17 -26.85 16.5 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.283 0.633 . . . . 10.0 112.262 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -53.45 -36.24 61.38 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.346 0.976 . . . . 10.0 112.421 169.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.76 -44.37 96.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.413 -0.805 . . . . 10.0 112.641 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.24 -48.55 75.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.17 1.388 . . . . 10.0 110.888 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.35 -43.7 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 126.288 1.835 . . . . 10.0 112.161 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.54 85.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.492 1.117 . . . . 10.0 112.084 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.72 -46.57 81.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.216 1.006 . . . . 10.0 111.895 170.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.7 76.49 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.433 -0.794 . . . . 10.0 111.408 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.77 -46.36 90.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.603 1.092 . . . . 10.0 113.331 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.61 -47.68 81.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.204 1.402 . . . . 10.0 111.675 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.6 t -79.79 -35.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.772 -0.632 . . . . 10.0 111.79 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.29 -40.71 71.39 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.416 1.462 . . . . 10.0 111.414 172.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.26 -34.23 88.94 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.161 0.886 . . . . 10.0 114.212 171.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.28 -39.33 74.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.83 1.315 . . . . 10.0 111.692 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.3 mmt -66.59 -43.42 84.95 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.542 1.137 . . . . 10.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -59.58 -50.11 75.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.498 1.519 . . . . 10.0 112.866 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.02 -24.76 66.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.245 -0.909 . . . . 10.0 113.126 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.2 m -82.28 -34.34 28.75 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.967 1.099 . . . . 10.0 113.967 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.91 122.37 19.84 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.203 1.186 . . . . 10.0 114.203 -170.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -17.79 64.29 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.646 0.98 . . . . 10.0 113.646 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 86.1 p -149.04 163.39 37.66 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.256 1.422 . . . . 10.0 113.008 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -53.39 -46.71 69.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.89 1.676 . . . . 10.0 112.717 173.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.8 -32.02 67.18 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.11 -39.59 78.84 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.365 0.984 . . . . 10.0 111.719 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.84 -54.68 44.14 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.752 0.821 . . . . 10.0 111.478 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.61 -44.68 77.25 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 114.008 1.114 . . . . 10.0 114.008 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.63 -43.05 89.59 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.149 0.886 . . . . 10.0 111.824 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.75 -45.09 91.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.321 1.049 . . . . 10.0 112.648 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.883 0.765 . . . . 10.0 112.254 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.54 74.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.816 0.846 . . . . 10.0 112.16 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.27 -40.96 97.05 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.423 -0.798 . . . . 10.0 111.351 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -45.97 91.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.196 0.907 . . . . 10.0 112.0 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.82 -56.95 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.413 1.006 . . . . 10.0 110.088 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -56.34 -45.19 80.52 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.017 0.927 . . . . 10.0 112.04 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.14 -45.26 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.872 1.214 . . . . 10.0 109.905 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -62.12 -50.36 72.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.337 0.655 . . . . 10.0 111.85 -171.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -71.68 -30.49 65.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.164 1.386 . . . . 10.0 113.715 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -71.21 -54.4 11.1 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.403 0.547 . . . . 10.0 111.575 170.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.09 -33.31 75.73 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.081 -1.012 . . . . 10.0 113.077 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -63.51 -3.74 2.34 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.535 1.68 . . . . 10.0 115.535 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.64 -32.9 2.82 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.652 1.114 . . . . 10.0 113.403 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.17 -26.63 64.0 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -125.77 3.67 7.44 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.478 1.511 . . . . 10.0 114.321 -170.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -130.2 11.71 5.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.477 1.511 . . . . 10.0 113.728 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 78.3 p -59.37 -20.33 53.89 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.551 1.54 . . . . 10.0 115.139 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -70.54 -7.35 43.17 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.668 1.587 . . . . 10.0 114.395 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.206 1.803 . . . . 10.0 111.898 -173.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.745 0.307 . . . . 10.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -72.27 -9.31 58.3 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.021 1.489 . . . . 10.0 115.021 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -143.78 -34.11 0.4 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.379 1.622 . . . . 10.0 115.379 -174.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 141.85 -175.64 22.46 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.775 1.178 . . . . 10.0 114.049 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -145.93 158.44 43.86 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.716 1.606 . . . . 10.0 110.385 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 31.6 mm -58.93 -28.3 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.556 0.742 . . . . 10.0 112.35 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 52.4 tp -124.01 85.03 54.62 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.686 1.994 . . . . 10.0 108.097 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.75 141.09 16.51 Favored 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 125.673 4.249 . . . . 10.0 113.663 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.4 p -54.21 -35.84 62.82 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 -170.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.59 -43.56 76.2 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.122 0.874 . . . . 10.0 112.934 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.76 -38.28 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.216 0.607 . . . . 10.0 110.097 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 18.4 ttt -53.64 -55.65 24.06 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.793 0.837 . . . . 10.0 110.47 174.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.24 -37.65 72.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.125 0.97 . . . . 10.0 113.3 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.68 -50.99 71.29 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.488 0.585 . . . . 10.0 112.038 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 15.7 t -63.18 -41.24 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.98 0.809 . . . . 10.0 111.219 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.55 -26.51 67.16 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.421 0.897 . . . . 10.0 113.421 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -78.4 -37.13 44.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.656 1.182 . . . . 10.0 113.375 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -80.17 -39.2 29.77 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.145 1.165 . . . . 10.0 114.145 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 23.9 p -73.57 -33.85 2.01 Favored Pre-proline 0 N--CA 1.477 0.914 0 N-CA-C 117.677 2.473 . . . . 10.0 117.677 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -94.21 174.57 1.4 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.245 2.63 . . . . 10.0 113.315 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 46.3 m -67.55 161.89 24.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.122 0.969 . . . . 10.0 111.049 168.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 47.1 ttm -146.96 143.67 28.63 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.359 -0.838 . . . . 10.0 112.049 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.77 -8.69 22.66 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -55.59 -20.24 12.89 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.152 1.381 . . . . 10.0 114.389 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.58 -23.16 66.87 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 148.71 158.42 8.02 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.441 1.496 . . . . 10.0 113.576 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -71.93 166.38 22.27 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.814 1.042 . . . . 10.0 113.814 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 23.0 t -144.43 89.13 6.99 Favored Pre-proline 0 N--CA 1.473 0.715 0 C-N-CA 125.294 1.438 . . . . 10.0 110.463 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.92 161.63 4.61 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.569 3.512 . . . . 10.0 115.156 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -138.8 164.57 29.27 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.949 1.7 . . . . 10.0 111.768 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.255 1.371 0 C-N-CA 125.961 1.705 . . . . 10.0 113.572 -179.849 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.37 -0.348 . . . . 10.0 110.638 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -155.58 -71.62 0.12 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.554 0.616 . . . . 10.0 112.127 169.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -58.59 -59.25 5.68 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.372 1.469 . . . . 10.0 113.121 -171.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.73 -32.94 72.18 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.769 0.828 . . . . 10.0 113.11 -174.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.64 -50.87 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.217 1.007 . . . . 10.0 111.054 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -71.53 -37.45 71.17 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 119.088 -0.482 . . . . 10.0 111.979 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -57.73 -47.45 82.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.236 1.015 . . . . 10.0 112.728 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.34 -44.81 96.56 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 10.0 111.93 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -66.42 -46.1 77.67 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.592 0.757 . . . . 10.0 111.689 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.45 -21.08 59.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.379 1.471 . . . . 10.0 113.447 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.98 -32.3 53.55 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.302 0.955 . . . . 10.0 113.406 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.54 -52.35 16.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.65 0.78 . . . . 10.0 110.75 169.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 303' ' ' MET . . . . . 0.434 ' HA ' ' CE1' ' B' ' 650' ' ' TYR . 61.0 mtt -61.08 -24.19 66.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.21 1.804 . . . . 10.0 114.58 -171.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 92.6 p -59.97 -27.57 66.94 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 12.7 m -56.68 -42.2 78.62 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.148 0.979 . . . . 10.0 113.516 -171.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -26.78 68.65 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 177.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -77.85 -43.71 29.47 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.495 0.718 . . . . 10.0 110.947 171.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.3 -36.84 82.34 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.163 -0.96 . . . . 10.0 112.994 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.13 -8.25 43.65 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.572 1.149 . . . . 10.0 113.731 171.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -116.02 -31.3 5.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.076 1.75 . . . . 10.0 113.295 -175.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -101.49 -6.83 49.92 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.12 1.819 . . . . 10.0 115.184 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -110.57 13.84 22.54 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.669 1.187 . . . . 10.0 112.75 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -60.94 149.67 35.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.314 1.045 . . . . 10.0 111.752 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -139.33 8.46 2.44 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.421 1.267 . . . . 10.0 114.421 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.167 1.787 . . . . 10.0 111.638 -176.662 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.316 0 CA-C-O 119.573 -0.57 . . . . 10.0 111.728 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 39.5 t -85.06 125.09 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 118.369 1.084 . . . . 10.0 110.811 -172.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.34 138.18 36.67 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.186 0.994 . . . . 10.0 110.401 172.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -131.45 15.22 4.99 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.041 1.337 . . . . 10.0 114.007 -169.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 80.12 -46.11 3.12 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.485 1.517 . . . . 10.0 114.543 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -66.4 -16.08 63.8 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -57.67 -27.81 63.2 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.892 1.277 . . . . 10.0 113.579 -171.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -20.86 64.41 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -80.65 3.21 22.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.196 0.999 . . . . 10.0 113.508 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.25 144.49 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.921 1.688 . . . . 10.0 110.197 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 61.2 p -131.4 164.42 25.74 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.075 1.75 . . . . 10.0 110.697 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -36.41 79.08 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.484 -0.76 . . . . 10.0 112.243 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.52 -43.9 95.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.707 0.803 . . . . 10.0 111.773 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.31 -48.78 76.62 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.719 0.407 . . . . 10.0 110.907 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.09 -47.69 71.49 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.707 1.203 . . . . 10.0 112.696 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.9 m -56.55 -51.79 67.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.395 1.078 . . . . 10.0 111.698 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -72.1 -40.59 68.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.15 -49.51 75.55 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.487 1.039 . . . . 10.0 111.859 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.65 -45.1 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.277 0.944 . . . . 10.0 110.638 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.1 -50.72 72.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.699 0.681 . . . . 10.0 112.603 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.808 0.843 . . . . 10.0 112.989 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.612 ' HG ' HD11 ' B' ' 657' ' ' ILE . 1.8 tt -59.98 -50.69 72.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.553 1.141 . . . . 10.0 110.324 170.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.55 -43.13 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.158 0.983 . . . . 10.0 113.013 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -62.83 -40.0 96.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.251 0.932 . . . . 10.0 112.981 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.42 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -65.45 -42.2 92.59 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.737 -0.602 . . . . 10.0 111.716 173.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 77.3 mt -61.47 -44.96 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.606 1.162 . . . . 10.0 111.415 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -144.72 112.02 4.93 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.455 0.702 . . . . 10.0 110.383 169.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -57.02 -10.12 5.35 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.602 3.535 . . . . 10.0 117.506 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.6 148.79 0.12 Allowed Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 127.764 2.425 . . . . 10.0 113.67 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -85.57 -35.97 0.14 Allowed 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.636 2.891 . . . . 10.0 112.969 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -158.89 155.65 25.09 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 128.858 2.863 . . . . 10.0 108.773 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.39 -17.5 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.799 2.333 . . . . 10.0 113.648 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.21 71.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.709 0.804 . . . . 10.0 113.039 169.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.28 -35.22 80.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.312 -0.868 . . . . 10.0 112.201 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.36 -8.17 8.21 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.156 1.383 . . . . 10.0 113.81 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -119.1 15.04 13.21 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.019 2.128 . . . . 10.0 112.185 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -116.31 142.31 47.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.786 1.635 . . . . 10.0 111.561 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -20.84 59.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -177.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -67.23 -41.08 86.3 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.497 1.044 . . . . 10.0 111.827 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.6 tpt -74.62 -31.07 61.87 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.817 0.847 . . . . 10.0 112.006 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.04 -31.54 63.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.153 -0.967 . . . . 10.0 113.581 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.02 -44.25 94.72 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.369 -0.832 . . . . 10.0 111.914 171.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.24 -42.99 78.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.066 0.946 . . . . 10.0 111.446 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.25 -43.33 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.393 1.077 . . . . 10.0 111.865 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.27 68.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.702 1.201 . . . . 10.0 112.963 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.478 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.34 -42.34 95.48 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.073 0.851 . . . . 10.0 111.322 172.597 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.13 86.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.398 -0.81 . . . . 10.0 111.388 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.49 -43.34 89.0 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.618 1.099 . . . . 10.0 112.754 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.35 -49.4 77.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.556 1.142 . . . . 10.0 111.953 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.78 -38.46 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 122.959 0.504 . . . . 10.0 111.874 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.18 -42.05 72.7 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.701 1.137 . . . . 10.0 111.477 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.28 -31.54 80.85 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.378 0.989 . . . . 10.0 114.12 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.5 -37.13 60.36 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.822 1.311 . . . . 10.0 111.757 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 26.3 mmt -65.33 -41.54 93.87 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.269 1.027 . . . . 10.0 110.958 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.61 -44.69 95.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.471 1.509 . . . . 10.0 112.933 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.0 -29.78 70.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.259 -0.901 . . . . 10.0 112.574 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.7 t -76.66 -40.1 50.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.993 0.917 . . . . 10.0 113.183 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -67.83 136.95 54.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -79.25 -14.72 58.86 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.054 1.741 . . . . 10.0 113.338 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 59.7 p -152.98 164.19 38.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.613 1.565 . . . . 10.0 111.774 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -58.81 -41.7 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.459 0.703 . . . . 10.0 112.248 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -71.44 -32.47 68.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.899 0.48 . . . . 10.0 111.992 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.28 -39.51 82.09 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.453 -0.779 . . . . 10.0 111.824 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.48 -52.09 66.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.772 0.829 . . . . 10.0 111.336 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 650' ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' ' 303' ' ' MET . 0.9 OUTLIER -51.97 -48.75 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 170.345 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -62.08 -40.05 94.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.15 0.58 . . . . 10.0 112.27 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.07 -41.91 90.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.488 1.115 . . . . 10.0 112.686 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.56 -48.17 81.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.768 0.713 . . . . 10.0 111.424 171.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.05 -30.06 66.13 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.26 -43.65 94.17 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.178 -0.952 . . . . 10.0 111.498 170.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -58.23 -38.97 77.88 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 10.0 112.23 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.612 HD11 ' HG ' ' B' ' 607' ' ' LEU . 18.8 mm -66.71 -45.31 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.797 -0.565 . . . . 10.0 112.447 174.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.0 -48.79 80.24 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.125 0.875 . . . . 10.0 111.721 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -54.38 11.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.299 2.239 . . . . 10.0 112.045 173.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.58 -51.55 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.339 0.655 . . . . 10.0 111.085 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.51 -47.79 80.25 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.922 -0.486 . . . . 10.0 112.309 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 662' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.2 mmpt? -71.14 -32.3 68.79 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.49 0.716 . . . . 10.0 112.88 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.36 -48.64 64.25 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.493 0.317 . . . . 10.0 111.611 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.11 -32.88 74.8 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.934 -1.104 . . . . 10.0 112.875 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -62.61 -6.81 3.82 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -108.23 -49.71 3.15 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.817 1.647 . . . . 10.0 110.984 169.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -67.36 -14.17 62.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.608 1.336 . . . . 10.0 114.608 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -117.52 4.47 12.43 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.685 1.994 . . . . 10.0 112.94 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -62.17 -15.27 44.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.698 1.599 . . . . 10.0 114.063 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 31.5 p -60.99 -20.65 62.7 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.39 1.876 . . . . 10.0 114.722 170.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -65.55 104.64 1.04 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.467 1.107 . . . . 10.0 111.11 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 65.6 mt . . . . . 0 C--O 1.254 1.311 0 C-N-CA 125.617 1.567 . . . . 10.0 112.861 178.1 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.945 0.402 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -150.03 152.54 35.02 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.18 1.392 . . . . 10.0 111.57 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -68.68 -15.84 63.64 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 76.37 -164.21 53.33 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 119.279 0.945 . . . . 10.0 113.57 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -140.41 121.92 15.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.858 1.263 . . . . 10.0 111.103 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 47.1 mt -74.63 -18.05 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.159 1.384 . . . . 10.0 113.424 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.4 tp -128.22 77.85 76.31 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.173 1.789 . . . . 10.0 109.294 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.478 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 41.8 Cg_exo -41.62 134.94 3.4 Favored 'Trans proline' 0 C--N 1.352 0.722 1 C-N-CA 126.202 4.601 . . . . 10.0 114.013 177.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.5 m -55.04 -37.07 66.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.319 1.599 . . . . 10.0 115.319 -169.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.56 -37.66 82.99 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.704 0.684 . . . . 10.0 112.768 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.95 -43.05 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.883 0.873 . . . . 10.0 110.654 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 61.7 ttp -54.46 -51.8 63.86 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.447 0.699 . . . . 10.0 110.509 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -55.07 -38.71 68.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.394 1.478 . . . . 10.0 113.668 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -64.75 -52.54 56.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.098 0.959 . . . . 10.0 111.721 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.46 -39.99 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.436 -0.79 . . . . 10.0 111.621 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.93 -34.52 78.31 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.331 -0.856 . . . . 10.0 112.908 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -80.04 -31.91 39.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.9 1.074 . . . . 10.0 113.9 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -73.82 -41.06 62.86 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 18.9 p -68.56 -36.17 7.95 Favored Pre-proline 0 N--CA 1.476 0.852 0 N-CA-C 116.797 2.147 . . . . 10.0 116.797 -171.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -80.24 66.16 8.83 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 124.114 3.209 . . . . 10.0 111.655 173.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 75.1 p -62.76 17.84 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 128.281 2.632 . . . . 10.0 117.521 -174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 89.8 mtp -64.72 150.9 46.42 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.473 -1.392 . . . . 10.0 112.54 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -131.74 -2.5 3.74 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.092 1.357 . . . . 10.0 114.194 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.22 156.01 37.38 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.192 0.997 . . . . 10.0 113.018 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 56.6 tp -152.18 -46.68 0.1 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.135 0.974 . . . . 10.0 113.608 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 173.54 40.28 0.04 OUTLIER Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.392 0.917 . . . . 10.0 115.392 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -70.1 166.19 20.38 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.984 0.914 . . . . 10.0 113.188 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 9.2 t -142.52 70.5 21.03 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.17 1.388 . . . . 10.0 110.984 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.23 168.7 23.43 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.83 3.02 . . . . 10.0 112.99 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -72.79 -8.3 54.83 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.325 1.232 . . . . 10.0 114.325 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.254 1.324 0 C-N-CA 127.172 2.189 . . . . 10.0 114.689 -176.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 111.743 0.275 . . . . 10.0 111.743 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -32.43 -57.05 0.34 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 129.625 3.17 . . . . 10.0 116.237 -169.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -65.5 -58.2 6.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.369 0.668 . . . . 10.0 112.067 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -60.9 -32.92 72.37 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.874 0.87 . . . . 10.0 112.574 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 6.1 mm -54.54 -55.7 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.405 1.002 . . . . 10.0 110.719 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -69.59 -41.63 75.53 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.072 0.549 . . . . 10.0 111.741 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -52.42 -48.2 65.89 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.88 1.672 . . . . 10.0 112.329 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.9 tp -77.47 -37.98 50.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.515 0.726 . . . . 10.0 112.715 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.71 -40.96 92.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.457 -0.777 . . . . 10.0 112.04 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.92 -34.49 74.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.528 1.531 . . . . 10.0 113.175 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.2 mt -58.62 -36.14 73.58 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.598 0.759 . . . . 10.0 112.799 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.59 -53.44 7.19 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.644 0.656 . . . . 10.0 110.219 168.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 38.0 ttm -55.13 -29.46 57.76 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.558 1.143 . . . . 10.0 114.063 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -58.31 -25.09 61.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.467 1.284 . . . . 10.0 114.467 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.4 m -59.59 -39.15 83.2 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.585 1.084 . . . . 10.0 113.605 -172.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.18 -24.22 66.6 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.38 0.882 . . . . 10.0 113.38 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -80.02 -45.3 18.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.509 1.123 . . . . 10.0 111.689 170.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.08 -38.7 71.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.269 1.028 . . . . 10.0 112.918 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.3 mp -77.4 -3.62 41.13 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.009 1.485 . . . . 10.0 115.009 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.98 -28.95 69.38 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.083 1.31 . . . . 10.0 113.885 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 157.82 165.47 15.44 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.056 0.836 . . . . 10.0 114.795 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.06 -13.07 0.22 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.914 1.449 . . . . 10.0 114.914 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -145.85 58.46 1.24 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.55 1.54 . . . . 10.0 109.825 173.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -62.33 -24.17 67.18 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.002 1.112 . . . . 10.0 114.002 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 C--O 1.254 1.321 0 C-N-CA 126.22 1.808 . . . . 10.0 111.589 172.287 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 112.242 -0.343 . . . . 10.0 112.242 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 39.0 t -130.59 -28.43 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 124.797 1.239 . . . . 10.0 112.722 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -148.49 159.9 43.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.782 1.633 . . . . 10.0 111.189 -173.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -50.33 -45.43 54.89 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.027 1.731 . . . . 10.0 114.654 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 73.83 -50.8 1.88 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 126.043 1.782 . . . . 10.0 115.372 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.2 p-90 -61.43 -19.78 62.35 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -60.63 -24.84 65.84 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.856 1.262 . . . . 10.0 112.68 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.74 -5.32 39.96 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.956 1.302 . . . . 10.0 113.572 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -114.68 20.15 15.48 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.928 2.091 . . . . 10.0 112.214 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.46 134.51 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.508 1.923 . . . . 10.0 109.357 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 80.5 p -100.29 159.11 15.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.448 1.099 . . . . 10.0 111.4 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.53 -35.84 76.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.403 -0.81 . . . . 10.0 111.532 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.49 -37.62 88.0 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.652 -0.655 . . . . 10.0 112.414 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 40.1 tp -63.46 -46.89 84.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.91 -0.567 . . . . 10.0 111.336 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -55.81 -50.63 69.98 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.044 0.838 . . . . 10.0 111.789 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.5 m -56.82 -53.56 56.41 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.018 0.927 . . . . 10.0 112.728 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.86 -38.62 86.69 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.958 -0.544 . . . . 10.0 111.896 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.23 -44.39 95.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.441 -1.266 . . . . 10.0 112.07 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.9 -49.03 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 120.576 1.535 . . . . 10.0 110.747 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -41.78 69.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.602 0.761 . . . . 10.0 112.829 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -82.62 -30.91 29.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.829 0.851 . . . . 10.0 113.018 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.544 ' HG ' HD11 ' B' ' 657' ' ' ILE . 3.6 tp -58.72 -47.92 82.94 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.386 1.074 . . . . 10.0 108.42 169.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 54.7 t -54.8 -45.65 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 10.0 112.264 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -62.37 -39.62 93.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.974 1.261 . . . . 10.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -73.0 -29.23 62.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 53.4 mt -68.28 -55.06 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.598 -0.689 . . . . 10.0 109.834 170.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 612' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 8.6 t80 -150.14 118.49 3.64 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.482 1.113 . . . . 10.0 110.823 172.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -61.04 -8.42 9.87 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.892 3.062 . . . . 10.0 117.127 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.0 148.72 0.12 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 127.522 2.329 . . . . 10.0 113.472 -172.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -87.47 -37.23 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.466 2.777 . . . . 10.0 112.928 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -160.17 158.07 25.67 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 128.821 2.848 . . . . 10.0 108.976 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.61 -22.87 37.37 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.603 2.202 . . . . 10.0 113.137 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -63.2 -21.66 66.36 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 171.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.28 -50.4 22.41 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.407 -0.808 . . . . 10.0 111.775 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.83 -16.02 64.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.67 -6.01 52.4 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.378 1.871 . . . . 10.0 113.509 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -123.17 153.33 40.18 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.848 1.259 . . . . 10.0 113.538 -171.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -55.55 -31.82 62.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.254 1.422 . . . . 10.0 113.33 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -51.58 -47.25 63.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.587 1.155 . . . . 10.0 112.671 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.6 tpt -81.78 -30.6 32.23 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.675 0.79 . . . . 10.0 112.245 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -55.37 -32.16 62.35 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 113.566 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -56.89 -47.28 80.85 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.864 0.866 . . . . 10.0 112.023 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.94 -40.34 75.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.343 1.457 . . . . 10.0 111.767 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.74 -44.41 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.06 1.344 . . . . 10.0 111.924 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.381 1.072 . . . . 10.0 112.155 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 -45.9 84.57 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.475 1.11 . . . . 10.0 111.548 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.24 99.49 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.742 0.817 . . . . 10.0 112.4 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -44.02 96.54 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.899 0.772 . . . . 10.0 112.312 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.92 -44.3 93.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.914 0.886 . . . . 10.0 112.173 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.4 -51.14 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.758 0.823 . . . . 10.0 110.692 172.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.04 -46.56 71.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.95 0.795 . . . . 10.0 112.213 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.05 90.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.907 0.765 . . . . 10.0 114.108 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.33 -34.91 65.91 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.79 1.295 . . . . 10.0 111.818 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 31.8 mmt -71.71 -39.18 70.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.097 0.959 . . . . 10.0 110.989 174.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -62.41 -48.18 80.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.241 1.417 . . . . 10.0 112.673 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.0 -27.7 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.816 -1.178 . . . . 10.0 113.117 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -79.84 -32.51 40.57 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.045 1.128 . . . . 10.0 114.045 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.33 24.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.781 1.401 . . . . 10.0 114.781 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -116.28 -5.73 11.82 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.741 2.016 . . . . 10.0 112.448 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.3 p -152.54 163.49 39.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.996 1.718 . . . . 10.0 111.579 169.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.22 -41.69 96.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.575 0.75 . . . . 10.0 112.988 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.05 -33.5 75.64 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.25 -39.48 71.61 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.259 -0.901 . . . . 10.0 111.641 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.71 -52.7 64.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.649 1.18 . . . . 10.0 111.738 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -49.86 -47.99 51.43 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -61.39 -41.71 97.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.947 0.794 . . . . 10.0 112.314 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.73 -44.83 88.92 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.956 0.903 . . . . 10.0 112.685 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 61.8 mt -55.8 -54.3 46.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.295 0.952 . . . . 10.0 110.832 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.45 -29.46 69.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.884 0.874 . . . . 10.0 112.511 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.79 -46.91 83.06 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.055 1.298 . . . . 10.0 111.757 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -66.0 -41.1 91.49 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.748 -0.595 . . . . 10.0 110.782 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.544 HD11 ' HG ' ' B' ' 607' ' ' LEU . 15.4 mm -57.86 -40.81 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 123.671 0.788 . . . . 10.0 111.591 169.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.36 -47.31 76.86 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 119.459 1.027 . . . . 10.0 111.397 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -52.0 -59.4 4.4 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.36 0.982 . . . . 10.0 110.485 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 67.0 mt -55.52 -55.38 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.424 0.689 . . . . 10.0 111.416 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -65.62 -51.23 61.16 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.351 -0.843 . . . . 10.0 112.622 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 662' ' ' LYS . . . . . 0.408 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 0.3 OUTLIER -68.79 -39.0 80.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.449 1.1 . . . . 10.0 112.289 -171.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.61 -52.87 59.03 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.549 1.14 . . . . 10.0 111.42 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.7 mp -55.31 -42.14 73.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.451 0.7 . . . . 10.0 112.694 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.66 -15.88 9.02 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.85 1.426 . . . . 10.0 114.85 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -119.45 -34.94 3.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.859 1.059 . . . . 10.0 113.859 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -73.36 -8.04 54.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -115.39 -31.12 6.04 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 119.854 1.206 . . . . 10.0 113.425 169.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -63.05 -30.93 71.98 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.685 1.194 . . . . 10.0 113.613 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 84.3 p -83.78 -5.07 59.11 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.53 10.15 14.44 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.607 1.563 . . . . 10.0 113.142 -170.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--O 1.252 1.198 0 C-N-CA 125.986 1.714 . . . . 10.0 112.771 177.078 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -141.16 31.07 1.76 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.702 1.201 . . . . 10.0 112.281 -174.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -73.12 7.32 2.19 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.893 1.812 . . . . 10.0 115.893 -170.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -50.34 -33.62 24.44 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 120.39 -1.443 . . . . 10.0 115.298 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -64.78 -15.11 61.21 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.624 1.342 . . . . 10.0 114.624 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 27.2 mm -60.39 -27.27 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.125 0.97 . . . . 10.0 113.062 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.5 tp -129.84 83.84 62.76 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.446 1.498 . . . . 10.0 110.139 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.63 143.56 16.07 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 125.247 3.965 . . . . 10.0 113.364 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 45.0 p -58.03 -32.29 67.82 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.61 -45.38 68.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.484 0.713 . . . . 10.0 112.643 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.42 -37.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.081 0.552 . . . . 10.0 109.623 173.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 21.4 ttt -57.38 -55.51 33.81 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.329 -0.857 . . . . 10.0 111.374 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.47 -31.82 70.81 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.4 -57.52 9.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.298 0.639 . . . . 10.0 110.634 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.16 -34.63 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.113 -0.992 . . . . 10.0 113.375 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.37 -40.49 97.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.578 1.536 . . . . 10.0 111.361 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -79.96 -36.66 35.81 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.01 1.724 . . . . 10.0 114.96 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 856' ' ' ASN . . . . . 0.422 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 98.6 m-20 -65.24 -50.87 64.17 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -169.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -47.81 2.42 Favored Pre-proline 0 N--CA 1.476 0.854 0 N-CA-C 114.746 1.388 . . . . 10.0 114.746 -169.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -90.25 -66.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 122.083 1.855 . . . . 10.0 113.725 -170.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 67.4 m -158.81 165.47 34.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.125 2.17 . . . . 10.0 110.764 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -6.07 0.3 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 117.485 2.402 . . . . 10.0 117.485 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -57.84 153.76 13.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.87 1.268 . . . . 10.0 112.545 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -136.26 166.41 23.49 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.408 1.083 . . . . 10.0 113.068 -169.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.71 115.11 6.16 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.769 1.227 . . . . 10.0 110.255 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -172.43 32.07 0.12 Allowed Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.441 1.02 . . . . 10.0 114.518 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.6 -17.19 62.3 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.862 1.265 . . . . 10.0 114.089 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 83.4 p -147.37 167.95 12.39 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.28 1.432 . . . . 10.0 112.701 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -59.25 -7.04 4.49 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 124.415 3.41 . . . . 10.0 116.609 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.15 -10.89 60.25 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.887 1.44 . . . . 10.0 114.887 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.372 1.869 . . . . 10.0 114.509 179.045 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 119.006 -0.521 . . . . 10.0 111.76 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -46.05 -45.04 15.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.682 1.593 . . . . 10.0 114.906 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -54.66 -53.0 60.57 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.355 1.062 . . . . 10.0 112.448 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -38.22 86.61 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.955 0.798 . . . . 10.0 112.243 177.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 4.6 mm -59.86 -48.03 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.645 0.657 . . . . 10.0 110.749 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -64.98 -41.65 95.24 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 119.011 -0.519 . . . . 10.0 111.842 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.98 -46.81 78.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.851 1.26 . . . . 10.0 112.809 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.02 -43.53 98.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 10.0 111.929 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.16 -45.0 74.71 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.319 0.58 . . . . 10.0 111.558 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.22 -23.39 62.0 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.584 1.953 . . . . 10.0 113.1 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.23 -41.58 75.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.509 1.124 . . . . 10.0 112.524 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.32 -50.76 62.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.147 0.43 . . . . 10.0 111.118 169.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 65.3 mtt -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.834 0.854 . . . . 10.0 113.253 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 50.6 m -63.8 -20.17 65.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.172 1.789 . . . . 10.0 114.475 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 63.0 m -58.25 -25.14 61.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.547 1.539 . . . . 10.0 114.834 -171.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.25 -32.17 47.12 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -79.92 -24.91 40.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.535 1.134 . . . . 10.0 113.509 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -79.81 -29.7 40.34 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.651 1.18 . . . . 10.0 113.101 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.01 -25.08 60.66 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.318 1.047 . . . . 10.0 113.462 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.54 -14.22 60.6 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.54 1.936 . . . . 10.0 114.066 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -144.75 31.77 1.75 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.886 1.708 . . . . 10.0 113.213 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -62.99 -19.38 64.27 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.936 1.828 . . . . 10.0 115.936 -175.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -66.77 149.34 50.69 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.202 1.001 . . . . 10.0 113.073 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -144.31 14.31 1.63 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.919 1.288 . . . . 10.0 113.936 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.254 1.302 0 C-N-CA 126.256 1.822 . . . . 10.0 112.615 -178.156 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 112.082 -0.407 . . . . 10.0 112.082 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.8 t -131.94 26.19 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 125.777 1.631 . . . . 10.0 111.113 -172.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -54.46 -25.86 27.7 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 116.695 2.109 . . . . 10.0 116.695 -169.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -110.46 4.78 20.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.07 1.348 . . . . 10.0 113.293 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 79.74 -45.15 2.87 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.912 1.72 . . . . 10.0 115.487 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -66.31 -9.96 38.04 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.54 -25.51 64.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.079 1.352 . . . . 10.0 113.32 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.54 -20.84 49.74 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -86.41 2.96 45.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.687 1.195 . . . . 10.0 113.548 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.85 158.19 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.932 1.693 . . . . 10.0 111.121 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 5.4 t -139.31 158.99 43.2 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.339 1.856 . . . . 10.0 110.36 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -56.61 -31.25 64.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.952 0.901 . . . . 10.0 112.522 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.13 -40.35 95.63 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.857 0.863 . . . . 10.0 112.651 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.7 -51.09 62.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.346 1.059 . . . . 10.0 110.962 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -60.76 -40.26 91.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.806 0.842 . . . . 10.0 112.881 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.6 m -55.74 -49.46 73.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.062 0.945 . . . . 10.0 112.044 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.15 -36.2 71.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.614 0.766 . . . . 10.0 112.308 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.17 -44.88 95.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.439 -0.791 . . . . 10.0 112.307 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.11 -49.61 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.402 1.001 . . . . 10.0 110.388 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -45.72 73.18 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.271 0.628 . . . . 10.0 112.477 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.0 -40.83 52.86 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.386 1.474 . . . . 10.0 113.181 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.79 -47.72 76.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.674 1.59 . . . . 10.0 109.023 169.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.24 -38.78 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 117.938 -1.029 . . . . 10.0 113.65 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -60.31 -39.54 87.36 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.721 1.6 . . . . 10.0 112.898 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.92 72.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.687 -0.633 . . . . 10.0 112.707 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.6 mt -65.71 -43.66 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.322 1.049 . . . . 10.0 111.201 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -146.67 109.35 4.12 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.73 0.812 . . . . 10.0 111.003 170.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -60.39 -8.37 8.56 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.391 3.394 . . . . 10.0 117.307 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 43.1 p 66.2 152.6 0.12 Allowed Pre-proline 0 N--CA 1.486 1.331 0 C-N-CA 128.935 2.894 . . . . 10.0 115.567 -174.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.85 -28.21 3.44 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.833 2.355 . . . . 10.0 112.097 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -159.88 159.52 27.34 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 126.772 2.029 . . . . 10.0 110.872 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.31 -7.39 19.64 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.656 2.238 . . . . 10.0 115.02 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -90.16 -26.31 20.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.89 1.223 . . . . 10.0 112.211 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.82 64.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.612 1.096 . . . . 10.0 112.734 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 51.5 mt -54.91 -32.69 61.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.11 1.364 . . . . 10.0 113.98 171.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -87.12 -12.17 47.89 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.943 1.297 . . . . 10.0 113.833 -170.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -102.94 159.91 15.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.638 0.977 . . . . 10.0 113.638 -173.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.61 54.14 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.218 1.807 . . . . 10.0 113.245 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -52.47 -30.9 32.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.945 1.298 . . . . 10.0 113.856 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.4 tpt -96.2 -35.69 11.2 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.616 1.166 . . . . 10.0 112.16 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -56.54 -29.29 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.255 -0.903 . . . . 10.0 113.087 173.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -57.78 -43.34 85.48 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.226 -0.921 . . . . 10.0 113.108 171.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.52 -45.94 61.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.686 1.194 . . . . 10.0 111.017 174.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.77 -41.18 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.104 0.962 . . . . 10.0 112.265 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.47 96.01 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.788 1.235 . . . . 10.0 112.772 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.466 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.68 -41.84 91.98 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.574 -0.704 . . . . 10.0 111.094 172.145 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.88 86.88 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.132 -0.98 . . . . 10.0 113.147 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -61.9 -45.87 91.84 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.37 0.987 . . . . 10.0 111.933 171.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.84 -44.79 93.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.353 1.061 . . . . 10.0 112.11 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.24 -47.69 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.697 0.799 . . . . 10.0 111.337 174.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -52.22 -52.11 54.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.648 1.113 . . . . 10.0 111.629 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.89 -12.39 42.26 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.488 1.042 . . . . 10.0 115.428 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.98 -36.83 7.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 10.0 111.944 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.6 mmt -64.1 -39.2 93.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.851 . . . . 10.0 110.939 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.4 -24.07 66.25 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.401 1.88 . . . . 10.0 113.588 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -104.16 10.04 35.99 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.432 1.493 . . . . 10.0 113.137 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.1 m -118.4 11.68 13.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.083 1.353 . . . . 10.0 113.441 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.47 143.32 50.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.892 1.277 . . . . 10.0 113.147 -171.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -10.07 57.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.748 1.219 . . . . 10.0 113.62 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 76.8 p -151.91 163.55 39.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.119 1.368 . . . . 10.0 112.249 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -59.6 -39.78 85.3 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.134 0.974 . . . . 10.0 112.259 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.73 -42.11 99.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.467 1.107 . . . . 10.0 112.631 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.07 -37.15 78.34 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.322 -0.861 . . . . 10.0 112.251 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.26 -50.43 73.63 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.25 -0.907 . . . . 10.0 111.895 171.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -53.13 -47.79 68.41 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.38 -41.21 88.81 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.758 0.708 . . . . 10.0 112.223 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.25 -40.2 90.02 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.002 -0.999 . . . . 10.0 112.94 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.2 -48.99 79.55 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.569 1.077 . . . . 10.0 110.518 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.33 -29.25 69.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.165 1.386 . . . . 10.0 113.005 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.4 -42.4 87.9 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.482 1.113 . . . . 10.0 112.586 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -38.8 87.04 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.295 0.952 . . . . 10.0 111.168 174.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.9 mm -54.92 -52.39 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.249 1.02 . . . . 10.0 111.257 170.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -59.8 -45.89 90.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.718 0.807 . . . . 10.0 112.408 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -52.62 -57.28 10.53 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.909 0.777 . . . . 10.0 110.677 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 78.5 mt -56.79 -47.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.33 0.652 . . . . 10.0 111.063 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -60.98 -50.96 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 662' ' ' LYS . . . . . 0.488 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.7 mmpt? -71.98 -31.05 65.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.493 1.117 . . . . 10.0 113.305 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.15 -33.89 63.67 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.638 0.775 . . . . 10.0 112.931 175.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.7 mp -89.61 -44.62 9.94 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.27 -44.69 75.87 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.107 1.322 . . . . 10.0 113.519 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.57 -42.09 92.16 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.53 -0.731 . . . . 10.0 112.571 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -78.08 -7.88 57.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.803 1.241 . . . . 10.0 113.642 -177.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -116.28 -4.32 11.89 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.704 2.002 . . . . 10.0 113.335 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -135.39 37.19 2.94 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.098 1.759 . . . . 10.0 111.56 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 8.7 m -61.86 -17.21 55.64 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.057 1.873 . . . . 10.0 116.057 -169.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -149.45 -54.69 0.17 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.358 1.463 . . . . 10.0 111.597 171.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.83 2.452 . . . . 10.0 109.145 173.082 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -63.87 -18.86 64.6 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.378 1.251 . . . . 10.0 114.378 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -73.22 -14.39 61.33 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.5 1.12 . . . . 10.0 113.997 173.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 80.41 173.35 46.32 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.893 1.235 . . . . 10.0 113.785 -173.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -145.89 -38.53 0.24 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.453 1.279 . . . . 10.0 114.453 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 28.5 mm -83.14 -26.55 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.071 0.948 . . . . 10.0 112.277 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 28.4 tp -150.88 72.93 8.75 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.035 1.734 . . . . 10.0 108.197 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.466 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 32.2 Cg_exo -40.7 124.8 1.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 1 C-N-CA 125.746 4.297 . . . . 10.0 113.928 175.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.2 m -57.92 -37.31 73.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.76 -36.11 79.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.689 0.796 . . . . 10.0 112.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.21 -43.69 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.767 0.827 . . . . 10.0 109.61 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 65.0 ttp -53.35 -49.91 66.13 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.63 1.172 . . . . 10.0 111.395 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.84 -39.63 65.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.444 0.698 . . . . 10.0 112.691 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.57 -44.19 78.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.75 0.82 . . . . 10.0 112.193 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.0 t -58.59 -46.85 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.726 1.148 . . . . 10.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.28 -39.65 94.35 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.858 0.754 . . . . 10.0 112.356 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.42 -34.2 63.17 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.362 0.875 . . . . 10.0 113.362 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -79.83 -48.71 13.09 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.8 p -56.16 -27.71 3.61 Favored Pre-proline 0 N--CA 1.483 1.176 0 N-CA-C 117.978 2.584 . . . . 10.0 117.978 -169.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -54.19 -15.64 8.33 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.469 2.78 . . . . 10.0 116.086 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 92.3 p -59.42 -23.2 62.45 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 170.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 42.7 tpp -76.4 53.75 0.87 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.351 1.86 . . . . 10.0 111.993 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.33 -18.53 61.67 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.681 1.993 . . . . 10.0 114.969 -170.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -59.36 148.45 32.39 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.291 1.037 . . . . 10.0 112.786 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 45.6 tp -151.92 157.34 41.67 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.833 1.653 . . . . 10.0 110.45 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -158.42 33.7 0.5 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.255 1.407 . . . . 10.0 113.945 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.54 154.72 39.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.721 1.608 . . . . 10.0 110.75 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 69.9 m -136.37 81.91 35.79 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 125.545 1.538 . . . . 10.0 111.303 -174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.19 154.02 11.68 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.137 3.225 . . . . 10.0 114.394 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -140.84 4.4 1.9 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.645 1.35 . . . . 10.0 114.645 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.476 1.91 . . . . 10.0 111.901 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.953 0.406 . . . . 10.0 111.356 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -151.7 -56.61 0.15 Allowed 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.543 -0.723 . . . . 10.0 112.646 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -57.57 -50.11 74.18 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.86 0.755 . . . . 10.0 112.041 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -56.92 -33.84 67.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.903 1.281 . . . . 10.0 113.64 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 47.4 mm -63.1 -46.51 95.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.27 1.028 . . . . 10.0 111.192 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -77.56 -36.6 52.01 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 172.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.58 -50.51 67.83 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.561 1.144 . . . . 10.0 112.09 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.1 tp -61.11 -43.33 99.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.466 1.106 . . . . 10.0 112.087 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.17 -46.31 87.76 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.128 0.571 . . . . 10.0 111.198 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 43.0 tp -72.74 -28.6 62.73 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.833 1.653 . . . . 10.0 113.914 -176.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.54 -44.88 69.56 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.432 1.093 . . . . 10.0 112.54 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.16 -52.07 60.79 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.517 0.599 . . . . 10.0 111.899 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.3 mtm -58.57 -24.28 60.48 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.949 1.092 . . . . 10.0 113.949 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 35.3 m -76.38 -19.93 57.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.026 1.33 . . . . 10.0 114.558 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.9 m -53.82 -37.97 64.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.334 1.605 . . . . 10.0 115.334 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -59.06 -21.33 58.98 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -79.96 -30.31 39.79 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.839 0.856 . . . . 10.0 112.984 169.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.1 -19.78 46.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.227 1.811 . . . . 10.0 114.262 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -10.76 0.3 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 117.5 2.408 . . . . 10.0 117.5 -169.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -71.21 34.3 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 126.052 1.741 . . . . 10.0 113.315 170.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -85.33 -172.01 48.67 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 126.182 1.848 . . . . 10.0 114.213 -177.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -141.31 173.34 11.59 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.757 1.623 . . . . 10.0 111.803 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -130.48 163.2 27.51 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.872 1.669 . . . . 10.0 110.917 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -135.7 23.32 3.37 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.23 1.412 . . . . 10.0 112.981 -173.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.903 2.081 . . . . 10.0 113.345 -174.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.412 -0.675 . . . . 10.0 111.412 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 48.6 t -138.64 142.98 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 125.962 1.705 . . . . 10.0 108.983 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -138.14 156.22 47.96 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.437 1.495 . . . . 10.0 111.916 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -67.35 166.64 14.01 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.771 1.229 . . . . 10.0 112.438 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 177.4 -29.24 0.07 OUTLIER Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.223 0.916 . . . . 10.0 114.781 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -62.2 -14.0 33.35 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.583 1.697 . . . . 10.0 115.583 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -57.59 -27.7 62.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.34 . . . . 10.0 113.641 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.45 -18.09 36.58 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -77.19 -1.2 28.23 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.694 1.198 . . . . 10.0 114.009 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.42 153.89 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.061 1.744 . . . . 10.0 110.6 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 76.9 p -127.45 158.74 36.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.951 1.701 . . . . 10.0 111.177 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -58.29 -31.89 67.9 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.571 -0.706 . . . . 10.0 112.555 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -63.33 -44.48 94.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.826 0.85 . . . . 10.0 112.051 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.33 -45.33 84.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.875 -0.583 . . . . 10.0 111.408 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -54.8 -47.6 73.8 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.215 0.916 . . . . 10.0 111.962 174.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 63.8 m -59.17 -49.43 77.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.577 1.151 . . . . 10.0 112.271 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -66.07 -44.03 85.67 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.443 0.697 . . . . 10.0 111.502 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.86 -38.51 91.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 117.787 -1.101 . . . . 10.0 112.982 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 21.6 t -54.71 -50.96 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.153 1.342 . . . . 10.0 111.133 170.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -64.88 -41.83 95.3 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.927 -0.483 . . . . 10.0 112.219 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.33 -33.94 77.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 10.0 112.87 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.482 ' HA ' HD11 ' B' ' 657' ' ' ILE . 2.4 tp -57.26 -54.74 43.36 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.483 1.113 . . . . 10.0 109.25 169.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.41 -45.18 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.957 1.303 . . . . 10.0 112.887 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -64.27 -33.87 76.81 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.63 70.41 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.749 0.704 . . . . 10.0 111.129 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 62.1 mt -58.91 -46.71 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.305 1.042 . . . . 10.0 110.863 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 612' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 0.6 OUTLIER -142.43 100.91 5.65 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.093 0.957 . . . . 10.0 110.446 171.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -62.84 95.64 0.16 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.177 3.252 . . . . 10.0 109.971 168.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.5 t -50.51 142.64 15.13 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.848 1.659 . . . . 10.0 113.785 -170.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.402 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 11.6 Cg_exo -62.07 -42.02 32.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.401 2.734 . . . . 10.0 111.37 174.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -155.19 162.44 27.25 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.059 2.144 . . . . 10.0 109.989 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.65 -21.71 51.6 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.404 2.07 . . . . 10.0 111.837 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.77 -16.0 62.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.357 1.463 . . . . 10.0 114.65 170.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -92.57 -22.92 19.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.033 0.933 . . . . 10.0 112.886 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.29 -28.76 68.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.501 1.12 . . . . 10.0 113.47 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.83 -4.86 56.18 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.712 1.375 . . . . 10.0 114.712 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.96 132.86 48.79 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.478 1.035 . . . . 10.0 110.509 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.98 -35.89 26.1 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -69.6 -36.95 76.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.558 1.143 . . . . 10.0 112.22 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.5 tpt -70.28 -37.34 74.84 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.947 0.499 . . . . 10.0 111.32 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.27 -34.95 77.55 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.175 -0.953 . . . . 10.0 113.168 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.47 -39.25 85.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.272 -0.892 . . . . 10.0 111.894 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 17.9 tp -61.45 -49.02 78.52 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.29 0.95 . . . . 10.0 111.16 170.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.5 t -51.53 -43.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.096 1.358 . . . . 10.0 112.442 173.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.17 73.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.46 1.104 . . . . 10.0 113.051 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -62.95 -42.74 99.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.556 -0.715 . . . . 10.0 111.27 174.4 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.63 82.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.974 0.91 . . . . 10.0 111.721 172.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.05 -48.16 80.95 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 119.856 1.207 . . . . 10.0 112.852 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.92 -45.87 92.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.057 0.943 . . . . 10.0 112.128 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.97 -33.02 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.763 -0.636 . . . . 10.0 112.097 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -44.22 76.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.388 1.449 . . . . 10.0 111.42 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.81 -26.93 73.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 123.938 0.78 . . . . 10.0 114.429 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.77 -36.27 28.68 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.722 1.261 . . . . 10.0 111.86 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.24 -37.65 87.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.573 1.149 . . . . 10.0 111.04 172.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -62.52 -49.76 74.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.201 1.401 . . . . 10.0 112.611 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.45 -22.11 64.6 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.766 -1.208 . . . . 10.0 114.154 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.5 m -76.09 -24.42 55.02 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.02 156.22 19.84 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.109 1.151 . . . . 10.0 114.109 -170.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -117.47 -3.62 11.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.069 2.148 . . . . 10.0 112.041 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 62.3 p -152.46 162.76 40.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.91 1.684 . . . . 10.0 111.876 170.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -59.81 -40.95 90.11 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.484 0.714 . . . . 10.0 112.383 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.307 1.043 . . . . 10.0 112.149 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.94 -39.35 83.46 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.601 -0.687 . . . . 10.0 112.315 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.02 -54.22 49.37 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 10.0 111.832 173.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -51.86 -47.38 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.62 -38.62 91.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.826 0.739 . . . . 10.0 112.419 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.71 -43.41 89.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.528 1.131 . . . . 10.0 112.4 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 53.2 mt -59.13 -48.88 79.97 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.747 0.703 . . . . 10.0 111.436 170.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.13 75.09 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.917 0.887 . . . . 10.0 112.796 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.08 -44.54 84.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.178 0.991 . . . . 10.0 111.96 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -59.82 -44.01 94.25 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.129 0.877 . . . . 10.0 111.616 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' B' ' 607' ' ' LEU . 4.5 mm -60.67 -45.24 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.037 0.935 . . . . 10.0 111.451 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.75 -52.86 62.51 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.546 1.138 . . . . 10.0 111.753 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -50.4 9.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.185 2.194 . . . . 10.0 112.363 172.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.37 -54.94 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.898 0.879 . . . . 10.0 110.512 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.63 -52.73 55.91 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.82 -22.1 62.38 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.887 1.221 . . . . 10.0 113.545 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -76.73 -44.47 33.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.088 0.555 . . . . 10.0 111.79 171.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.6 mp -56.58 -41.73 77.47 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.705 0.802 . . . . 10.0 111.579 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.99 5.36 0.51 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.384 1.474 . . . . 10.0 114.766 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.99 -44.86 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.8 1.24 . . . . 10.0 112.238 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -61.48 -29.14 69.79 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.802 1.183 . . . . 10.0 114.18 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -77.13 -4.51 44.84 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.868 1.267 . . . . 10.0 114.073 173.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -119.71 -32.53 4.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.516 1.926 . . . . 10.0 112.942 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 66.2 m -134.2 101.19 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 126.846 2.058 . . . . 10.0 109.42 -170.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -54.3 -31.01 52.93 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.379 1.472 . . . . 10.0 113.756 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 672' ' ' LEU . . . . . 0.471 ' H ' HD22 ' B' ' 672' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.251 1.159 0 C-N-CA 127.792 2.437 . . . . 10.0 113.453 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 110.68 -0.118 . . . . 10.0 110.68 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -149.81 142.3 24.38 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.196 1.398 . . . . 10.0 111.339 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -156.22 147.92 22.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.088 1.355 . . . . 10.0 111.388 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -60.39 -24.44 61.51 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.265 0.936 . . . . 10.0 114.625 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -61.19 -16.46 45.07 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.931 1.293 . . . . 10.0 114.341 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 17.2 mt -73.6 -19.44 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.953 0.901 . . . . 10.0 112.458 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 41.4 tp -151.4 80.04 6.49 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.093 1.757 . . . . 10.0 108.657 169.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.44 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 99.9 Cg_exo -43.21 134.59 6.15 Favored 'Trans proline' 0 C--N 1.353 0.768 1 C-N-CA 125.901 4.4 . . . . 10.0 113.601 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -59.35 -38.58 80.73 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -172.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.44 -39.68 85.4 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.503 -0.748 . . . . 10.0 112.289 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -69.39 -41.15 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 123.884 0.874 . . . . 10.0 110.696 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 47.7 ttm -53.2 -55.59 23.12 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.931 0.892 . . . . 10.0 110.322 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.96 -42.21 79.71 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.85 -47.67 85.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.994 0.918 . . . . 10.0 112.552 173.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.07 -41.79 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 10.0 111.881 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.5 -33.14 75.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.355 0.979 . . . . 10.0 112.206 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.78 -42.26 50.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.174 0.99 . . . . 10.0 112.83 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 856' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 35.1 m-80 -78.88 -52.41 8.34 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.081 1.141 . . . . 10.0 114.081 -174.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 76.0 p -61.09 -29.34 5.23 Favored Pre-proline 0 N--CA 1.479 1.007 0 N-CA-C 117.862 2.542 . . . . 10.0 117.862 -169.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -66.73 -10.47 28.27 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.817 2.345 . . . . 10.0 116.586 176.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 51.5 m -138.4 161.97 35.62 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -169.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 13.5 tpt -151.72 146.53 25.82 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.414 1.886 . . . . 10.0 110.022 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -66.49 -37.82 85.92 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.918 1.081 . . . . 10.0 113.918 -171.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -157.72 161.15 38.51 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.95 1.3 . . . . 10.0 112.419 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -155.0 161.9 41.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.237 1.815 . . . . 10.0 111.559 173.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 161.87 179.73 36.71 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.461 1.029 . . . . 10.0 113.796 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -76.22 -17.2 59.62 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.23 1.012 . . . . 10.0 113.249 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 60.6 p -153.74 166.24 16.12 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 125.731 1.612 . . . . 10.0 112.6 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.85 -7.79 2.62 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 124.64 3.56 . . . . 10.0 116.471 169.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -132.52 10.19 4.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.312 1.445 . . . . 10.0 112.99 -172.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.75 1.62 . . . . 10.0 113.328 174.262 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 60.8 mttt . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 112.287 0.477 . . . . 10.0 112.287 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -24.57 -62.9 0.05 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 130.476 3.51 . . . . 10.0 116.615 -169.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.85 -57.97 5.95 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.244 0.617 . . . . 10.0 111.978 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -62.16 -31.63 72.16 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.427 1.091 . . . . 10.0 112.645 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 295' ' ' ILE . . . . . 0.409 ' HA ' ' CE1' ' B' ' 658' ' ' TYR . 4.6 mm -54.1 -58.73 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.464 1.029 . . . . 10.0 110.677 171.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -67.3 -39.51 85.97 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.061 0.545 . . . . 10.0 111.679 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.9 -48.26 78.61 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.467 1.507 . . . . 10.0 112.506 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.55 -36.59 63.11 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.532 0.733 . . . . 10.0 112.328 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.73 -41.55 92.09 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.434 -0.791 . . . . 10.0 112.375 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.42 -31.48 72.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.312 1.445 . . . . 10.0 113.142 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 45.7 mt -57.29 -38.41 73.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.738 0.815 . . . . 10.0 112.597 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 39.6 mt -75.39 -53.81 8.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.973 0.806 . . . . 10.0 111.03 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 49.7 ttm -53.65 -35.28 60.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.865 1.266 . . . . 10.0 113.913 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 65.3 m -57.27 -24.57 55.74 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 17.8 m -56.74 -39.37 73.84 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.023 0.829 . . . . 10.0 112.815 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -28.03 69.63 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.401 -0.812 . . . . 10.0 112.917 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -79.95 -42.1 24.69 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.75 0.82 . . . . 10.0 111.484 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.54 -32.76 67.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.189 0.996 . . . . 10.0 112.52 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.41 14.22 10.13 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.36 1.864 . . . . 10.0 113.173 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.12 -43.12 1.33 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.253 1.421 . . . . 10.0 113.685 176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 143.26 -166.3 26.8 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.032 0.825 . . . . 10.0 114.793 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -74.72 51.79 0.49 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.601 1.96 . . . . 10.0 113.114 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -58.87 -17.47 24.31 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.246 1.572 . . . . 10.0 115.246 -173.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -69.96 -15.23 63.01 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.867 1.432 . . . . 10.0 114.867 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.431 1.492 . . . . 10.0 113.332 177.025 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.196 -0.762 . . . . 10.0 111.196 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 31.9 t -140.38 141.81 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.1 1.36 . . . . 10.0 110.345 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -49.96 136.12 19.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.475 1.91 . . . . 10.0 112.318 173.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -131.93 147.51 52.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.767 2.027 . . . . 10.0 109.242 173.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -50.79 -37.32 34.68 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 115.72 1.048 . . . . 10.0 115.72 -169.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -64.19 -20.5 66.06 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.872 1.434 . . . . 10.0 114.872 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -62.97 -28.11 69.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.088 0.955 . . . . 10.0 111.987 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -73.32 -1.03 16.37 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.745 1.618 . . . . 10.0 113.323 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -118.22 20.07 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.836 2.054 . . . . 10.0 112.021 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.78 130.89 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.418 1.887 . . . . 10.0 109.856 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -94.03 158.17 15.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.481 1.112 . . . . 10.0 111.651 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.05 -32.01 70.51 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.503 -0.748 . . . . 10.0 111.777 170.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -43.85 97.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.192 0.997 . . . . 10.0 112.246 174.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -47.93 83.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.165 0.586 . . . . 10.0 111.226 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -56.2 -50.62 70.71 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.633 0.773 . . . . 10.0 112.074 174.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.2 m -59.55 -49.68 76.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.608 1.163 . . . . 10.0 112.255 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.11 -41.88 85.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.72 -0.657 . . . . 10.0 111.329 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.52 -37.97 89.34 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.73 1.15 . . . . 10.0 112.734 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 37.9 t -56.64 -51.23 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.182 1.355 . . . . 10.0 110.666 169.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -36.75 73.15 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.09 -33.23 57.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.232 1.413 . . . . 10.0 112.123 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' B' ' 657' ' ' ILE . 1.7 tp -59.51 -48.45 81.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.791 1.236 . . . . 10.0 110.016 169.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.94 -41.38 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.734 1.214 . . . . 10.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -60.69 -21.99 63.44 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.139 1.163 . . . . 10.0 114.139 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -110.42 15.51 22.16 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.387 1.475 . . . . 10.0 112.479 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.58 -45.2 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.476 1.511 . . . . 10.0 109.431 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 612' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' B' ' 614' ' ' THR . 2.9 t80 -137.23 98.77 10.09 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 124.495 1.118 . . . . 10.0 108.432 169.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -1.67 0.86 Allowed 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 124.74 3.627 . . . . 10.0 116.639 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.433 ' HA ' ' CE1' ' B' ' 612' ' ' PHE 0.259 40.8 p 53.34 150.19 0.04 OUTLIER Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 131.578 3.951 . . . . 10.0 117.739 -173.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.73 -27.47 14.93 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.011 2.474 . . . . 10.0 112.047 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.14 150.12 10.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 128.095 2.558 . . . . 10.0 108.499 -171.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.24 -16.91 53.44 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.17 1.913 . . . . 10.0 113.786 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -70.44 -26.17 63.53 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.9 1.227 . . . . 10.0 113.009 169.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.14 66.63 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.84 -1.163 . . . . 10.0 113.198 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.64 -27.85 69.51 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.845 1.258 . . . . 10.0 112.562 169.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -91.61 -10.08 41.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.536 1.535 . . . . 10.0 113.443 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.85 142.69 57.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.915 0.886 . . . . 10.0 112.185 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -64.74 -21.3 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -27.97 52.13 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.117 0.967 . . . . 10.0 112.609 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -29.8 70.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.753 0.821 . . . . 10.0 112.053 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.53 -28.26 44.22 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.438 1.273 . . . . 10.0 114.438 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -66.79 -42.85 85.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.273 -0.892 . . . . 10.0 111.678 172.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.8 -40.77 79.43 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.307 1.043 . . . . 10.0 111.533 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.0 t -55.39 -49.06 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.348 1.459 . . . . 10.0 111.998 170.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.66 84.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.126 -0.984 . . . . 10.0 112.783 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -58.56 -46.2 87.39 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.243 1.017 . . . . 10.0 111.697 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.95 96.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.529 0.731 . . . . 10.0 111.961 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.47 -43.53 93.22 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.398 0.999 . . . . 10.0 112.672 172.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -60.44 -51.41 69.6 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.953 0.901 . . . . 10.0 111.133 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.57 -49.68 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.24 0.616 . . . . 10.0 111.119 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.79 -44.55 77.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.962 0.905 . . . . 10.0 112.11 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.24 93.24 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.958 0.789 . . . . 10.0 113.826 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.6 -33.09 68.72 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.92 1.36 . . . . 10.0 112.063 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.8 mmt -73.01 -40.15 65.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.413 1.085 . . . . 10.0 111.196 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -64.12 -48.37 76.35 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.293 1.437 . . . . 10.0 113.643 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.29 -13.82 42.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.875 1.435 . . . . 10.0 114.875 -174.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -126.73 -8.26 6.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.999 1.851 . . . . 10.0 115.999 -169.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 140.29 44.95 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.707 1.14 . . . . 10.0 112.604 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.09 -26.14 65.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.802 1.241 . . . . 10.0 113.743 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 92.4 p -150.24 166.34 30.21 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.596 1.558 . . . . 10.0 111.883 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -60.54 -40.65 92.32 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.813 0.845 . . . . 10.0 112.467 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.86 -44.1 94.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.148 0.979 . . . . 10.0 112.781 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.28 -36.88 80.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.379 -0.825 . . . . 10.0 112.131 175.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.13 -51.79 68.5 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 111.515 172.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -51.97 -48.05 64.54 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -62.51 -41.59 98.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.345 0.521 . . . . 10.0 112.145 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 48.8 mt -63.87 -45.38 89.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.403 1.081 . . . . 10.0 112.702 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 38.3 mt -54.57 -53.55 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.859 0.754 . . . . 10.0 110.321 171.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.89 74.25 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.959 0.904 . . . . 10.0 113.045 -175.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.13 -46.58 77.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.412 1.085 . . . . 10.0 111.606 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.588 -0.695 . . . . 10.0 111.448 171.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.543 HD11 ' HG ' ' B' ' 607' ' ' LEU . 6.2 mm -57.83 -39.01 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.66 0.784 . . . . 10.0 112.539 170.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 658' ' ' TYR . . . . . 0.409 ' CE1' ' HA ' ' A' ' 295' ' ' ILE . 4.1 t80 -64.75 -48.5 74.33 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.285 0.948 . . . . 10.0 110.849 173.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -46.72 38.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.469 1.508 . . . . 10.0 112.921 171.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 46.4 mm -70.49 -58.7 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 119.672 1.124 . . . . 10.0 112.297 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -72.66 -41.69 65.14 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -39.44 93.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.258 0.935 . . . . 10.0 111.581 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.5 -48.14 82.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.138 0.575 . . . . 10.0 111.573 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.52 -39.34 70.41 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.049 0.84 . . . . 10.0 112.18 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.94 -10.62 14.25 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.213 1.56 . . . . 10.0 115.213 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -133.85 -22.68 1.84 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -98.55 -1.14 41.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.657 1.583 . . . . 10.0 113.345 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.03 -6.42 2.36 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.233 1.413 . . . . 10.0 114.666 173.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -126.83 31.71 5.26 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.386 1.874 . . . . 10.0 111.256 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 5.0 m -61.48 89.15 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.377 2.671 . . . . 10.0 113.135 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -118.22 15.69 14.02 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.591 1.956 . . . . 10.0 112.778 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 C-N-CA 128.102 2.561 . . . . 10.0 113.095 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 111.541 0.2 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.66 -15.26 51.33 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.659 1.726 . . . . 10.0 115.659 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -129.85 27.56 5.17 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.429 1.892 . . . . 10.0 111.408 173.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -165.71 75.47 0.15 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.88 1.705 . . . . 10.0 111.626 -170.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -142.56 151.64 41.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.51 1.524 . . . . 10.0 111.026 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 2.1 mt -126.49 10.0 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.168 1.787 . . . . 10.0 111.105 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 18.9 tp -137.77 77.88 37.75 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.395 1.478 . . . . 10.0 109.581 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.47 138.85 18.09 Favored 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.772 4.315 . . . . 10.0 113.784 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 36.8 m -58.38 -36.83 74.11 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.916 1.45 . . . . 10.0 114.916 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.97 -41.26 78.15 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.489 -0.757 . . . . 10.0 112.561 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.6 -42.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.237 1.015 . . . . 10.0 110.027 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 50.8 ttp -58.01 -54.27 48.88 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.996 0.918 . . . . 10.0 111.18 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.68 -39.8 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.1 0.864 . . . . 10.0 113.112 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -64.69 -46.31 82.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.178 0.591 . . . . 10.0 112.294 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.87 -45.64 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.542 -0.724 . . . . 10.0 111.476 172.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.78 -32.46 73.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.322 0.965 . . . . 10.0 112.894 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -69.51 -47.95 62.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.288 1.035 . . . . 10.0 111.836 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -80.06 -39.6 29.44 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.659 1.726 . . . . 10.0 115.659 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 64.0 p -80.06 -9.92 0.14 Allowed Pre-proline 0 N--CA 1.485 1.288 0 N-CA-C 120.203 3.409 . . . . 10.0 120.203 -170.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.21 163.4 1.6 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 123.746 2.964 . . . . 10.0 117.104 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 9.4 t -135.39 33.98 3.02 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.332 1.853 . . . . 10.0 111.496 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -148.18 178.44 8.56 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.703 1.601 . . . . 10.0 112.175 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -136.04 141.77 44.34 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.487 1.515 . . . . 10.0 109.969 175.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -61.55 155.46 22.11 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.753 0.821 . . . . 10.0 112.994 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 94.2 mt -142.05 166.19 25.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.048 2.139 . . . . 10.0 110.206 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -169.94 25.34 0.1 Allowed Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.479 0.952 . . . . 10.0 115.479 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -75.96 -15.78 60.11 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.188 0.994 . . . . 10.0 113.582 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 31.3 m -64.19 151.79 89.65 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.505 1.522 . . . . 10.0 113.713 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.44 169.29 20.13 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.534 2.823 . . . . 10.0 112.451 171.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.52 1.42 3.41 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.441 1.496 . . . . 10.0 114.464 -173.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.046 2.139 . . . . 10.0 111.676 179.1 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.89 -158.44 0.69 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.624 0.769 . . . . 10.0 111.518 -171.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -46.23 -33.86 3.98 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.733 1.753 . . . . 10.0 115.733 -173.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -53.23 -32.1 46.58 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.616 1.166 . . . . 10.0 113.63 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.66 -52.32 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.959 0.903 . . . . 10.0 110.81 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -63.7 -39.23 93.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.187 0.595 . . . . 10.0 111.527 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.93 -52.0 65.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.397 1.479 . . . . 10.0 112.043 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.39 -43.33 99.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.794 1.238 . . . . 10.0 112.161 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.52 -45.68 78.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.366 1.066 . . . . 10.0 112.325 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.01 -26.76 63.26 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.229 1.812 . . . . 10.0 113.272 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.63 -41.92 67.22 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.965 0.906 . . . . 10.0 113.213 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 302' ' ' LEU . . . . . 0.4 ' HA ' ' HE3' ' B' ' 606' ' ' LYS . 11.9 mt -61.38 -54.93 37.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.687 0.795 . . . . 10.0 111.968 170.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.02 -26.89 66.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.553 1.541 . . . . 10.0 113.771 -171.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 83.2 p -58.61 -25.95 63.17 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.811 1.412 . . . . 10.0 114.811 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.6 m -59.55 -38.28 80.66 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.515 1.126 . . . . 10.0 113.849 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -63.2 -38.63 91.95 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.172 -0.955 . . . . 10.0 112.271 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -65.24 -33.93 77.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.317 1.047 . . . . 10.0 112.463 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.74 -35.83 72.86 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.452 0.701 . . . . 10.0 112.828 174.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.83 -57.08 3.03 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.161 0.984 . . . . 10.0 113.508 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -140.84 -1.72 1.39 Allowed 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 115.963 1.838 . . . . 10.0 115.963 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -89.53 17.73 50.52 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.701 1.143 . . . . 10.0 113.533 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -63.19 -24.99 68.13 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.86 1.664 . . . . 10.0 114.514 -170.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -145.06 167.1 23.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.262 1.825 . . . . 10.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -67.98 -18.21 64.66 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.62 0.97 . . . . 10.0 113.62 169.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.253 1.239 0 C-N-CA 127.215 2.206 . . . . 10.0 111.299 -179.484 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 111.783 -0.527 . . . . 10.0 111.783 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 91.1 t -136.86 114.89 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.732 1.613 . . . . 10.0 108.855 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -71.46 -15.49 62.33 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 589' ' ' LYS . . . . . 0.411 ' HE2' ' O ' ' B' ' 643' ' ' ALA . 5.6 mtpm? -74.5 43.98 0.2 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 127.002 2.121 . . . . 10.0 112.997 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -59.16 -17.68 38.76 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.632 1.587 . . . . 10.0 115.458 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -53.34 -22.1 6.79 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.662 1.585 . . . . 10.0 114.753 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.49 -28.52 59.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.162 1.385 . . . . 10.0 113.141 173.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.31 -8.15 23.31 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.979 1.311 . . . . 10.0 113.854 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -122.21 4.36 9.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.133 1.773 . . . . 10.0 112.853 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 99.6 t -81.1 152.01 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.902 1.281 . . . . 10.0 110.265 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.5 p -131.8 154.62 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.053 1.341 . . . . 10.0 110.418 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.21 -36.58 80.31 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.399 -0.813 . . . . 10.0 111.529 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -59.06 -41.18 87.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.896 0.878 . . . . 10.0 112.395 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.27 -54.32 42.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.017 0.527 . . . . 10.0 110.733 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -53.64 -47.49 70.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.408 0.683 . . . . 10.0 112.139 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.9 m -58.1 -53.03 62.86 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.297 1.039 . . . . 10.0 112.915 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -68.06 -37.02 80.82 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.026 -0.421 . . . . 10.0 112.053 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.27 -41.27 90.13 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.257 -0.877 . . . . 10.0 112.539 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.49 -48.53 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.737 1.153 . . . . 10.0 110.435 169.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.62 -45.36 92.19 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 302' ' ' LEU . 13.0 ttpt -67.13 -32.14 73.07 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.168 0.987 . . . . 10.0 112.681 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -54.27 46.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.838 0.855 . . . . 10.0 109.079 169.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.83 -46.1 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.371 1.469 . . . . 10.0 112.848 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -59.82 -38.99 83.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.787 0.721 . . . . 10.0 112.724 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.56 65.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.469 HG12 HD13 ' B' ' 660' ' ' ILE . 92.5 mt -57.9 -47.44 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.342 1.057 . . . . 10.0 110.906 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 612' ' ' PHE . . . . . 0.433 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 3.4 t80 -149.33 109.84 3.42 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.676 0.79 . . . . 10.0 110.453 170.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -57.17 -8.2 3.3 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 124.551 3.5 . . . . 10.0 117.289 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 72.25 147.02 0.12 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 128.787 2.835 . . . . 10.0 114.397 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.433 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 55.6 Cg_endo -85.29 -28.83 0.75 Allowed 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.795 2.997 . . . . 10.0 112.621 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -162.09 147.04 9.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 127.908 2.483 . . . . 10.0 108.994 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -67.26 -15.0 44.93 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.17 1.914 . . . . 10.0 113.999 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.26 -29.74 65.46 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 111.947 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.39 -28.26 68.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.19 -24.37 18.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.565 1.546 . . . . 10.0 114.14 175.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 0.89 13.47 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.433 1.493 . . . . 10.0 114.396 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.25 145.32 55.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.508 0.723 . . . . 10.0 109.814 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -63.28 -24.0 67.67 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.177 -0.952 . . . . 10.0 112.608 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -68.77 -17.51 64.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.519 1.527 . . . . 10.0 114.077 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 19.9 ttt -113.21 -25.89 8.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.986 0.914 . . . . 10.0 113.281 171.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -55.25 -35.41 64.95 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.632 1.56 . . . . 10.0 112.74 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -67.57 -41.82 83.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.046 0.938 . . . . 10.0 112.348 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.9 1.28 . . . . 10.0 111.309 173.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.2 t -57.51 -42.44 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 126.649 1.979 . . . . 10.0 112.022 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.46 94.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.007 . . . . 10.0 112.1 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.462 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.7 -46.84 87.96 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.663 0.665 . . . . 10.0 110.722 170.615 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.63 85.79 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.172 0.896 . . . . 10.0 112.159 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.68 -44.71 95.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.619 0.768 . . . . 10.0 112.743 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.83 -43.56 98.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.286 1.034 . . . . 10.0 112.198 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.69 -53.56 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.409 1.084 . . . . 10.0 110.475 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -55.5 -45.03 77.08 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.381 0.672 . . . . 10.0 112.307 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.44 74.69 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.131 0.872 . . . . 10.0 114.833 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -84.49 -36.83 21.98 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.821 1.311 . . . . 10.0 111.724 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 34.6 mmt -66.6 -36.76 83.39 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.211 1.004 . . . . 10.0 111.097 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.9 -34.73 70.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.796 1.638 . . . . 10.0 113.348 170.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -89.82 -2.29 58.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.4 m -106.23 11.41 31.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.943 1.297 . . . . 10.0 113.72 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 643' ' ' ALA . . . . . 0.411 ' O ' ' HE2' ' B' ' 589' ' ' LYS . . . -134.18 129.53 35.92 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.491 1.116 . . . . 10.0 113.418 -170.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -14.28 60.53 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 74.0 p -145.97 161.64 39.62 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.497 1.519 . . . . 10.0 111.905 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -33.79 75.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.833 0.853 . . . . 10.0 112.365 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.25 -44.39 88.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.755 1.222 . . . . 10.0 112.633 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.61 -37.76 85.54 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.402 -0.811 . . . . 10.0 111.844 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.15 -51.68 68.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.092 0.957 . . . . 10.0 111.992 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.2 -45.47 68.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.54 -41.58 90.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.695 0.68 . . . . 10.0 112.006 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.64 -47.81 77.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.429 0.692 . . . . 10.0 112.483 172.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 26.1 mt -57.73 -45.55 85.63 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.511 1.051 . . . . 10.0 111.78 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.09 76.63 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.784 0.834 . . . . 10.0 112.468 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.06 -43.71 98.47 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.815 0.734 . . . . 10.0 110.672 169.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -65.85 -41.23 91.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.565 0.746 . . . . 10.0 111.911 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.6 mt -56.87 -51.81 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.305 0.957 . . . . 10.0 110.178 169.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.89 -49.83 75.39 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.678 0.791 . . . . 10.0 111.958 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -53.66 -55.04 29.49 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.931 0.892 . . . . 10.0 111.258 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 660' ' ' ILE . . . . . 0.469 HD13 HG12 ' B' ' 611' ' ' ILE . 72.4 mt -61.25 -49.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.311 0.505 . . . . 10.0 109.731 -176.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.45 -44.67 92.9 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.511 -0.743 . . . . 10.0 112.618 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 662' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.6 mmpt? -72.14 -41.39 67.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.272 1.029 . . . . 10.0 113.146 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.11 -48.36 82.04 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.994 0.918 . . . . 10.0 111.071 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.85 -52.67 64.73 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.855 0.862 . . . . 10.0 111.201 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.3 -43.67 79.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.596 0.758 . . . . 10.0 112.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.33 -45.16 73.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.256 -0.903 . . . . 10.0 113.055 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -66.13 -29.42 69.72 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -73.53 -36.96 65.76 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.861 1.264 . . . . 10.0 112.736 171.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -73.91 -31.26 63.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.126 1.37 . . . . 10.0 113.54 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 49.7 m -124.5 40.55 3.71 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.005 1.722 . . . . 10.0 111.701 -173.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -59.63 -20.62 57.29 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.906 2.083 . . . . 10.0 116.506 -172.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.012 2.125 . . . . 10.0 111.236 -179.67 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.75 0.31 . . . . 10.0 111.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -124.48 15.69 8.9 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.232 1.413 . . . . 10.0 114.397 -169.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -67.52 -10.88 55.84 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 115.418 1.636 . . . . 10.0 115.418 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -173.79 -28.71 0.03 OUTLIER Glycine 0 N--CA 1.475 1.286 0 N-CA-C 116.217 1.247 . . . . 10.0 116.217 178.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.67 -17.25 20.92 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.58 -26.14 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.247 1.419 . . . . 10.0 113.123 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.3 tp -159.16 77.6 3.04 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.652 1.181 . . . . 10.0 110.189 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.462 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 80.1 Cg_exo -46.53 128.69 12.98 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 125.231 3.954 . . . . 10.0 112.812 173.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.5 p -60.91 -39.56 89.82 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -171.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.88 -34.78 78.54 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.359 -0.838 . . . . 10.0 112.684 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 89.6 mt -76.2 -41.55 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.993 1.317 . . . . 10.0 110.196 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.1 ttt -53.38 -47.46 69.47 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.799 1.24 . . . . 10.0 111.575 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.84 -41.92 71.31 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.832 0.742 . . . . 10.0 112.918 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -65.93 -41.26 91.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.746 0.819 . . . . 10.0 112.254 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.03 -42.87 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.267 -0.896 . . . . 10.0 111.789 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.27 -31.89 73.27 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.044 0.838 . . . . 10.0 112.308 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -71.56 -43.94 65.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.054 0.942 . . . . 10.0 112.286 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -80.01 -47.16 15.37 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -174.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 47.7 p -65.09 -33.25 7.72 Favored Pre-proline 0 N--CA 1.48 1.031 0 N-CA-C 117.864 2.542 . . . . 10.0 117.864 -169.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.96 -6.66 13.22 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 CA-C-N 123.352 2.233 . . . . 10.0 114.615 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 48.8 m -74.48 43.32 0.18 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.118 1.767 . . . . 10.0 114.984 -173.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 49.7 ttm -57.07 -19.79 21.18 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.119 1.767 . . . . 10.0 114.544 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -64.04 -19.49 65.24 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.276 1.431 . . . . 10.0 113.893 174.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.93 171.54 4.37 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.741 1.217 . . . . 10.0 113.655 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.22 153.3 22.55 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.601 1.16 . . . . 10.0 112.295 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 160.43 -1.75 0.08 OUTLIER Glycine 0 CA--C 1.539 1.552 0 N-CA-C 116.471 1.348 . . . . 10.0 116.471 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.71 152.97 21.39 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.118 1.459 . . . . 10.0 112.937 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 79.8 p -148.89 162.47 29.27 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 125.31 1.444 . . . . 10.0 112.22 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.63 156.51 14.41 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.868 3.046 . . . . 10.0 115.033 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -132.71 1.9 3.7 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.19 1.396 . . . . 10.0 112.815 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.7 2.0 . . . . 10.0 113.88 178.793 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -48.08 -39.29 19.74 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.904 1.816 . . . . 10.0 115.904 -169.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -59.02 -60.09 4.43 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.059 0.845 . . . . 10.0 111.831 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -30.54 71.04 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.458 1.026 . . . . 10.0 112.915 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 22.9 mm -65.06 -46.33 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.391 1.076 . . . . 10.0 110.548 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.73 -38.17 76.78 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.987 0.515 . . . . 10.0 112.142 170.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.27 -45.09 94.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.933 1.293 . . . . 10.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.45 -43.35 99.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.479 0.712 . . . . 10.0 111.647 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.12 -46.34 84.57 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.672 0.789 . . . . 10.0 111.437 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.58 -32.44 73.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.072 2.149 . . . . 10.0 113.583 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.01 -39.79 66.41 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.449 1.022 . . . . 10.0 113.622 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.82 -20.76 48.95 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.949 0.899 . . . . 10.0 113.052 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 58.0 ttm -80.02 -36.94 35.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.203 0.911 . . . . 10.0 110.912 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 73.9 m -51.01 -35.75 35.76 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.307 1.043 . . . . 10.0 111.74 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 27.2 m -50.58 -43.66 56.56 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.008 1.323 . . . . 10.0 113.752 175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.17 -30.7 67.9 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.933 -1.104 . . . . 10.0 111.464 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -80.11 -21.86 42.78 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.291 1.436 . . . . 10.0 114.008 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -72.58 -19.98 61.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.827 1.251 . . . . 10.0 112.712 170.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 10.1 mp -113.19 38.94 2.7 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.735 2.014 . . . . 10.0 113.12 -169.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.46 -22.23 42.19 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 114.859 1.429 . . . . 10.0 114.859 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -175.31 -175.13 42.5 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.263 1.411 . . . . 10.0 112.93 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -137.8 1.11 2.28 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -155.4 169.03 25.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.688 1.595 . . . . 10.0 111.799 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.77 157.56 27.22 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.984 0.913 . . . . 10.0 112.804 171.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.457 1.903 . . . . 10.0 112.999 177.507 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.56 112.53 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.265 1.026 . . . . 10.0 110.385 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -72.25 -30.98 65.39 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.21 1.004 . . . . 10.0 112.971 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -65.99 165.28 13.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.318 1.447 . . . . 10.0 112.956 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -116.94 18.4 12.55 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.89 1.233 . . . . 10.0 115.528 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -127.21 -10.89 5.85 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.66 1.726 . . . . 10.0 115.66 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -66.68 -24.76 66.31 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.314 -0.866 . . . . 10.0 113.284 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -18.11 63.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -94.26 -17.07 23.03 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.272 1.429 . . . . 10.0 112.874 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.52 150.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.337 1.455 . . . . 10.0 111.148 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 52.0 p -127.43 155.78 43.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.165 1.386 . . . . 10.0 110.583 171.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -58.88 -40.33 84.09 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.645 -0.66 . . . . 10.0 111.555 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.49 -35.1 79.34 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.31 -47.94 83.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.086 0.555 . . . . 10.0 111.358 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -59.48 -50.37 74.2 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.816 0.846 . . . . 10.0 111.257 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.7 m -56.21 -51.6 67.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.414 1.085 . . . . 10.0 112.927 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.45 -41.68 84.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.927 0.491 . . . . 10.0 111.472 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.23 -38.57 88.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 117.489 -1.243 . . . . 10.0 112.863 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.31 -49.86 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.64 1.564 . . . . 10.0 110.541 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -61.68 -48.17 82.03 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -68.02 -26.88 66.11 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.599 -0.688 . . . . 10.0 112.705 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.5 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.1 tp -58.2 -55.45 34.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 168.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.22 -46.14 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.442 1.097 . . . . 10.0 112.192 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -58.65 -40.74 84.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.21 57.09 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.689 -0.632 . . . . 10.0 111.896 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.02 -46.14 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.878 1.271 . . . . 10.0 111.165 -175.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -144.6 104.86 4.6 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 123.828 0.851 . . . . 10.0 109.251 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -58.18 -10.84 8.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 124.497 3.465 . . . . 10.0 116.757 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 70.3 p 61.1 148.28 0.08 OUTLIER Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 129.436 3.095 . . . . 10.0 115.836 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 -34.53 9.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.925 2.417 . . . . 10.0 112.347 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -156.32 158.91 31.7 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.168 2.587 . . . . 10.0 109.165 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.19 -16.21 39.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.684 2.256 . . . . 10.0 113.402 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.54 71.41 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.309 -0.87 . . . . 10.0 112.284 169.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.63 58.62 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.571 0.952 . . . . 10.0 113.571 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 74.3 mt -56.62 -21.72 29.05 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.483 1.513 . . . . 10.0 113.539 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -121.56 14.65 11.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.153 1.781 . . . . 10.0 113.945 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.59 143.97 48.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.163 0.985 . . . . 10.0 111.641 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -11.57 2.48 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.791 2.145 . . . . 10.0 116.791 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -107.43 -20.69 13.18 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.716 1.606 . . . . 10.0 113.004 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.35 -34.71 78.78 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.393 0.997 . . . . 10.0 110.227 169.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -52.57 -37.71 58.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.91 1.284 . . . . 10.0 114.185 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.18 -40.95 82.11 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.572 -0.705 . . . . 10.0 111.294 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.0 -36.68 80.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.811 0.845 . . . . 10.0 112.47 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.01 -42.65 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.807 1.643 . . . . 10.0 111.294 173.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.81 93.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.241 -0.912 . . . . 10.0 112.257 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -59.01 -46.16 88.88 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.078 0.951 . . . . 10.0 112.061 170.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.9 99.36 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.403 -0.811 . . . . 10.0 111.838 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.23 -42.37 99.25 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.33 0.968 . . . . 10.0 112.715 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.66 -48.29 77.81 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.91 1.284 . . . . 10.0 111.975 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.67 -49.75 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.102 0.961 . . . . 10.0 110.187 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.03 -44.75 83.21 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.127 0.876 . . . . 10.0 112.59 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.06 83.56 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.876 0.75 . . . . 10.0 114.025 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.77 -40.52 63.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.753 1.276 . . . . 10.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.9 mmt -66.85 -35.15 79.38 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.335 1.054 . . . . 10.0 111.502 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -64.16 -50.88 66.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.361 1.464 . . . . 10.0 112.551 171.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.78 -25.65 67.35 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.6 m -78.15 -7.29 56.86 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.57 140.66 37.23 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.751 1.019 . . . . 10.0 113.751 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -90.97 -11.14 39.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.206 1.802 . . . . 10.0 112.335 174.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.9 p -149.49 162.41 40.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.403 1.481 . . . . 10.0 112.837 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -57.16 -40.96 78.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.293 1.037 . . . . 10.0 112.103 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.62 -43.85 95.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.677 1.191 . . . . 10.0 112.461 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.46 -37.64 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.399 -0.813 . . . . 10.0 112.187 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.41 -54.93 41.42 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.281 1.032 . . . . 10.0 111.794 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.03 -47.87 53.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.863 0.865 . . . . 10.0 112.262 169.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -64.99 -41.68 95.19 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.325 -0.859 . . . . 10.0 112.188 -176.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.1 -42.91 99.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.45 1.1 . . . . 10.0 112.189 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.4 -52.95 63.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.622 0.646 . . . . 10.0 111.571 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.99 76.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.37 -48.06 74.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.19 -0.944 . . . . 10.0 112.428 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -68.47 -30.07 68.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.215 -0.928 . . . . 10.0 111.443 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.3 mm -62.73 -48.49 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.389 1.076 . . . . 10.0 111.586 169.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.84 -47.33 85.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.578 0.751 . . . . 10.0 111.603 172.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -54.5 24.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.545 1.538 . . . . 10.0 111.907 176.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.33 -50.22 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.042 1.337 . . . . 10.0 110.987 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.27 -46.46 86.71 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.967 0.507 . . . . 10.0 112.057 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.73 62.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.567 1.147 . . . . 10.0 113.267 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -63.88 -39.96 95.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.93 0.492 . . . . 10.0 112.29 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.86 -40.09 9.9 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.61 -44.15 76.77 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.335 0.971 . . . . 10.0 113.368 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.27 -21.42 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.576 -1.327 . . . . 10.0 113.665 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -90.38 -10.55 43.53 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.809 1.244 . . . . 10.0 113.349 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -126.95 -8.33 6.03 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.24 1.816 . . . . 10.0 113.659 -170.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -139.83 18.43 2.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.859 2.064 . . . . 10.0 112.366 -175.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 63.9 p -53.82 -27.69 30.95 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.395 1.878 . . . . 10.0 115.888 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -66.8 -15.34 63.52 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.939 1.696 . . . . 10.0 111.146 -172.824 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.62 0.248 . . . . 10.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -136.8 10.1 3.1 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.659 1.583 . . . . 10.0 112.74 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -148.01 163.02 38.15 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.274 1.429 . . . . 10.0 112.483 -177.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 174.3 -179.31 45.72 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.138 1.351 . . . . 10.0 112.893 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -151.17 177.44 10.2 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.852 1.261 . . . . 10.0 111.497 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 29.6 mm -57.9 -28.88 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.704 1.202 . . . . 10.0 113.783 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.2 tp -123.43 86.1 52.23 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 127.119 2.168 . . . . 10.0 109.933 -173.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.44 137.95 24.66 Favored 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 125.497 4.131 . . . . 10.0 113.715 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 34.6 p -58.21 -37.63 75.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.58 -37.07 84.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.631 0.772 . . . . 10.0 112.851 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.52 -43.46 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 10.0 110.25 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 42.3 ttp -54.37 -48.73 71.16 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.741 1.217 . . . . 10.0 111.528 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -53.23 -38.31 62.82 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.35 -42.33 96.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.726 -0.609 . . . . 10.0 112.255 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 11.3 t -69.18 -44.41 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.619 0.768 . . . . 10.0 110.938 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 44.1 mt -59.12 -43.06 91.93 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.345 0.975 . . . . 10.0 112.511 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -67.96 -41.07 82.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.888 0.875 . . . . 10.0 112.905 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -80.12 -35.16 37.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -175.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 49.7 p -80.13 -10.54 0.16 Allowed Pre-proline 0 N--CA 1.481 1.077 0 N-CA-C 120.632 3.567 . . . . 10.0 120.632 -169.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.49 124.09 10.84 Favored 'Trans proline' 0 C--N 1.359 1.107 0 CA-C-N 125.076 2.848 . . . . 10.0 111.818 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 45.5 p -71.59 -21.46 61.86 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.234 1.198 . . . . 10.0 114.234 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 28.3 ttt -158.88 141.54 14.27 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.275 1.83 . . . . 10.0 110.147 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -77.98 132.35 37.81 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.483 0.713 . . . . 10.0 111.023 170.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -154.63 162.01 41.33 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.964 1.306 . . . . 10.0 111.903 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -129.68 143.47 50.83 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.763 1.625 . . . . 10.0 110.312 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 156.88 169.96 21.36 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.106 1.336 . . . . 10.0 113.432 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -144.67 158.26 43.85 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.792 1.637 . . . . 10.0 111.037 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 43.2 m -65.7 152.92 91.96 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.293 1.037 . . . . 10.0 112.655 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -51.51 143.13 36.89 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.808 3.005 . . . . 10.0 113.836 171.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.93 -9.31 40.5 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.077 1.14 . . . . 10.0 114.077 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.44 1.896 . . . . 10.0 112.013 -176.903 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 113.109 0.781 . . . . 10.0 113.109 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -51.36 -32.03 24.31 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.029 2.531 . . . . 10.0 115.392 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.45 -48.78 78.24 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.735 0.814 . . . . 10.0 112.354 174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -67.34 -34.02 76.46 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.106 0.866 . . . . 10.0 111.953 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 20.5 mm -61.16 -50.5 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 118.648 0.658 . . . . 10.0 110.199 177.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.54 -39.52 91.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.544 0.738 . . . . 10.0 112.338 174.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.38 -56.3 21.66 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.606 1.162 . . . . 10.0 112.013 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.07 -38.64 86.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.516 0.598 . . . . 10.0 112.099 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.18 -42.23 90.32 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.091 0.859 . . . . 10.0 111.627 174.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.15 -29.01 67.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.881 1.273 . . . . 10.0 113.706 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 53.1 mt -53.92 -40.8 67.03 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.042 1.292 . . . . 10.0 112.755 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.44 -45.71 24.88 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 171.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.5 mtm -64.1 -26.03 68.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 98.6 p -66.7 -19.96 65.87 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -53.04 -28.67 25.59 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.598 1.703 . . . . 10.0 115.598 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.84 -35.63 66.63 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.811 -1.181 . . . . 10.0 113.863 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -73.69 -32.1 63.77 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.692 0.797 . . . . 10.0 112.349 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.81 -32.36 69.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.862 1.265 . . . . 10.0 112.289 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.21 -11.26 60.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.106 0.962 . . . . 10.0 113.34 169.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -117.82 23.6 11.58 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.425 1.89 . . . . 10.0 111.736 -177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -147.27 -158.51 7.88 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 126.56 2.029 . . . . 10.0 112.419 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -118.62 40.82 3.14 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.604 1.562 . . . . 10.0 111.046 -173.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -53.7 141.7 25.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.35 1.46 . . . . 10.0 112.852 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -152.64 167.85 27.56 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.88 1.672 . . . . 10.0 111.868 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.224 1.41 . . . . 10.0 114.287 175.61 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.074 -0.81 . . . . 10.0 111.074 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.11 142.63 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.508 1.123 . . . . 10.0 110.946 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -145.98 150.39 35.94 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.847 1.659 . . . . 10.0 110.407 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -65.57 164.6 13.85 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.822 1.249 . . . . 10.0 112.992 172.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 170.69 -30.42 0.13 Allowed Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.316 0.96 . . . . 10.0 114.612 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -62.57 -13.87 36.0 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.699 1.74 . . . . 10.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.91 -23.3 66.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.226 1.41 . . . . 10.0 114.013 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.05 -16.18 40.77 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.677 1.362 . . . . 10.0 114.677 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -94.79 13.94 22.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.33 1.452 . . . . 10.0 113.372 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.03 147.09 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.763 1.625 . . . . 10.0 110.353 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 97.7 m -135.59 153.47 51.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.295 1.838 . . . . 10.0 110.166 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -51.13 -42.75 60.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.41 -39.49 67.33 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.98 0.809 . . . . 10.0 112.891 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 42.2 tp -68.67 -47.83 65.5 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.242 0.617 . . . . 10.0 111.07 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -52.24 -51.61 57.33 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.364 1.066 . . . . 10.0 112.243 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.6 m -55.25 -47.01 76.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.105 1.362 . . . . 10.0 112.383 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -69.28 -43.81 73.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.553 0.741 . . . . 10.0 111.874 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.84 -35.69 81.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.392 0.996 . . . . 10.0 112.862 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.19 -51.73 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.323 0.965 . . . . 10.0 110.69 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -61.9 -38.13 87.21 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.737 -0.602 . . . . 10.0 112.297 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -66.65 -34.25 77.46 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.69 1.196 . . . . 10.0 112.549 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.15 66.68 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.113 0.965 . . . . 10.0 108.97 168.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.77 -46.39 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.726 1.21 . . . . 10.0 113.265 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -60.88 -37.46 82.26 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.4 -28.83 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 611' ' ' ILE . . . . . 0.428 HG12 HG21 ' B' ' 660' ' ' ILE . 83.6 mt -74.87 -49.94 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.395 1.078 . . . . 10.0 110.254 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 612' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 1.1 t80 -140.4 100.09 6.99 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.724 0.809 . . . . 10.0 110.587 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -68.35 93.69 0.42 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.644 2.896 . . . . 10.0 108.804 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 7.7 p -54.75 147.64 30.45 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.613 1.565 . . . . 10.0 114.477 -171.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.89 -32.55 17.83 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.898 2.399 . . . . 10.0 112.394 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -152.73 159.84 31.9 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 127.24 2.216 . . . . 10.0 110.084 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.58 -21.22 39.96 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.854 2.369 . . . . 10.0 112.27 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.53 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.392 -0.818 . . . . 10.0 111.556 169.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.0 85.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.801 0.84 . . . . 10.0 112.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.29 -46.16 91.45 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.169 1.387 . . . . 10.0 112.216 172.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.31 -31.04 65.35 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.636 1.174 . . . . 10.0 113.862 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.38 141.55 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.955 1.302 . . . . 10.0 113.242 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -23.37 6.26 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.118 1.895 . . . . 10.0 116.118 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.0 -33.62 72.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.499 1.045 . . . . 10.0 113.018 172.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.6 tpt -77.87 -34.19 51.73 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.175 0.99 . . . . 10.0 112.002 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.18 -30.22 61.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.39 0.885 . . . . 10.0 113.39 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -61.64 -38.92 89.48 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.599 1.16 . . . . 10.0 112.645 173.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.76 -45.98 40.28 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.04 1.336 . . . . 10.0 111.574 171.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.3 t -55.53 -39.69 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.498 1.119 . . . . 10.0 112.306 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.01 92.38 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.521 1.128 . . . . 10.0 112.54 175.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.509 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.04 -43.45 92.3 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.601 -0.687 . . . . 10.0 110.63 171.774 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.57 86.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.133 0.879 . . . . 10.0 112.437 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -60.32 -47.66 85.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.309 0.958 . . . . 10.0 112.447 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.53 -45.09 95.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.222 1.009 . . . . 10.0 112.251 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.47 -52.39 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.267 1.027 . . . . 10.0 110.758 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.75 -44.16 69.74 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.364 0.983 . . . . 10.0 112.219 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.94 -32.79 81.95 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.01 0.814 . . . . 10.0 113.95 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.38 -35.94 58.37 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.128 1.464 . . . . 10.0 111.814 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.2 mmt -66.68 -39.64 88.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.908 0.883 . . . . 10.0 110.796 173.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.3 -48.38 75.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.144 1.378 . . . . 10.0 112.892 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -66.63 -20.7 66.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.148 1.166 . . . . 10.0 114.148 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.1 p -104.77 -26.68 12.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.14 130.48 43.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.882 0.873 . . . . 10.0 113.259 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -77.39 -10.47 59.47 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 25.1 p -149.91 163.63 37.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.684 1.194 . . . . 10.0 112.539 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -63.48 -36.47 83.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.104 1.362 . . . . 10.0 113.093 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.33 -44.14 76.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.15 0.98 . . . . 10.0 111.457 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.26 -35.98 82.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.276 0.63 . . . . 10.0 111.831 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.58 -57.06 14.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.651 1.18 . . . . 10.0 112.57 173.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.17 -44.8 71.82 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -58.85 -43.0 90.65 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.505 0.593 . . . . 10.0 112.108 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.29 -43.59 85.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.372 1.069 . . . . 10.0 112.64 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.18 -48.77 75.73 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.348 0.976 . . . . 10.0 111.294 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -36.92 78.05 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.12 -42.83 99.63 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.389 -0.819 . . . . 10.0 111.296 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -41.15 95.43 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.841 -1.076 . . . . 10.0 112.858 174.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.2 mt -53.05 -54.55 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.382 0.992 . . . . 10.0 109.425 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -40.5 68.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.505 -0.759 . . . . 10.0 112.333 -169.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -47.17 63.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.094 0.861 . . . . 10.0 111.646 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 660' ' ' ILE . . . . . 0.428 HG21 HG12 ' B' ' 611' ' ' ILE . 59.7 mt -59.44 -49.15 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.765 0.426 . . . . 10.0 110.732 173.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -76.46 -49.98 15.25 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -169.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . 0.284 22.1 ptmt -70.63 -17.09 62.88 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 120.665 1.575 . . . . 10.0 113.467 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -78.29 -43.63 27.5 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.615 0.643 . . . . 10.0 110.432 168.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.36 -36.25 77.58 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.038 -1.039 . . . . 10.0 112.995 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.1 -22.36 39.02 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.011 0.924 . . . . 10.0 113.41 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.26 -47.2 7.33 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.56 1.144 . . . . 10.0 112.183 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -70.0 -8.58 50.24 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -110.67 10.28 22.82 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.691 1.996 . . . . 10.0 112.998 170.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -128.86 -21.85 3.31 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.955 1.702 . . . . 10.0 113.82 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 63.5 m -70.95 80.17 0.65 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.017 1.727 . . . . 10.0 113.01 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.24 -23.42 65.7 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.828 1.251 . . . . 10.0 114.212 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.558 1.943 . . . . 10.0 111.857 179.315 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.774 -0.084 . . . . 10.0 110.774 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.06 -31.93 69.79 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.844 0.857 . . . . 10.0 113.161 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -153.02 170.06 21.36 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.422 1.889 . . . . 10.0 110.88 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -58.87 114.17 5.77 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.329 0.966 . . . . 10.0 113.364 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -138.88 5.95 2.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.208 1.403 . . . . 10.0 113.85 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 37.2 mm -64.19 -22.21 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.345 1.458 . . . . 10.0 113.407 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.5 tp -147.7 84.41 7.05 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 125.894 1.677 . . . . 10.0 107.986 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.509 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 39.4 Cg_exo -48.11 6.25 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.135 2 C-N-CA 129.423 6.749 . . . . 10.0 122.719 -169.447 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 25.4 m 65.31 -50.02 0.36 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.387 2.275 . . . . 10.0 115.392 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.33 -46.38 73.66 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.923 -1.111 . . . . 10.0 111.792 174.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.59 -35.3 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 122.904 0.482 . . . . 10.0 110.431 170.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 26.1 ttt -55.75 -49.96 71.68 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.221 0.919 . . . . 10.0 111.468 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.74 -42.04 71.14 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 10.0 112.918 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.38 -47.86 83.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.429 1.092 . . . . 10.0 112.515 172.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.32 -43.44 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.472 1.033 . . . . 10.0 111.035 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.79 -36.11 82.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.064 0.847 . . . . 10.0 112.647 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.83 -40.04 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.195 0.998 . . . . 10.0 112.977 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 856' ' ' ASN . . . . . 0.438 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 40.3 m-80 -79.98 -36.13 36.49 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.116 1.525 . . . . 10.0 115.116 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 32.8 p -73.22 -36.18 3.1 Favored Pre-proline 0 N--CA 1.481 1.103 0 N-CA-C 117.343 2.349 . . . . 10.0 117.343 -171.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -84.47 169.22 11.08 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 122.597 2.198 . . . . 10.0 112.968 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 16.4 m -70.72 23.67 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.845 2.058 . . . . 10.0 115.276 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 28.2 ptm -137.15 32.98 2.6 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.393 1.877 . . . . 10.0 112.227 -172.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -50.09 127.86 17.69 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.703 1.601 . . . . 10.0 113.205 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -155.11 162.06 41.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.624 1.57 . . . . 10.0 111.211 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 52.8 tp -152.16 -47.65 0.11 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.174 0.989 . . . . 10.0 112.854 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 162.51 178.16 36.13 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.678 1.133 . . . . 10.0 113.666 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.09 146.22 54.92 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.186 0.995 . . . . 10.0 111.967 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 70.1 m -61.12 129.63 90.75 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 124.046 0.938 . . . . 10.0 112.152 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.58 145.28 48.58 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.575 2.85 . . . . 10.0 113.949 173.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.81 -17.1 56.26 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.661 1.984 . . . . 10.0 111.791 -175.443 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 119.367 -0.349 . . . . 10.0 110.237 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -154.35 -76.08 0.11 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.682 0.674 . . . . 10.0 112.022 169.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -59.18 -54.26 49.0 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.279 1.032 . . . . 10.0 113.039 -172.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.73 -30.78 69.06 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.881 0.873 . . . . 10.0 113.329 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.47 -50.82 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.105 0.562 . . . . 10.0 110.891 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.26 -41.06 99.0 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 119.133 -0.461 . . . . 10.0 111.146 172.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -55.58 -46.34 77.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.206 1.402 . . . . 10.0 112.841 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.86 -44.47 80.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.637 0.775 . . . . 10.0 112.217 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.08 -42.07 80.96 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.641 -0.662 . . . . 10.0 111.609 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.2 tp -71.5 -26.3 62.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.524 1.93 . . . . 10.0 112.876 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -42.05 60.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.183 1.393 . . . . 10.0 113.164 -178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.72 -54.9 15.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.689 1.196 . . . . 10.0 111.62 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 40.9 ttm -58.73 -31.99 68.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.631 1.173 . . . . 10.0 114.111 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.7 m -61.92 -19.86 63.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.838 1.655 . . . . 10.0 114.686 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 44.6 m -55.6 -23.05 25.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.106 1.362 . . . . 10.0 114.255 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -52.39 -29.99 26.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.93 1.241 . . . . 10.0 113.675 172.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -72.37 -38.6 68.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.127 0.971 . . . . 10.0 112.42 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.35 -27.07 64.05 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.375 1.07 . . . . 10.0 112.994 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.66 -8.06 9.12 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.054 -1.029 . . . . 10.0 113.505 169.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -134.53 23.39 3.7 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.806 2.043 . . . . 10.0 111.89 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -176.78 41.56 0.1 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.256 0.931 . . . . 10.0 114.146 -171.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -63.91 163.65 11.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.791 1.236 . . . . 10.0 114.187 -174.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -134.89 11.93 3.64 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.545 1.538 . . . . 10.0 113.453 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -74.71 -3.23 30.2 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.427 1.491 . . . . 10.0 114.961 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.046 2.139 . . . . 10.0 113.098 -173.819 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 112.152 -0.379 . . . . 10.0 112.152 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 89.6 t -139.12 135.5 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.887 1.675 . . . . 10.0 109.587 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -101.67 -21.3 14.7 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.844 1.258 . . . . 10.0 113.954 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -64.94 163.37 14.65 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.972 1.309 . . . . 10.0 112.671 169.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -150.47 31.98 1.03 Allowed Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.986 1.279 . . . . 10.0 114.422 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -118.43 -5.09 10.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.991 1.316 . . . . 10.0 114.049 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.59 -22.9 66.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.732 1.213 . . . . 10.0 111.981 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -60.53 -19.28 56.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.265 2.226 . . . . 10.0 113.586 173.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -90.33 6.81 41.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.059 1.344 . . . . 10.0 113.247 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.81 160.4 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.655 1.982 . . . . 10.0 110.322 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.7 t -146.23 157.55 43.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.987 1.315 . . . . 10.0 111.401 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -57.54 -34.38 69.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.713 1.205 . . . . 10.0 113.261 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.34 -36.17 82.8 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.473 -0.767 . . . . 10.0 112.354 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.51 -48.97 62.99 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 118.951 -0.547 . . . . 10.0 110.538 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -51.81 -47.34 64.32 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.47 0.708 . . . . 10.0 111.675 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 52.9 m -58.22 -50.74 72.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.003 1.321 . . . . 10.0 112.632 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.87 -38.23 82.82 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.945 -0.472 . . . . 10.0 111.832 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.93 -40.12 94.41 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.888 -1.133 . . . . 10.0 111.936 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.79 -48.52 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.939 1.245 . . . . 10.0 110.964 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -57.63 -40.97 80.4 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -70.97 -36.11 72.4 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.992 0.917 . . . . 10.0 112.895 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' B' ' 657' ' ' ILE . 2.4 tp -59.39 -52.79 64.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.588 1.155 . . . . 10.0 110.045 172.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.53 -47.81 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.015 1.726 . . . . 10.0 113.104 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.74 -30.93 69.66 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.1 73.74 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.038 0.835 . . . . 10.0 111.878 171.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 57.8 mt -64.05 -51.38 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.049 0.94 . . . . 10.0 110.96 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -146.14 104.46 4.11 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.756 0.823 . . . . 10.0 110.733 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.7 -12.55 21.98 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.265 3.31 . . . . 10.0 116.575 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 66.5 p 64.13 147.84 0.1 OUTLIER Pre-proline 0 N--CA 1.484 1.228 0 C-N-CA 129.085 2.954 . . . . 10.0 115.198 -169.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.08 -34.0 10.91 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.785 2.323 . . . . 10.0 112.353 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -157.09 159.49 31.14 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 128.245 2.618 . . . . 10.0 109.065 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.29 -18.9 44.59 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.771 2.314 . . . . 10.0 113.19 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.59 73.68 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.625 0.77 . . . . 10.0 112.721 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -70.79 -21.21 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.95 -27.98 67.25 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.535 1.134 . . . . 10.0 112.972 170.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -78.02 -17.0 57.61 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.138 1.375 . . . . 10.0 113.832 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.25 143.83 57.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.904 0.882 . . . . 10.0 112.82 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -63.55 -29.87 71.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.003 0.921 . . . . 10.0 113.036 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -73.26 -32.12 64.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.377 0.671 . . . . 10.0 112.65 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -70.11 -36.75 75.08 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.061 0.846 . . . . 10.0 111.038 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.42 -38.35 86.79 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.326 1.05 . . . . 10.0 112.656 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -66.2 -40.24 90.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.158 -0.964 . . . . 10.0 112.284 171.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.03 -45.13 94.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.932 0.893 . . . . 10.0 111.67 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.5 t -54.73 -45.06 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.896 1.678 . . . . 10.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.27 -39.43 86.08 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.184 0.994 . . . . 10.0 112.993 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -59.89 -43.78 94.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.251 1.02 . . . . 10.0 111.559 170.261 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.96 95.85 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.292 -0.88 . . . . 10.0 112.249 173.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.4 -45.22 95.25 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.734 1.152 . . . . 10.0 112.49 171.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -47.98 82.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.151 . . . . 10.0 111.905 177.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.06 -40.77 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.735 -0.65 . . . . 10.0 111.71 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.1 -49.51 68.97 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.011 1.278 . . . . 10.0 111.225 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.21 -38.59 94.72 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.547 0.594 . . . . 10.0 113.884 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.4 -35.8 78.21 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.806 1.303 . . . . 10.0 112.34 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.79 -39.62 69.76 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.27 . . . . 10.0 110.925 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.38 -38.8 91.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.484 1.514 . . . . 10.0 112.551 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -79.76 5.27 13.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.329 1.452 . . . . 10.0 114.198 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.8 m -120.83 14.51 11.65 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.608 1.563 . . . . 10.0 113.444 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -131.26 150.33 52.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.643 1.177 . . . . 10.0 113.329 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -103.98 -3.22 24.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.827 1.651 . . . . 10.0 112.611 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 63.4 p -154.22 161.75 41.63 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 126.507 1.923 . . . . 10.0 110.102 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -27.38 68.66 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 175.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -71.21 -37.33 72.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.795 0.838 . . . . 10.0 112.027 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.69 -39.43 84.41 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.456 -0.778 . . . . 10.0 111.526 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.49 -52.5 65.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.927 0.891 . . . . 10.0 111.704 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -49.19 -47.8 45.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.59 -42.92 99.85 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.509 0.595 . . . . 10.0 112.322 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.27 -42.89 96.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.554 0.742 . . . . 10.0 112.741 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.4 mt -55.74 -54.15 47.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.644 0.656 . . . . 10.0 110.458 170.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -28.67 66.68 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.498 0.925 . . . . 10.0 113.498 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -67.71 -41.8 82.99 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.456 1.025 . . . . 10.0 111.877 171.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -34.74 78.52 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.277 -0.889 . . . . 10.0 111.645 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.511 HD11 ' HG ' ' B' ' 607' ' ' LEU . 22.0 mm -64.42 -45.64 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.391 1.077 . . . . 10.0 111.884 170.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -55.93 -48.98 74.74 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.089 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -53.4 -58.13 8.2 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.298 0.954 . . . . 10.0 111.644 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.98 -48.81 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.602 0.637 . . . . 10.0 111.185 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.54 -52.51 63.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.205 0.602 . . . . 10.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -36.36 78.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.096 0.958 . . . . 10.0 112.485 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -69.68 -49.54 52.53 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.051 0.54 . . . . 10.0 111.997 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.57 -32.63 74.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.996 1.271 . . . . 10.0 112.472 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -60.54 -6.87 1.81 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.356 1.613 . . . . 10.0 115.356 169.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -122.86 -36.57 2.86 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.982 1.265 . . . . 10.0 113.711 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -63.83 -11.44 27.22 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.939 1.296 . . . . 10.0 114.07 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -114.66 11.23 16.87 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.527 1.931 . . . . 10.0 113.044 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -140.26 -13.26 1.04 Allowed 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 115.426 1.639 . . . . 10.0 115.426 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 78.2 p -58.09 -24.82 60.08 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.777 1.769 . . . . 10.0 115.777 -176.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -71.74 -25.45 62.06 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.217 1.407 . . . . 10.0 114.066 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.45 1.5 . . . . 10.0 112.277 -177.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 35.7 p . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.117 0.484 . . . . 10.0 111.398 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -142.58 166.58 24.27 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.929 1.692 . . . . 10.0 111.024 -178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -146.04 169.84 17.85 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.802 1.241 . . . . 10.0 112.708 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -137.09 32.55 2.41 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.834 1.683 . . . . 10.0 113.08 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -149.84 -173.69 4.49 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.91 2.084 . . . . 10.0 110.596 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.8 mt -124.83 19.8 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.487 1.115 . . . . 10.0 111.009 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.8 tp -146.15 76.89 12.17 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.246 2.218 . . . . 10.0 108.384 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 32.3 Cg_exo -42.86 136.87 4.56 Favored 'Trans proline' 0 C--N 1.353 0.791 1 C-N-CA 126.395 4.73 . . . . 10.0 114.29 178.674 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 19.7 m -51.08 -40.01 57.39 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.752 . . . . 10.0 115.729 -169.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.19 -27.2 60.7 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.85 -42.6 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 169.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 49.7 ttp -52.95 -54.28 37.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.647 0.779 . . . . 10.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.43 -42.29 70.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.415 1.086 . . . . 10.0 112.844 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -61.95 -47.02 86.73 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.247 1.019 . . . . 10.0 112.341 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.65 -44.18 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.238 0.926 . . . . 10.0 111.159 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.51 -34.52 78.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.154 0.888 . . . . 10.0 113.056 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.99 42.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.8 -47.73 20.66 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 25.0 p -57.81 -34.35 24.7 Favored Pre-proline 0 N--CA 1.478 0.968 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 -170.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -90.57 -7.91 3.9 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.05 2.5 . . . . 10.0 114.21 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 11.2 t -82.66 160.38 22.44 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.901 1.075 . . . . 10.0 113.901 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 25.0 ptp -153.95 154.67 34.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.985 2.114 . . . . 10.0 110.078 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -130.16 -2.72 4.5 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -173.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -153.25 162.56 41.16 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.726 1.61 . . . . 10.0 111.066 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -152.23 163.28 39.73 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.406 1.482 . . . . 10.0 112.099 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -75.58 171.71 54.15 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.789 1.185 . . . . 10.0 115.008 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -136.73 -11.09 1.81 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.06 1.344 . . . . 10.0 113.13 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 75.4 p -152.55 162.45 26.46 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 126.363 1.865 . . . . 10.0 111.383 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.64 -33.83 97.23 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.443 2.762 . . . . 10.0 114.755 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -157.31 159.17 37.25 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.762 1.625 . . . . 10.0 111.982 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.777 1.631 . . . . 10.0 111.664 -177.893 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -34.95 -50.28 0.48 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 116.708 2.114 . . . . 10.0 116.708 -168.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.86 -58.79 6.61 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.895 0.878 . . . . 10.0 112.783 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -64.8 -36.58 84.79 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.412 1.085 . . . . 10.0 112.488 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 20.4 mm -59.9 -46.0 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.386 1.074 . . . . 10.0 111.139 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -74.33 -37.26 63.61 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.83 -47.75 73.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.732 1.213 . . . . 10.0 112.395 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.05 -43.38 91.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.069 0.948 . . . . 10.0 112.154 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.27 -48.03 68.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.472 0.709 . . . . 10.0 111.446 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.29 -29.47 68.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.982 1.713 . . . . 10.0 113.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.79 -44.05 63.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.708 1.203 . . . . 10.0 113.203 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.33 -20.17 62.22 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.35 0.87 . . . . 10.0 113.35 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 50.2 ttm -80.05 -40.62 27.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.883 0.765 . . . . 10.0 110.172 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -55.29 -27.63 48.05 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.891 1.276 . . . . 10.0 113.271 175.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 305' ' ' THR . . . . . 0.435 HG23 ' CD2' ' B' ' 602' ' ' HIS . 52.2 m -46.05 -40.64 10.99 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.781 1.232 . . . . 10.0 113.221 169.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.45 -32.93 73.87 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.608 -0.683 . . . . 10.0 112.577 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -80.02 -42.95 22.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.802 1.241 . . . . 10.0 112.9 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.38 -29.0 60.89 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.385 0.883 . . . . 10.0 113.385 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.02 -2.05 38.5 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.812 1.645 . . . . 10.0 114.526 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -140.74 -9.66 1.05 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.093 1.886 . . . . 10.0 116.093 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -172.35 175.7 45.48 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 119.426 1.012 . . . . 10.0 114.754 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -63.48 161.41 14.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.526 1.53 . . . . 10.0 113.218 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.99 19.54 3.23 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.986 1.315 . . . . 10.0 114.119 -171.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -69.71 160.04 32.39 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.241 -0.912 . . . . 10.0 113.151 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.843 1.657 . . . . 10.0 112.845 176.391 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.195 -0.762 . . . . 10.0 111.195 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.62 -29.05 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 125.11 1.364 . . . . 10.0 113.269 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -147.42 96.78 2.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.026 1.73 . . . . 10.0 110.794 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -78.9 -3.33 44.24 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.55 1.315 . . . . 10.0 114.55 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 121.45 -8.64 10.21 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.574 1.559 . . . . 10.0 114.645 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -132.92 -7.19 3.11 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.727 1.381 . . . . 10.0 114.727 -170.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -61.45 -29.02 69.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.718 1.207 . . . . 10.0 113.144 -170.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -16.33 62.65 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.554 1.942 . . . . 10.0 114.932 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -41.76 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.855 0.862 . . . . 10.0 111.93 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.89 148.9 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 10.0 110.518 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.5 p -111.73 162.02 15.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.145 1.378 . . . . 10.0 111.398 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -57.17 -34.14 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.145 -0.972 . . . . 10.0 113.521 171.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.02 -41.39 86.71 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.708 0.686 . . . . 10.0 111.419 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -47.19 82.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.168 0.587 . . . . 10.0 111.56 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -58.45 -52.15 66.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.574 0.75 . . . . 10.0 111.729 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -53.08 -50.62 64.01 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.789 0.835 . . . . 10.0 113.159 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 602' ' ' HIS . . . . . 0.435 ' CD2' HG23 ' A' ' 305' ' ' THR . 10.6 t60 -73.14 -38.61 66.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.023 -0.513 . . . . 10.0 112.068 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.08 -35.38 78.49 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.587 -1.196 . . . . 10.0 112.046 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.38 -50.64 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 120.449 1.477 . . . . 10.0 110.709 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -59.24 -44.82 92.34 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -34.46 76.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.562 0.745 . . . . 10.0 112.437 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.64 -53.19 55.45 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.757 0.823 . . . . 10.0 109.875 169.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.82 -46.02 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.068 0.947 . . . . 10.0 112.162 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -63.87 -24.21 67.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -104.7 -25.96 12.48 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.202 0.91 . . . . 10.0 113.297 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.53 -43.43 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 118.807 0.73 . . . . 10.0 109.409 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.7 105.43 6.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.112 0.965 . . . . 10.0 108.776 169.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.19 92.21 0.27 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.496 2.797 . . . . 10.0 110.603 169.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 6.8 t -51.12 140.05 22.95 Favored Pre-proline 0 N--CA 1.473 0.687 0 C-N-CA 126.318 1.847 . . . . 10.0 113.335 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.5 -30.62 14.88 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.97 2.447 . . . . 10.0 111.992 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -150.97 159.93 32.95 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 128.399 2.68 . . . . 10.0 108.304 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.62 -20.92 34.85 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.314 2.009 . . . . 10.0 112.403 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.59 -31.58 72.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.036 0.935 . . . . 10.0 113.138 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.85 -21.9 63.31 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.154 -0.967 . . . . 10.0 113.119 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.31 -26.84 68.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.174 0.99 . . . . 10.0 112.925 169.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.81 -12.9 52.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.283 1.433 . . . . 10.0 113.167 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.08 140.86 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.82 0.848 . . . . 10.0 112.202 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -49.23 -35.57 17.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.381 1.472 . . . . 10.0 114.882 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -74.65 -30.42 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.057 0.943 . . . . 10.0 113.053 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -24.16 67.36 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.467 0.707 . . . . 10.0 112.241 173.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.95 -32.06 67.46 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 10.0 113.734 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -67.75 -40.85 84.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.433 1.015 . . . . 10.0 111.516 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.37 -48.09 74.14 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.506 1.522 . . . . 10.0 111.121 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 30.6 t -55.24 -46.33 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.474 1.91 . . . . 10.0 112.704 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.88 -40.98 87.97 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.101 -0.999 . . . . 10.0 112.106 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -59.52 -44.95 93.02 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.096 0.958 . . . . 10.0 112.031 170.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.45 96.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 10.0 112.132 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.94 -43.33 98.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.572 0.624 . . . . 10.0 112.379 172.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -62.77 -49.54 74.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.031 0.932 . . . . 10.0 111.762 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.26 -42.89 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.642 1.177 . . . . 10.0 111.493 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.52 -43.84 80.19 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.53 1.059 . . . . 10.0 111.842 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.2 -36.35 91.68 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.097 0.856 . . . . 10.0 114.404 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.93 -39.36 72.69 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.282 1.541 . . . . 10.0 111.602 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 639' ' ' MET . . . . . 0.404 ' SD ' ' HE3' ' B' ' 656' ' ' LYS . 36.9 mmt -71.98 -35.07 69.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.198 0.999 . . . . 10.0 111.419 178.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -65.08 -45.71 84.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.709 1.604 . . . . 10.0 112.622 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.42 -30.86 71.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.81 1.244 . . . . 10.0 112.673 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.5 m -84.98 -5.89 59.35 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.76 128.23 51.17 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.195 1.183 . . . . 10.0 114.195 -169.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -83.15 -10.01 58.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.796 1.638 . . . . 10.0 113.444 174.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.3 p -148.75 162.99 38.66 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.738 1.215 . . . . 10.0 112.429 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -29.96 70.97 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.178 0.991 . . . . 10.0 113.181 176.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.68 -43.86 65.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.8 0.84 . . . . 10.0 111.494 172.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.62 -33.98 77.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.342 0.657 . . . . 10.0 112.54 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -57.16 -61.4 2.49 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.208 1.403 . . . . 10.0 112.238 172.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -49.95 -46.15 52.04 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -64.51 -41.62 96.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.35 -0.844 . . . . 10.0 112.338 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.87 -44.35 93.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.541 1.136 . . . . 10.0 112.245 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -54.41 -54.5 39.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.733 0.697 . . . . 10.0 110.793 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.87 76.56 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.037 0.755 . . . . 10.0 113.037 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.71 -46.14 69.72 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.911 -1.118 . . . . 10.0 112.612 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 656' ' ' LYS . . . . . 0.404 ' HE3' ' SD ' ' B' ' 639' ' ' MET . 0.4 OUTLIER -68.53 -26.78 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.804 -1.185 . . . . 10.0 112.239 175.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' B' ' 610' ' ' ALA . 2.6 mm -65.57 -46.93 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 10.0 110.596 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -57.46 -44.66 84.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.357 0.663 . . . . 10.0 111.882 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -54.15 -59.44 4.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.724 1.209 . . . . 10.0 112.02 172.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.93 -44.49 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.018 1.327 . . . . 10.0 111.293 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.99 -60.39 2.88 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.241 0.617 . . . . 10.0 111.381 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -34.85 78.23 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.024 1.12 . . . . 10.0 114.024 -169.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.38 -31.8 73.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.22 0.608 . . . . 10.0 111.992 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.7 mp -87.03 -37.13 17.76 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.33 -47.6 69.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.503 1.502 . . . . 10.0 113.62 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -9.73 54.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.42 -1.425 . . . . 10.0 114.176 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -102.47 -5.74 23.71 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.896 1.678 . . . . 10.0 112.815 172.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -125.18 -9.76 7.04 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.887 2.075 . . . . 10.0 113.875 -173.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -112.59 -3.73 14.28 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.521 1.529 . . . . 10.0 113.122 169.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 42.7 p -59.73 -16.2 25.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.299 1.84 . . . . 10.0 115.206 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.49 -31.28 70.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.625 1.57 . . . . 10.0 113.546 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.254 1.31 0 C-N-CA 124.805 1.242 . . . . 10.0 111.571 176.381 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -50.44 -29.56 10.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.238 2.215 . . . . 10.0 115.232 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -66.01 -5.79 10.71 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.261 1.578 . . . . 10.0 115.261 175.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -68.16 52.24 0.41 Allowed Glycine 0 CA--C 1.539 1.542 0 C-N-CA 128.117 2.77 . . . . 10.0 116.973 -173.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -60.71 157.9 13.79 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.164 1.785 . . . . 10.0 112.598 169.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 16.4 mm -135.11 -38.13 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 -173.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.8 tp -116.71 100.59 53.5 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 125.576 1.55 . . . . 10.0 111.454 -169.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.6 146.72 14.46 Favored 'Trans proline' 0 C--N 1.353 0.794 1 C-N-CA 125.984 4.456 . . . . 10.0 114.77 173.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 61.7 p -61.24 -38.72 87.67 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.989 1.478 . . . . 10.0 114.989 -174.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.34 -40.0 85.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.354 -0.841 . . . . 10.0 112.505 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.46 -42.47 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.585 0.754 . . . . 10.0 109.252 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 56.1 ttm -51.14 -56.22 13.82 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.563 1.145 . . . . 10.0 110.832 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -53.25 -42.09 66.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.17 -43.14 99.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.306 0.642 . . . . 10.0 112.495 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.29 -42.37 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.698 -0.626 . . . . 10.0 111.296 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.37 -44.87 95.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.503 1.047 . . . . 10.0 112.767 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.74 85.85 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.799 0.84 . . . . 10.0 113.092 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -80.09 -40.09 28.27 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.585 1.698 . . . . 10.0 115.585 -175.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 66.6 p -80.17 -10.7 0.16 Allowed Pre-proline 0 N--CA 1.483 1.203 0 N-CA-C 121.499 3.888 . . . . 10.0 121.499 -169.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.72 161.37 44.07 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 124.907 2.788 . . . . 10.0 114.164 -169.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 44.5 p -62.38 -28.18 69.59 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.975 0.91 . . . . 10.0 113.242 173.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 40.1 tpp -148.32 131.33 16.26 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.826 1.65 . . . . 10.0 109.544 169.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -79.22 61.37 3.31 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.003 1.321 . . . . 10.0 111.977 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.76 -9.51 9.6 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.007 1.723 . . . . 10.0 115.17 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -140.95 116.54 10.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.176 1.79 . . . . 10.0 109.034 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 158.81 21.34 0.03 OUTLIER Glycine 0 CA--C 1.54 1.604 0 C-N-CA 124.55 1.072 . . . . 10.0 115.638 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.39 158.03 15.49 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.552 1.541 . . . . 10.0 114.051 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 866' ' ' SER . . . . . 0.433 ' H ' ' CD ' ' C' ' 867' ' ' PRO . 23.1 t -150.49 -40.56 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 114.63 1.344 . . . . 10.0 114.63 177.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 867' ' ' PRO . . . . . 0.433 ' CD ' ' H ' ' C' ' 866' ' ' SER . 52.7 Cg_exo -59.39 -29.45 90.18 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.638 2.226 . . . . 10.0 114.797 174.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -152.02 154.77 36.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.615 1.966 . . . . 10.0 109.656 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.763 1.625 . . . . 10.0 111.954 177.877 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 65.3 mttm . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -134.44 -60.63 0.79 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -65.6 -41.64 92.57 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 121.142 -0.974 . . . . 10.0 113.224 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -63.07 -32.09 73.38 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.338 1.055 . . . . 10.0 112.798 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 295' ' ' ILE . . . . . 0.418 HG23 ' CE1' ' B' ' 658' ' ' TYR . 46.5 mm -60.51 -48.47 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.782 1.233 . . . . 10.0 110.946 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -74.79 -40.18 61.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.865 0.466 . . . . 10.0 110.082 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -51.97 -51.48 56.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.479 1.112 . . . . 10.0 112.491 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.84 -39.02 90.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.308 1.443 . . . . 10.0 112.752 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.78 -49.52 72.6 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.65 0.78 . . . . 10.0 110.66 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.54 -28.15 69.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.063 2.145 . . . . 10.0 113.675 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 28.1 mt -48.18 -36.46 13.68 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.238 1.415 . . . . 10.0 114.384 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.07 -27.31 63.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 55.4 ttm -74.37 -41.12 61.53 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.325 1.42 . . . . 10.0 110.863 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 21.5 m -55.1 -19.94 8.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.934 1.694 . . . . 10.0 113.198 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 305' ' ' THR . . . . . 0.452 HG23 ' CD2' ' B' ' 602' ' ' HIS . 63.5 m -50.65 -46.84 58.68 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.182 . . . . 10.0 112.78 170.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.28 -41.28 90.04 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 118.963 0.801 . . . . 10.0 111.691 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -60.41 -44.54 95.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.152 0.981 . . . . 10.0 111.307 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.31 -43.43 94.73 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.02 1.328 . . . . 10.0 112.951 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.7 mp -77.46 -31.73 54.0 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.018 1.118 . . . . 10.0 114.018 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -105.66 -5.19 20.23 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.052 1.131 . . . . 10.0 114.052 -170.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 65.0 38.12 95.08 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.249 0.928 . . . . 10.0 114.029 174.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -141.04 167.69 21.59 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.438 1.895 . . . . 10.0 110.684 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -134.86 166.52 22.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.047 1.339 . . . . 10.0 111.86 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.77 155.01 24.05 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.341 1.056 . . . . 10.0 113.224 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--O 1.253 1.238 0 C-N-CA 126.33 1.852 . . . . 10.0 111.575 -177.266 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.38 -0.688 . . . . 10.0 111.38 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.65 136.14 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 125.141 1.376 . . . . 10.0 110.142 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -129.88 -135.18 0.21 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 127.247 2.219 . . . . 10.0 109.447 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -49.29 134.2 18.66 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.118 1.367 . . . . 10.0 112.142 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 177.61 34.25 0.05 OUTLIER Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.286 0.946 . . . . 10.0 114.053 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -131.01 -4.89 3.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.957 1.466 . . . . 10.0 114.957 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -69.25 -20.76 63.94 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.798 0.839 . . . . 10.0 112.735 -172.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.56 -16.4 60.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.883 1.273 . . . . 10.0 114.426 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.96 12.4 28.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.988 1.315 . . . . 10.0 112.947 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.68 150.53 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.968 1.707 . . . . 10.0 110.803 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 44.1 p -134.48 161.73 34.22 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.633 1.573 . . . . 10.0 110.728 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.55 -34.17 72.34 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.495 -0.753 . . . . 10.0 112.081 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.15 -33.89 72.35 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.48 -0.763 . . . . 10.0 112.524 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.44 -49.71 74.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.362 0.665 . . . . 10.0 111.18 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -55.86 -48.03 76.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.566 0.746 . . . . 10.0 111.351 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -57.87 -52.21 66.4 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.31 1.044 . . . . 10.0 113.15 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 602' ' ' HIS . . . . . 0.452 ' CD2' HG23 ' A' ' 305' ' ' THR . 8.8 t60 -70.35 -40.75 73.9 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.118 0.567 . . . . 10.0 111.97 -176.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.88 -45.88 91.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.527 0.603 . . . . 10.0 111.495 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.11 -49.31 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.426 0.69 . . . . 10.0 111.557 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -59.94 -44.15 94.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.301 0.955 . . . . 10.0 112.139 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -66.15 -35.0 79.32 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.557 -0.714 . . . . 10.0 112.565 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -50.37 73.27 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.793 0.837 . . . . 10.0 111.368 169.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.84 -46.4 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.913 1.285 . . . . 10.0 112.17 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -63.29 -41.65 99.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.611 0.765 . . . . 10.0 112.939 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.82 84.94 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.634 -0.667 . . . . 10.0 112.523 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.15 -52.24 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.008 0.923 . . . . 10.0 110.428 175.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 612' ' ' PHE . . . . . 0.454 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 2.0 t80 -141.0 103.5 6.2 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.941 0.896 . . . . 10.0 110.517 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -58.51 -8.34 5.3 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.927 3.751 . . . . 10.0 117.621 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 22.3 m 69.26 133.04 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 128.078 2.551 . . . . 10.0 113.356 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.454 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 87.8 Cg_endo -87.31 -30.39 0.3 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.88 3.053 . . . . 10.0 113.112 -175.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -157.15 157.33 30.43 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.248 1.819 . . . . 10.0 111.636 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -71.27 -1.06 9.05 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.136 2.557 . . . . 10.0 115.68 -174.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -100.7 -28.25 12.94 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.71 1.141 . . . . 10.0 112.166 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.21 71.91 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.549 1.068 . . . . 10.0 113.277 173.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.97 -9.76 56.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.284 1.587 . . . . 10.0 115.284 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -86.93 -10.28 53.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.957 0.903 . . . . 10.0 113.24 170.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.56 146.87 51.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.636 0.774 . . . . 10.0 112.692 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -38.3 45.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.877 1.671 . . . . 10.0 113.057 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -67.29 -29.87 69.58 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 8.9 tpt -76.46 -32.62 58.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.611 1.096 . . . . 10.0 111.653 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.12 -34.59 76.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.673 -1.267 . . . . 10.0 111.611 169.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -65.98 -42.13 90.23 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.402 -0.812 . . . . 10.0 112.3 169.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -52.56 64.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.128 0.971 . . . . 10.0 110.453 173.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 13.4 t -53.52 -44.87 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.534 1.934 . . . . 10.0 112.436 174.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.19 78.92 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.449 1.099 . . . . 10.0 112.742 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.513 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.12 -45.63 92.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 10.0 111.204 172.074 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.518 0.727 . . . . 10.0 111.692 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.76 -45.06 91.54 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.911 0.778 . . . . 10.0 113.095 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.94 -44.35 94.41 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.638 1.175 . . . . 10.0 112.017 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.07 -40.18 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 118.715 -0.659 . . . . 10.0 111.872 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -39.8 68.26 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.226 1.376 . . . . 10.0 111.822 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.01 76.65 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.153 0.882 . . . . 10.0 113.976 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.22 -33.94 61.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.98 1.39 . . . . 10.0 111.478 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 19.0 mmt -68.54 -38.27 80.68 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.682 0.793 . . . . 10.0 110.792 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -66.14 -48.97 69.04 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.124 1.37 . . . . 10.0 112.591 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.94 -21.02 63.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p -97.72 -30.19 12.95 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.299 1.222 . . . . 10.0 114.299 -175.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.31 143.07 57.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.274 1.029 . . . . 10.0 113.149 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -82.05 -21.36 36.95 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.507 1.123 . . . . 10.0 113.163 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.4 p -142.27 162.21 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.472 1.509 . . . . 10.0 112.61 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.9 ttp-105 -60.2 -37.48 80.37 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.114 0.965 . . . . 10.0 112.47 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.39 -42.74 95.97 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.648 1.179 . . . . 10.0 112.839 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.67 -39.22 84.5 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.239 -0.913 . . . . 10.0 111.93 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.44 -54.74 43.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.354 1.062 . . . . 10.0 111.592 172.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -50.65 -46.25 58.34 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.22 1.008 . . . . 10.0 112.845 170.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -61.65 -42.95 99.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.377 0.99 . . . . 10.0 112.143 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.67 -42.07 99.42 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.064 0.946 . . . . 10.0 112.407 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.0 -45.27 95.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.581 -0.699 . . . . 10.0 112.187 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.55 64.04 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.699 -0.626 . . . . 10.0 112.511 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.049 -1.032 . . . . 10.0 111.219 169.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.26 -41.88 99.1 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.264 -0.874 . . . . 10.0 112.572 173.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 6.9 mm -53.39 -57.32 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.178 0.899 . . . . 10.0 109.037 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 658' ' ' TYR . . . . . 0.418 ' CE1' HG23 ' A' ' 295' ' ' ILE . 25.9 t80 -59.21 -57.35 13.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.442 1.097 . . . . 10.0 111.739 -170.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.3 tmtt? -55.32 -51.79 65.58 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.855 0.862 . . . . 10.0 112.26 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.85 -40.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 122.879 0.472 . . . . 10.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.33 -57.5 6.51 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.611 -0.681 . . . . 10.0 112.108 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -67.3 -25.08 65.86 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.84 -59.46 3.85 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.808 0.731 . . . . 10.0 110.621 169.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.46 -42.71 83.06 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.963 0.905 . . . . 10.0 113.091 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -59.34 -18.81 41.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.09 -32.53 6.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.337 1.055 . . . . 10.0 112.709 172.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 667' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' B' ' 667' ' ' LYS . 0.0 OUTLIER -68.42 -30.46 69.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.056 -1.028 . . . . 10.0 112.892 -178.079 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -67.32 -40.77 85.99 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.257 1.023 . . . . 10.0 111.914 169.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -75.56 -23.52 56.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.722 1.609 . . . . 10.0 113.926 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 59.8 m -129.77 41.62 3.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.303 1.841 . . . . 10.0 111.635 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -17.16 30.84 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.133 1.901 . . . . 10.0 116.133 -175.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 129.183 2.993 . . . . 10.0 113.768 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.862 0.363 . . . . 10.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -149.72 135.21 18.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.337 1.055 . . . . 10.0 111.041 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -139.1 14.3 2.63 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.966 1.706 . . . . 10.0 112.386 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 140.4 24.26 0.26 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.45 1.5 . . . . 10.0 114.214 -174.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -56.51 -23.9 42.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.305 1.442 . . . . 10.0 114.412 -169.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 52.4 mt -63.15 -19.79 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.658 1.183 . . . . 10.0 113.267 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.9 tp -134.16 84.57 41.79 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.33 1.452 . . . . 10.0 110.047 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.513 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 45.7 Cg_exo -43.05 134.15 5.81 Favored 'Trans proline' 0 C--N 1.351 0.706 1 C-N-CA 126.445 4.763 . . . . 10.0 114.171 171.691 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 58.2 p -61.57 -36.5 80.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.558 1.318 . . . . 10.0 114.558 -174.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.58 -38.49 91.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.852 0.861 . . . . 10.0 112.4 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.34 -46.94 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 123.476 0.711 . . . . 10.0 109.867 169.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 20.9 ttt -57.45 -48.78 78.24 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.632 0.651 . . . . 10.0 112.426 -173.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.02 -43.05 86.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.247 0.619 . . . . 10.0 112.397 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.47 -46.6 89.35 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.911 0.885 . . . . 10.0 111.84 171.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.307 -0.871 . . . . 10.0 112.274 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.27 -43.09 71.21 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.527 1.512 . . . . 10.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.93 -27.38 67.44 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -175.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.11 -47.71 60.63 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.54 1.681 . . . . 10.0 115.54 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.9 p -80.13 -34.08 0.81 Allowed Pre-proline 0 N--CA 1.48 1.064 0 N-CA-C 117.98 2.585 . . . . 10.0 117.98 -169.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.47 122.6 11.56 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.79 2.326 . . . . 10.0 114.243 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 64.8 p -79.04 -18.66 53.11 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.113 1.153 . . . . 10.0 114.113 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -67.15 -10.08 46.56 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.989 1.477 . . . . 10.0 114.989 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -61.12 -12.46 12.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.926 1.69 . . . . 10.0 115.308 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -133.73 13.35 4.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.536 1.534 . . . . 10.0 113.251 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 59.4 tp -68.02 110.85 4.1 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.766 1.226 . . . . 10.0 111.531 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 156.2 -26.59 0.55 Allowed Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.582 1.087 . . . . 10.0 114.683 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -150.64 146.64 26.63 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.333 1.453 . . . . 10.0 111.287 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 46.7 m -63.72 144.16 97.93 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.368 1.067 . . . . 10.0 113.185 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.12 164.48 35.32 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.447 2.765 . . . . 10.0 112.641 174.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -151.28 146.99 26.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.56 1.544 . . . . 10.0 110.642 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.796 1.639 . . . . 10.0 111.433 178.019 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 N--CA 1.496 1.857 0 N-CA-C 112.376 0.51 . . . . 10.0 112.376 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -38.76 -42.95 0.86 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 128.946 2.898 . . . . 10.0 116.174 -169.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.38 -59.87 4.76 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.212 1.005 . . . . 10.0 112.872 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -27.5 67.45 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 178.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 20.8 mm -61.4 -50.31 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.817 0.847 . . . . 10.0 110.253 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -69.78 -39.71 76.46 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.194 0.598 . . . . 10.0 112.189 173.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.48 -46.66 83.47 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.982 0.913 . . . . 10.0 112.675 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.54 -43.49 93.47 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.419 1.088 . . . . 10.0 111.874 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.34 -45.06 77.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.601 0.76 . . . . 10.0 111.828 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 51.0 tp -72.99 -28.04 62.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.669 1.587 . . . . 10.0 113.785 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.49 -45.28 66.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.832 1.253 . . . . 10.0 112.843 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.72 -56.15 17.86 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.852 0.861 . . . . 10.0 111.377 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.16 -25.4 65.5 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 70.2 m -65.6 -19.73 66.03 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.75 1.389 . . . . 10.0 114.75 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 49.8 m -54.75 -42.35 71.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.04 -21.61 66.39 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -78.25 -29.03 47.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.665 0.666 . . . . 10.0 112.372 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -80.45 -23.95 39.9 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.519 1.128 . . . . 10.0 112.941 175.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.5 5.9 0.52 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.529 1.931 . . . . 10.0 114.812 170.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -56.64 -25.04 52.3 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.325 1.45 . . . . 10.0 113.841 169.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -60.97 129.31 46.24 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.758 1.17 . . . . 10.0 112.517 173.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -147.65 6.18 0.82 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.888 1.44 . . . . 10.0 114.888 -169.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -70.42 -8.31 49.85 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.262 1.578 . . . . 10.0 115.262 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -105.21 0.74 27.56 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.206 1.402 . . . . 10.0 114.131 -176.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--O 1.254 1.32 0 C-N-CA 125.331 1.452 . . . . 10.0 112.664 175.682 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.967 -0.453 . . . . 10.0 111.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.01 -29.19 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.929 1.292 . . . . 10.0 112.938 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -141.19 163.62 32.46 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.872 2.069 . . . . 10.0 110.482 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -86.81 14.86 6.46 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.817 1.247 . . . . 10.0 114.032 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 82.85 -47.04 3.72 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 125.798 1.666 . . . . 10.0 114.721 170.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -62.37 -15.58 49.43 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.795 1.238 . . . . 10.0 114.177 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -57.88 -26.41 62.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.999 1.72 . . . . 10.0 112.568 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.26 -22.23 64.64 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.101 1.36 . . . . 10.0 113.958 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -81.66 -2.29 49.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 90.5 t -117.57 151.63 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.304 1.441 . . . . 10.0 111.5 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.0 p -130.84 158.64 39.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.909 1.684 . . . . 10.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.05 -31.16 68.61 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.619 -0.676 . . . . 10.0 112.582 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.2 -41.55 94.42 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.508 -0.745 . . . . 10.0 112.342 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.75 -52.6 62.58 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 119.186 -0.435 . . . . 10.0 110.744 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -52.31 -46.61 66.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.721 0.808 . . . . 10.0 112.097 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -50.55 73.51 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.542 1.137 . . . . 10.0 112.555 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -67.15 -41.14 86.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.013 0.525 . . . . 10.0 111.654 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.07 -40.43 96.24 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.228 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.9 t -58.7 -49.38 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.056 1.298 . . . . 10.0 111.259 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -59.41 -41.24 89.0 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.883 0.765 . . . . 10.0 112.251 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -70.1 -30.08 67.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.1 0.96 . . . . 10.0 113.279 176.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' B' ' 657' ' ' ILE . 2.7 tp -62.69 -52.87 61.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.062 0.945 . . . . 10.0 109.059 169.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.03 -49.66 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.317 1.447 . . . . 10.0 112.82 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -63.75 -32.11 73.5 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -175.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.469 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -83.5 -24.25 31.8 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.477 1.035 . . . . 10.0 112.849 176.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.58 -51.47 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 123.645 0.778 . . . . 10.0 109.789 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -144.83 114.63 5.07 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.688 0.795 . . . . 10.0 110.364 171.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -57.51 -11.09 7.97 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.375 3.383 . . . . 10.0 117.024 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 77.11 148.07 0.12 Allowed Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 127.986 2.514 . . . . 10.0 112.265 -172.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.45 -41.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.001 2.468 . . . . 10.0 112.144 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -157.18 154.7 26.6 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 128.694 2.798 . . . . 10.0 108.558 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.82 -18.96 31.63 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.731 2.288 . . . . 10.0 113.992 -170.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.98 70.16 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.509 -0.744 . . . . 10.0 112.886 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.84 75.13 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.476 -0.765 . . . . 10.0 112.681 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.24 -18.79 17.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.444 1.498 . . . . 10.0 114.322 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -119.01 17.01 13.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.035 1.734 . . . . 10.0 113.702 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.0 143.28 32.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.214 1.406 . . . . 10.0 111.053 174.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -48.19 -37.12 15.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.225 1.565 . . . . 10.0 115.225 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -41.28 75.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.678 1.191 . . . . 10.0 112.093 176.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.1 tpt -84.67 -32.19 23.75 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.304 0.642 . . . . 10.0 112.363 176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.36 -32.95 69.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.821 1.191 . . . . 10.0 113.142 171.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -64.82 -42.38 95.02 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.547 -0.72 . . . . 10.0 112.446 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.12 -44.75 87.7 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.456 0.703 . . . . 10.0 111.611 173.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 26.6 t -55.82 -44.8 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.774 1.63 . . . . 10.0 112.094 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.15 92.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.374 1.07 . . . . 10.0 112.366 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.535 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.8 OUTLIER -60.24 -45.4 93.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.972 0.909 . . . . 10.0 111.93 170.283 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.49 95.16 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.174 -0.954 . . . . 10.0 111.892 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.07 -43.03 99.51 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 119.199 0.909 . . . . 10.0 112.446 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.16 -46.88 88.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.429 1.092 . . . . 10.0 111.988 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.41 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 10.0 110.958 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -56.44 -44.47 80.5 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.926 0.89 . . . . 10.0 112.362 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.14 -31.81 80.4 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.004 0.812 . . . . 10.0 114.083 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.28 -37.16 61.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.558 1.179 . . . . 10.0 111.635 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.3 mmt -68.83 -39.63 79.89 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.156 0.982 . . . . 10.0 111.184 174.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -59.4 -48.76 80.39 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.271 1.429 . . . . 10.0 112.531 171.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.48 -28.47 69.23 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.4 m -79.98 -30.36 39.72 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.73 136.85 40.33 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.609 1.337 . . . . 10.0 114.609 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.29 -23.33 62.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.674 1.589 . . . . 10.0 113.739 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.8 p -154.46 166.16 34.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.837 1.255 . . . . 10.0 112.907 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -40.52 66.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.338 1.455 . . . . 10.0 112.846 171.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -43.18 70.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.44 0.696 . . . . 10.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.91 -35.93 81.97 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.725 -0.609 . . . . 10.0 112.062 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -59.02 -56.85 16.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.896 1.278 . . . . 10.0 112.035 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.3 -44.98 65.36 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -59.7 -44.53 93.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.62 0.646 . . . . 10.0 111.839 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.45 -44.62 95.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.404 1.082 . . . . 10.0 112.594 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 40.9 mt -59.65 -54.78 42.44 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.721 0.691 . . . . 10.0 111.334 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.8 76.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.083 0.953 . . . . 10.0 112.918 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.14 -44.86 82.98 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.182 -0.949 . . . . 10.0 112.32 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 656' ' ' LYS . . . . . 0.412 ' HG2' HG21 ' C' ' 844' ' ' ILE . 12.3 mptt -73.69 -27.94 61.48 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.142 0.883 . . . . 10.0 112.147 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.6 mm -61.85 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.14 0.976 . . . . 10.0 110.122 168.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -56.88 -49.46 75.46 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.998 0.919 . . . . 10.0 111.138 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -52.41 -54.75 28.0 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.693 1.133 . . . . 10.0 112.935 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 66.3 mt -56.17 -43.73 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.019 0.928 . . . . 10.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -74.81 -48.85 23.1 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.897 -0.502 . . . . 10.0 112.259 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -61.77 -30.22 70.65 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.35 1.86 . . . . 10.0 113.1 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.28 -53.74 10.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.491 0.716 . . . . 10.0 111.608 171.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.41 -36.76 84.81 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.78 1.03 . . . . 10.0 113.78 -175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.21 -10.38 10.5 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.725 1.38 . . . . 10.0 114.725 173.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -109.47 -45.1 3.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.798 1.239 . . . . 10.0 111.813 172.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.05 -6.49 6.45 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.984 1.476 . . . . 10.0 114.984 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -109.26 6.92 25.03 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.152 1.781 . . . . 10.0 113.341 171.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -130.67 -14.41 3.62 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.433 1.893 . . . . 10.0 113.38 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 68.6 p -65.09 -17.24 64.29 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.894 2.078 . . . . 10.0 115.104 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -71.49 86.67 0.87 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.13 1.372 . . . . 10.0 110.653 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 127.042 2.137 . . . . 10.0 110.308 -174.136 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.337 -0.363 . . . . 10.0 111.81 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -148.43 155.11 40.79 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.039 1.336 . . . . 10.0 111.297 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -150.01 164.93 34.21 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.091 1.357 . . . . 10.0 112.181 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 160.51 -22.91 0.25 Allowed Glycine 0 CA--C 1.535 1.298 0 N-CA-C 115.112 0.805 . . . . 10.0 115.112 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -72.16 29.46 0.05 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.298 1.839 . . . . 10.0 114.609 -178.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 844' ' ' ILE . . . . . 0.412 HG21 ' HG2' ' B' ' 656' ' ' LYS . 22.6 mt -71.96 -4.39 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.165 1.386 . . . . 10.0 111.705 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.6 tp -130.92 78.95 72.59 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 127.288 2.235 . . . . 10.0 107.94 169.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.535 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 46.7 Cg_exo -45.31 137.0 11.01 Favored 'Trans proline' 0 C--N 1.353 0.782 1 C-N-CA 126.135 4.557 . . . . 10.0 114.256 177.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -36.63 65.85 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -172.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.54 -37.3 84.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.861 0.865 . . . . 10.0 113.259 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.14 -41.95 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.036 0.535 . . . . 10.0 109.828 170.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.44 -48.66 68.61 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.471 0.708 . . . . 10.0 111.884 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.86 -40.34 69.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.041 0.937 . . . . 10.0 113.25 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -62.53 -52.53 63.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.741 0.817 . . . . 10.0 111.033 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.9 t -55.2 -43.81 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.012 0.823 . . . . 10.0 111.847 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.0 -41.67 95.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.493 0.717 . . . . 10.0 112.747 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -69.29 -39.24 78.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.009 0.924 . . . . 10.0 112.615 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.65 -51.64 53.97 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 62.1 p -68.35 -34.03 5.38 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 116.249 1.944 . . . . 10.0 116.249 -169.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -63.29 -48.94 5.27 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.469 2.113 . . . . 10.0 114.01 171.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 75.5 p -169.75 -26.33 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 116.914 2.19 . . . . 10.0 116.914 -170.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 43.0 mtt -82.4 55.98 3.1 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.469 1.486 . . . . 10.0 113.408 -169.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.99 -17.85 7.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.677 1.991 . . . . 10.0 115.592 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -128.79 30.91 5.03 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.356 1.463 . . . . 10.0 113.222 -169.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 53.0 tp -135.2 141.19 45.8 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.218 1.407 . . . . 10.0 111.617 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 164.77 167.04 24.71 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.77 1.176 . . . . 10.0 112.796 171.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -147.45 154.94 41.43 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.803 1.241 . . . . 10.0 110.751 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 16.6 m -117.17 160.08 38.75 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.047 1.339 . . . . 10.0 110.999 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -65.86 -11.56 31.4 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.689 2.26 . . . . 10.0 114.504 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -101.8 -4.38 26.45 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.438 1.495 . . . . 10.0 114.359 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.152 1.381 . . . . 10.0 113.005 179.086 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 48.7 pttt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 111.46 0.17 . . . . 10.0 111.46 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 292' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 293' ' ' LYS . 8.3 tt0 -153.69 -159.22 0.95 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.855 0.862 . . . . 10.0 112.316 -178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 293' ' ' LYS . . . . . 0.427 ' H ' ' HG2' ' A' ' 292' ' ' GLU . 20.0 pttm -40.94 -26.24 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 128.437 2.695 . . . . 10.0 117.61 -175.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.28 -32.89 26.36 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.719 1.145 . . . . 10.0 112.438 169.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 28.7 mm -58.84 -52.57 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.077 1.751 . . . . 10.0 111.766 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -72.54 -36.73 68.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 119.35 -0.357 . . . . 10.0 111.601 175.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.92 -47.41 77.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.32 1.448 . . . . 10.0 112.724 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.11 -43.04 99.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.441 1.096 . . . . 10.0 112.061 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.48 -46.39 76.49 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.398 0.679 . . . . 10.0 111.134 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.55 -24.7 67.92 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.697 2.399 . . . . 10.0 113.838 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.83 -35.28 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.66 -25.63 53.94 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.891 0.768 . . . . 10.0 112.77 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -79.4 -35.52 40.56 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.946 -1.096 . . . . 10.0 110.892 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 56.5 m -52.31 -30.66 29.35 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.106 1.762 . . . . 10.0 112.651 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 305' ' ' THR . . . . . 0.402 HG23 ' CD2' ' B' ' 602' ' ' HIS . 53.9 m -45.97 -40.66 10.69 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.019 1.728 . . . . 10.0 113.806 171.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.72 -29.79 69.86 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.167 -0.958 . . . . 10.0 113.167 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -80.05 -40.96 26.61 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.62 0.768 . . . . 10.0 112.184 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.09 -42.09 80.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.985 0.914 . . . . 10.0 112.162 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.74 -0.73 1.56 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.269 1.428 . . . . 10.0 114.556 174.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -128.42 2.49 5.65 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.947 2.099 . . . . 10.0 112.913 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 162.2 70.95 0.02 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.013 0.816 . . . . 10.0 114.215 -174.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -53.28 -25.88 16.33 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.235 1.414 . . . . 10.0 114.784 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -66.16 -15.34 63.05 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.691 1.596 . . . . 10.0 114.099 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -137.29 179.94 6.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.899 1.28 . . . . 10.0 113.439 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 C--O 1.251 1.158 0 C-N-CA 126.805 2.042 . . . . 10.0 111.724 -172.701 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.742 -0.543 . . . . 10.0 111.742 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.72 -15.46 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.822 1.249 . . . . 10.0 113.021 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -52.89 -17.73 1.56 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 126.885 2.074 . . . . 10.0 115.824 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -61.94 -20.17 63.52 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.33 1.452 . . . . 10.0 113.66 171.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 81.85 -38.23 2.52 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 126.15 1.833 . . . . 10.0 115.486 170.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -60.54 -22.19 63.37 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.239 1.2 . . . . 10.0 114.239 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -53.44 -31.5 45.67 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.519 1.928 . . . . 10.0 113.771 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.71 -12.25 60.12 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.933 1.293 . . . . 10.0 114.086 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -95.14 9.95 37.71 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.137 1.375 . . . . 10.0 113.841 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.79 107.32 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.048 1.339 . . . . 10.0 109.419 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.9 p -71.14 159.12 35.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.849 0.86 . . . . 10.0 111.992 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.1 -32.84 72.51 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.662 -0.649 . . . . 10.0 112.077 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.65 -46.0 84.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.032 0.933 . . . . 10.0 111.886 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.03 -47.39 86.06 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.343 0.657 . . . . 10.0 110.821 174.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -54.71 -51.31 65.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.73 1.212 . . . . 10.0 112.62 175.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.6 m -59.12 -50.68 73.14 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.279 1.032 . . . . 10.0 112.01 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 602' ' ' HIS . . . . . 0.402 ' CD2' HG23 ' A' ' 305' ' ' THR . 5.4 t60 -69.3 -43.32 74.03 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.813 -0.613 . . . . 10.0 111.558 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.65 -40.89 96.5 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.803 1.183 . . . . 10.0 112.811 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.61 -50.12 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 119.457 1.026 . . . . 10.0 110.778 171.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.34 -42.03 99.06 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.856 0.753 . . . . 10.0 112.836 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -58.26 -44.37 88.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.747 1.219 . . . . 10.0 111.432 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -49.58 76.57 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.519 0.728 . . . . 10.0 111.318 175.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.67 -45.68 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.935 0.894 . . . . 10.0 112.067 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -68.05 -38.44 82.48 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -69.36 -25.03 63.98 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.128 0.876 . . . . 10.0 113.293 174.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mt -73.04 -52.51 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.77 0.714 . . . . 10.0 109.388 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.38 106.74 5.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.351 1.06 . . . . 10.0 111.646 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.54 93.48 0.25 Allowed 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 124.059 3.173 . . . . 10.0 110.522 169.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 2.8 p -56.24 139.11 73.4 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 10.0 113.315 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.58 -29.53 19.84 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.902 2.401 . . . . 10.0 113.547 -172.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.77 167.78 13.79 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.924 1.69 . . . . 10.0 111.744 -173.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.12 -17.22 31.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.558 2.172 . . . . 10.0 114.744 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.73 -35.91 57.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.269 1.395 . . . . 10.0 111.81 169.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.79 69.52 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.754 1.02 . . . . 10.0 113.754 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 61.5 mt -51.62 -25.24 6.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.989 1.716 . . . . 10.0 114.373 171.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -125.57 17.77 8.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.891 1.676 . . . . 10.0 113.529 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.33 146.95 37.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.329 0.652 . . . . 10.0 110.622 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -29.33 20.37 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -90.34 -28.04 18.99 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.134 0.974 . . . . 10.0 112.923 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.49 -39.58 88.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.295 0.952 . . . . 10.0 111.923 171.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -56.9 -39.06 73.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 10.0 112.462 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.27 -39.8 82.05 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.577 -0.702 . . . . 10.0 111.902 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.85 -47.64 84.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.632 0.773 . . . . 10.0 111.543 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 9.9 t -54.72 -43.66 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.847 1.659 . . . . 10.0 111.922 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.14 74.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.607 1.163 . . . . 10.0 112.908 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.486 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.24 -44.37 97.36 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.532 -0.73 . . . . 10.0 111.121 173.522 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.01 89.39 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.755 0.822 . . . . 10.0 111.642 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.6 -43.81 93.6 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.904 0.774 . . . . 10.0 112.801 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.21 -50.9 69.95 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.562 1.145 . . . . 10.0 112.27 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.73 -32.03 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 118.865 -0.588 . . . . 10.0 112.101 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.54 -42.6 71.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.89 1.223 . . . . 10.0 111.332 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -69.95 -31.57 69.77 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.398 0.999 . . . . 10.0 114.481 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.33 -41.38 69.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.714 1.257 . . . . 10.0 111.571 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.4 mmt -66.84 -40.14 87.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.666 1.186 . . . . 10.0 111.56 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.17 -49.3 78.38 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.22 1.408 . . . . 10.0 112.606 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.5 -30.66 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.375 -0.828 . . . . 10.0 112.834 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.0 m -81.76 -17.36 47.98 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 -174.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.31 142.68 27.71 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.071 0.948 . . . . 10.0 113.272 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -89.18 -4.78 58.12 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.615 1.166 . . . . 10.0 113.958 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 53.7 p -151.94 163.39 39.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.13 1.372 . . . . 10.0 112.229 173.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -61.49 -39.96 92.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.099 0.96 . . . . 10.0 112.674 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.33 -42.29 96.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.778 0.831 . . . . 10.0 112.078 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.36 -36.79 83.79 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.593 -0.692 . . . . 10.0 112.249 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -54.88 42.0 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.797 0.839 . . . . 10.0 111.719 172.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -53.63 -44.59 69.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.247 0.476 . . . . 10.0 112.177 171.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.87 -40.94 99.04 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.425 -0.797 . . . . 10.0 112.361 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.52 -42.24 98.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.084 0.954 . . . . 10.0 112.271 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.9 -48.53 81.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.463 0.574 . . . . 10.0 111.754 173.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.15 -28.53 61.36 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.59 -42.32 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.913 -1.117 . . . . 10.0 111.602 170.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -60.36 -33.84 73.01 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.063 0.847 . . . . 10.0 112.105 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' B' ' 610' ' ' ALA . 14.1 mm -68.22 -46.41 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.257 0.935 . . . . 10.0 112.679 173.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -58.47 -48.56 80.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.012 0.824 . . . . 10.0 110.807 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -47.89 -57.98 4.98 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.058 1.743 . . . . 10.0 112.531 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.34 -56.09 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.462 0.705 . . . . 10.0 111.201 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.27 -36.52 69.02 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -66.35 -43.21 86.67 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.822 1.192 . . . . 10.0 112.005 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.51 -41.15 80.37 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.069 0.548 . . . . 10.0 111.893 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.59 -44.64 85.99 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.43 -37.29 72.55 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.543 1.065 . . . . 10.0 112.349 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.32 -42.92 87.81 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.929 -1.107 . . . . 10.0 112.704 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -74.23 -8.22 55.43 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.894 1.278 . . . . 10.0 113.874 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -113.65 -20.13 11.32 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.723 1.609 . . . . 10.0 113.152 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -67.35 -17.35 64.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.857 1.263 . . . . 10.0 112.569 169.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 23.6 m -51.14 114.41 1.19 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.042 1.737 . . . . 10.0 112.326 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 71.38 5.81 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.038 1.335 . . . . 10.0 110.637 175.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.918 2.087 . . . . 10.0 113.268 178.192 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.292 0.092 . . . . 10.0 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -154.44 160.39 41.59 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.204 1.402 . . . . 10.0 111.48 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -140.42 0.54 1.68 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.287 1.835 . . . . 10.0 113.437 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.11 -6.17 34.49 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.754 1.645 . . . . 10.0 114.096 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -151.59 172.55 15.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.665 1.986 . . . . 10.0 111.483 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 11.2 mt -126.88 -49.17 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.225 1.01 . . . . 10.0 109.855 170.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.62 115.38 21.78 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.402 1.481 . . . . 10.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.486 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 72.4 Cg_exo -51.79 135.8 50.24 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.657 3.571 . . . . 10.0 112.22 172.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.0 p -63.62 -36.7 84.69 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.745 1.017 . . . . 10.0 113.745 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -70.53 -25.34 63.08 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.671 1.188 . . . . 10.0 113.299 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 47.3 mm -80.0 -41.27 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.132 0.973 . . . . 10.0 110.976 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.5 ttt -52.5 -45.92 66.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.775 0.83 . . . . 10.0 111.343 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.16 -45.16 64.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.332 1.053 . . . . 10.0 113.324 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.15 -46.86 79.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.638 0.775 . . . . 10.0 111.513 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.2 -39.18 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.777 0.831 . . . . 10.0 111.425 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.43 -44.73 82.06 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.288 0.949 . . . . 10.0 112.222 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.02 -27.46 57.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.302 1.223 . . . . 10.0 114.302 -173.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.46 -41.47 63.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 115.206 1.558 . . . . 10.0 115.206 -173.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 44.7 p -76.88 -35.17 1.37 Allowed Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 115.819 1.785 . . . . 10.0 115.819 -171.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.87 170.6 17.79 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 122.998 2.106 . . . . 10.0 111.616 169.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 24.9 m -64.66 -13.02 52.18 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 61.0 mtt -74.54 42.19 0.16 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.152 2.181 . . . . 10.0 113.277 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -56.3 148.43 18.68 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.036 1.334 . . . . 10.0 114.445 -174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -75.23 163.32 27.63 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.979 1.312 . . . . 10.0 113.011 178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 53.9 tp -149.3 145.1 26.88 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.672 1.589 . . . . 10.0 110.339 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 169.45 -171.6 43.22 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.361 0.982 . . . . 10.0 113.695 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.9 164.44 6.45 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.156 1.382 . . . . 10.0 114.346 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 32.7 t -152.95 147.6 19.25 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.735 1.614 . . . . 10.0 110.665 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.43 -9.95 26.98 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.179 2.586 . . . . 10.0 114.385 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -138.49 160.4 39.65 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.523 1.529 . . . . 10.0 111.628 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.254 1.822 . . . . 10.0 111.737 178.084 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 66.8 mttm . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 115.221 1.563 . . . . 10.0 115.221 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -42.23 -45.15 4.04 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 121.969 2.168 . . . . 10.0 116.836 -169.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.31 -47.1 87.49 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.133 0.879 . . . . 10.0 112.633 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -32.68 74.11 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.99 1.316 . . . . 10.0 112.168 174.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 295' ' ' ILE . . . . . 0.413 ' HA ' ' CE2' ' B' ' 658' ' ' TYR . 29.0 mm -62.4 -52.04 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 119.42 1.009 . . . . 10.0 110.831 172.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.51 -42.02 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.65 0.78 . . . . 10.0 111.964 175.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.76 -52.33 62.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.444 1.498 . . . . 10.0 112.609 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.94 -38.46 82.88 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.76 -0.587 . . . . 10.0 112.277 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.45 -43.27 94.79 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.453 -0.78 . . . . 10.0 111.743 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.8 -32.08 73.61 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.361 1.464 . . . . 10.0 113.362 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.48 -34.75 69.36 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.848 0.859 . . . . 10.0 113.025 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.13 -55.53 5.04 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.574 0.75 . . . . 10.0 111.011 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.6 mtm -56.72 -32.64 65.72 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -171.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 45.4 m -68.6 -20.02 64.48 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -57.69 -33.61 68.55 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.155 1.539 . . . . 10.0 115.155 -169.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.32 -24.09 64.73 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.298 -1.502 . . . . 10.0 114.499 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -78.8 -25.09 44.24 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.407 -0.808 . . . . 10.0 112.48 171.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -77.1 -34.65 56.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.391 1.076 . . . . 10.0 112.018 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.65 -8.34 14.04 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.901 1.28 . . . . 10.0 114.357 176.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -66.55 -9.19 32.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.34 1.456 . . . . 10.0 114.574 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -151.18 -179.69 27.12 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.564 1.078 . . . . 10.0 114.449 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -80.19 -2.52 45.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.13 1.372 . . . . 10.0 114.434 -173.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -137.86 160.27 39.75 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.974 1.71 . . . . 10.0 111.188 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -146.95 158.55 43.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.066 1.346 . . . . 10.0 112.167 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.271 1.828 . . . . 10.0 113.052 175.333 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.873 -0.491 . . . . 10.0 111.873 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.33 146.62 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.291 1.036 . . . . 10.0 111.022 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -63.36 23.29 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.914 2.886 . . . . 10.0 117.632 -174.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -68.7 32.74 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 128.212 2.605 . . . . 10.0 115.149 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -59.63 -18.2 44.2 Favored Glycine 0 CA--C 1.54 1.597 0 O-C-N 120.386 -1.446 . . . . 10.0 114.497 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -56.19 -20.35 17.61 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.98 -22.32 48.74 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.725 1.21 . . . . 10.0 112.97 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -20.35 55.53 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.007 1.323 . . . . 10.0 114.148 173.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -91.09 4.23 52.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 10.0 113.691 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 17.4 t -113.94 153.06 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.679 1.591 . . . . 10.0 111.031 -173.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 63.8 p -132.5 157.3 44.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.703 1.601 . . . . 10.0 110.511 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -59.49 -34.88 73.14 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.456 -0.777 . . . . 10.0 112.142 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -61.88 -40.19 94.56 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.582 -0.699 . . . . 10.0 112.225 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.79 -43.58 88.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.59 -0.719 . . . . 10.0 111.659 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -55.17 -50.04 70.33 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.462 1.028 . . . . 10.0 111.83 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.4 m -56.85 -49.12 76.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.461 1.105 . . . . 10.0 112.639 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -70.43 -37.19 74.36 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.767 -0.635 . . . . 10.0 111.84 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.52 -35.91 82.49 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.742 1.61 . . . . 10.0 112.255 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.4 t -59.38 -48.05 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.037 1.29 . . . . 10.0 109.86 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.15 -47.76 77.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.629 0.772 . . . . 10.0 112.57 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.1 87.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.878 1.271 . . . . 10.0 111.782 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.571 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.0 OUTLIER -56.38 -59.04 5.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.417 1.087 . . . . 10.0 109.345 169.6 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.02 -44.28 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.927 1.291 . . . . 10.0 112.976 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -58.65 -41.12 85.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.8 0.84 . . . . 10.0 112.936 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.48 -40.26 43.63 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.318 0.647 . . . . 10.0 112.462 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.14 -46.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.943 1.297 . . . . 10.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -141.36 101.43 6.16 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 123.635 0.774 . . . . 10.0 110.25 170.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.47 95.96 0.72 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.077 2.518 . . . . 10.0 109.027 169.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.7 p -54.18 148.69 21.64 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.983 1.713 . . . . 10.0 114.871 -171.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.66 -26.31 19.72 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.302 2.668 . . . . 10.0 113.236 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -161.36 150.21 13.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 126.811 2.044 . . . . 10.0 109.218 -170.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -67.48 -13.71 40.02 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.263 1.975 . . . . 10.0 114.291 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.87 -30.4 61.31 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.647 1.112 . . . . 10.0 111.957 169.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.69 67.85 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.173 -0.954 . . . . 10.0 112.805 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.0 -23.75 48.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.279 1.432 . . . . 10.0 113.803 170.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -104.18 -7.24 20.28 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.069 1.347 . . . . 10.0 114.31 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.25 150.07 49.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.736 0.814 . . . . 10.0 112.147 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -63.39 -27.3 69.21 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.739 -1.225 . . . . 10.0 112.451 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -67.47 -35.44 79.18 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.164 1.385 . . . . 10.0 111.829 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.1 tpt -74.05 -37.09 64.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 10.0 111.732 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.27 -36.86 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.815 -1.178 . . . . 10.0 113.231 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.26 -0.9 . . . . 10.0 111.941 170.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -38.41 86.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.761 0.825 . . . . 10.0 112.642 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -43.8 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.948 1.699 . . . . 10.0 111.586 171.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.65 88.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.043 0.937 . . . . 10.0 112.628 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -57.9 -45.48 86.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.496 1.118 . . . . 10.0 111.914 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.73 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.181 -0.949 . . . . 10.0 112.438 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.83 -44.27 94.15 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.317 0.962 . . . . 10.0 112.353 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -61.1 -46.07 92.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.185 0.994 . . . . 10.0 112.103 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.93 -52.36 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.4 0.546 . . . . 10.0 110.761 174.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -55.51 -45.16 77.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.969 0.804 . . . . 10.0 112.491 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.54 87.52 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.914 0.769 . . . . 10.0 114.178 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.65 -36.49 57.32 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.742 1.271 . . . . 10.0 111.939 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 32.9 mmt -68.35 -40.61 81.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.759 0.824 . . . . 10.0 110.814 175.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.41 -46.75 88.87 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.517 1.527 . . . . 10.0 112.955 172.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.58 -28.2 69.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.895 0.878 . . . . 10.0 112.728 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 67.7 m -87.34 -36.7 17.68 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.168 1.173 . . . . 10.0 114.168 -175.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.26 19.41 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.907 1.818 . . . . 10.0 115.907 -169.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -69.45 -22.81 63.62 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.066 1.746 . . . . 10.0 113.704 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 72.8 p -148.4 165.47 31.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.217 1.407 . . . . 10.0 112.998 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -57.14 -42.38 80.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.068 1.347 . . . . 10.0 112.364 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -43.75 87.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.117 0.967 . . . . 10.0 111.458 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.05 -34.56 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.841 -0.537 . . . . 10.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.1 -60.42 3.86 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.911 1.284 . . . . 10.0 112.096 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -51.32 -44.37 61.95 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 169.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.42 -42.6 99.56 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.023 0.829 . . . . 10.0 112.724 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.03 -44.43 89.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.613 1.165 . . . . 10.0 112.304 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.97 -53.94 50.84 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.2 0.6 . . . . 10.0 110.693 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -32.7 74.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.831 1.252 . . . . 10.0 113.353 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.22 -49.0 66.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.347 1.459 . . . . 10.0 112.226 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -63.16 -40.17 96.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.475 0.71 . . . . 10.0 110.888 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.5 mm -56.01 -38.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 124.575 1.15 . . . . 10.0 111.228 169.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 658' ' ' TYR . . . . . 0.413 ' CE2' ' HA ' ' A' ' 295' ' ' ILE . 0.1 OUTLIER -72.56 -42.9 64.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.655 1.116 . . . . 10.0 112.697 -178.708 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -50.54 -57.6 7.75 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.627 0.649 . . . . 10.0 109.381 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.07 -53.52 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 O-C-N 123.748 0.655 . . . . 10.0 111.431 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.55 -50.11 75.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.223 -0.923 . . . . 10.0 113.114 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.11 -52.21 37.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.145 0.978 . . . . 10.0 112.642 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.54 -31.68 68.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.113 . . . . 10.0 112.828 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.23 -61.6 1.84 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.512 0.725 . . . . 10.0 110.589 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -50.35 74.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.347 1.059 . . . . 10.0 113.752 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.28 -8.68 57.06 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.828 0.851 . . . . 10.0 113.241 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -102.61 -28.15 12.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.188 1.395 . . . . 10.0 112.573 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -33.08 74.91 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.246 1.018 . . . . 10.0 110.912 169.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -57.72 -31.24 66.24 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.95 1.7 . . . . 10.0 113.98 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 17.2 m -65.2 -9.78 26.17 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.591 1.7 . . . . 10.0 115.591 -174.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -63.05 -18.68 63.62 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.376 1.621 . . . . 10.0 115.376 176.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.663 1.985 . . . . 10.0 112.656 -178.777 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 119.584 -0.246 . . . . 10.0 110.417 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -66.7 161.83 22.6 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.813 1.245 . . . . 10.0 112.26 171.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -64.6 159.84 20.97 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.681 1.193 . . . . 10.0 113.296 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -179.68 -175.2 46.28 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.749 1.166 . . . . 10.0 113.403 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -144.38 132.08 21.2 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.11 1.364 . . . . 10.0 110.615 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 8.6 mm -58.89 -23.45 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.92 1.688 . . . . 10.0 113.562 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.4 tp -124.99 82.18 61.72 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.642 1.977 . . . . 10.0 110.444 -170.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.07 143.05 33.04 Favored 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 125.725 4.283 . . . . 10.0 114.689 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 15.8 m -56.0 -42.2 76.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.058 1.503 . . . . 10.0 115.058 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.45 -39.58 81.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.307 0.643 . . . . 10.0 112.652 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -67.24 -45.79 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.192 0.997 . . . . 10.0 110.679 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 60.8 ttp -58.65 -52.48 65.52 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.482 1.113 . . . . 10.0 111.979 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.85 -41.36 74.19 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.792 0.837 . . . . 10.0 113.077 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -61.56 -44.56 96.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.242 0.617 . . . . 10.0 112.114 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.92 -42.24 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.544 -0.722 . . . . 10.0 111.519 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.06 -37.43 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.948 1.249 . . . . 10.0 112.556 177.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.07 -47.42 74.35 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.908 1.283 . . . . 10.0 112.093 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -80.06 -40.7 27.13 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.143 1.534 . . . . 10.0 115.143 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.5 p -59.42 -28.9 5.06 Favored Pre-proline 0 N--CA 1.479 1.02 0 N-CA-C 117.76 2.504 . . . . 10.0 117.76 -173.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -75.12 -14.45 20.88 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 CA-C-N 123.182 2.172 . . . . 10.0 114.145 173.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 50.0 m -77.08 159.53 29.75 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.196 0.999 . . . . 10.0 112.819 178.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 36.5 tpp -152.43 166.84 30.67 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.105 1.362 . . . . 10.0 111.609 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -57.65 165.05 1.77 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.007 1.723 . . . . 10.0 113.505 174.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -138.35 -173.87 3.66 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.829 1.652 . . . . 10.0 112.121 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.16 147.66 19.98 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.055 1.342 . . . . 10.0 112.772 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 169.05 -158.13 30.53 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.807 1.67 . . . . 10.0 112.019 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -141.02 159.74 41.58 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.725 1.21 . . . . 10.0 112.645 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 75.7 m -144.77 155.27 56.2 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.594 1.558 . . . . 10.0 111.734 -173.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.5 166.47 27.17 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.247 2.631 . . . . 10.0 112.348 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -129.46 4.69 5.14 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.978 1.311 . . . . 10.0 113.379 -175.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.255 1.364 0 C-N-CA 126.134 1.774 . . . . 10.0 111.413 -177.517 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 291' ' ' LYS . . . . . 0.466 ' HE2' HD11 ' A' ' 295' ' ' ILE . 10.5 ptmm? . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.134 0.016 . . . . 10.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -139.15 -51.69 0.54 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.954 1.094 . . . . 10.0 113.954 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.8 -57.96 10.45 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -67.91 -28.09 67.2 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.273 0.629 . . . . 10.0 112.683 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 295' ' ' ILE . . . . . 0.466 HD11 ' HE2' ' A' ' 291' ' ' LYS . 42.3 mm -63.46 -53.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.416 1.086 . . . . 10.0 110.248 175.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -61.39 -42.42 98.69 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.221 1.008 . . . . 10.0 111.728 173.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.74 -56.93 14.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.664 1.186 . . . . 10.0 112.263 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.71 -42.56 88.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.768 1.227 . . . . 10.0 111.978 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -64.51 -39.74 94.33 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.159 0.583 . . . . 10.0 111.808 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.91 -25.47 62.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.872 1.669 . . . . 10.0 113.981 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 25.1 mt -51.89 -37.0 50.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.863 1.211 . . . . 10.0 113.625 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.57 -58.18 3.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.317 1.047 . . . . 10.0 112.32 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 70.5 mtm -60.68 -26.64 67.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.655 1.354 . . . . 10.0 114.655 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 90.1 p -68.83 -19.9 64.28 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 174.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.7 m -60.01 -29.72 68.67 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.53 -22.4 55.3 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.391 -1.443 . . . . 10.0 114.197 173.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -79.77 -31.91 40.93 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.321 0.964 . . . . 10.0 112.803 169.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.05 -37.89 89.06 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.099 -1.001 . . . . 10.0 111.948 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.41 -17.66 59.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.575 1.15 . . . . 10.0 113.962 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -72.03 -28.57 63.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.048 0.939 . . . . 10.0 113.09 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 138.19 168.65 11.37 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.521 1.534 . . . . 10.0 113.675 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.46 -24.09 67.5 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.375 1.07 . . . . 10.0 113.026 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -80.32 0.13 34.25 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.502 1.921 . . . . 10.0 113.942 -175.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -121.19 17.87 11.55 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.685 1.594 . . . . 10.0 113.517 -171.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.816 2.046 . . . . 10.0 110.737 -178.376 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 111.565 -0.614 . . . . 10.0 111.565 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 62.0 t -136.89 142.04 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.928 1.691 . . . . 10.0 109.219 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -136.64 163.47 30.49 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.266 1.426 . . . . 10.0 112.139 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -103.99 154.31 19.82 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.494 1.918 . . . . 10.0 111.34 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -153.32 4.19 0.33 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.283 1.273 . . . . 10.0 116.283 -173.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -68.49 -6.43 24.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.963 1.382 . . . . 10.0 114.248 172.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -57.07 -21.78 34.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.896 2.078 . . . . 10.0 114.558 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.41 -24.16 53.79 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.361 1.464 . . . . 10.0 114.077 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.43 -4.55 40.19 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 74.8 t -133.06 157.99 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.562 1.945 . . . . 10.0 110.409 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 12.2 t -147.11 159.48 43.56 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.992 1.317 . . . . 10.0 110.668 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -55.33 -39.3 69.81 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.502 -0.749 . . . . 10.0 112.481 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.16 -28.04 69.13 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.55 -52.19 28.6 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.342 0.657 . . . . 10.0 109.708 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.75 -38.35 81.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.675 1.19 . . . . 10.0 113.561 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.9 m -48.08 -45.32 32.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.709 0.804 . . . . 10.0 112.838 170.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -75.53 -41.36 55.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.472 0.709 . . . . 10.0 111.622 176.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.45 -34.57 77.06 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.155 1.343 . . . . 10.0 112.923 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.88 -48.82 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.188 0.995 . . . . 10.0 109.971 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -60.85 -38.25 84.87 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.905 0.775 . . . . 10.0 112.89 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.26 -46.04 91.18 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.976 1.31 . . . . 10.0 111.663 174.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.37 -53.38 58.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.536 1.134 . . . . 10.0 110.3 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.75 -40.57 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.863 1.265 . . . . 10.0 113.244 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.71 -36.13 83.3 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.022 1.283 . . . . 10.0 112.892 177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.03 73.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.197 0.453 . . . . 10.0 112.158 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 29.3 mt -69.55 -46.17 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.613 0.765 . . . . 10.0 111.452 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 612' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 0.6 OUTLIER -142.9 104.56 5.26 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.189 0.995 . . . . 10.0 110.618 171.156 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.47 92.57 0.13 Allowed 'Trans proline' 0 CA--C 1.548 1.197 0 C-N-CA 124.303 3.335 . . . . 10.0 110.676 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.8 t -51.07 143.29 16.48 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 126.297 1.839 . . . . 10.0 114.858 -171.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.438 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 83.4 Cg_endo -80.68 -25.96 4.09 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.216 2.611 . . . . 10.0 113.011 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -164.98 147.76 7.02 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.106 1.762 . . . . 10.0 110.333 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.33 -12.9 36.31 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.363 2.042 . . . . 10.0 114.322 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.61 -25.06 36.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.931 1.241 . . . . 10.0 112.201 169.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.51 -27.62 67.14 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.924 -1.11 . . . . 10.0 112.338 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.01 -19.47 12.77 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.396 1.478 . . . . 10.0 114.315 171.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -119.79 16.18 12.67 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.393 1.477 . . . . 10.0 114.022 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.18 148.72 43.69 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.628 -0.67 . . . . 10.0 110.95 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -31.59 64.13 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.703 1.201 . . . . 10.0 114.047 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -85.12 -29.32 24.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.69 -34.79 79.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.0 0.818 . . . . 10.0 111.038 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.13 -38.1 72.97 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.731 1.15 . . . . 10.0 113.086 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -66.97 -41.58 86.61 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.604 -0.685 . . . . 10.0 111.527 174.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.92 -45.79 92.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.663 1.185 . . . . 10.0 111.941 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 8.0 t -57.11 -46.43 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.463 1.505 . . . . 10.0 111.699 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.8 89.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.408 1.083 . . . . 10.0 112.613 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 5.4 t80 -58.97 -45.88 89.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.854 1.262 . . . . 10.0 111.886 171.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.9 89.18 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.959 0.904 . . . . 10.0 112.351 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.34 -44.03 97.45 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.093 0.861 . . . . 10.0 112.4 170.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -46.99 88.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.14 1.376 . . . . 10.0 111.738 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.69 -52.02 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.895 0.878 . . . . 10.0 110.689 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -54.75 -46.8 74.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.349 0.977 . . . . 10.0 111.944 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.99 -27.28 72.04 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.032 0.825 . . . . 10.0 114.418 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -82.09 -39.62 23.12 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.724 1.262 . . . . 10.0 111.348 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 16.9 mmt -65.36 -38.7 90.86 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.909 0.884 . . . . 10.0 111.331 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.34 -25.15 65.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.144 1.778 . . . . 10.0 113.723 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -99.21 -5.1 30.56 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.649 1.18 . . . . 10.0 113.046 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.3 m -107.58 11.46 28.62 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.276 1.431 . . . . 10.0 114.156 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.38 149.75 51.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.774 1.229 . . . . 10.0 113.038 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -5.55 45.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.021 1.328 . . . . 10.0 113.534 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 77.5 p -152.16 162.71 40.72 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.502 1.521 . . . . 10.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -56.0 -42.0 75.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.551 1.14 . . . . 10.0 111.996 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -43.4 95.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.344 1.058 . . . . 10.0 112.007 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.25 -38.57 85.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.618 -0.676 . . . . 10.0 112.071 173.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.3 -51.27 70.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.133 0.973 . . . . 10.0 112.315 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.31 75.62 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 170.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.79 -39.05 87.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.572 0.624 . . . . 10.0 112.388 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.94 -44.14 85.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.635 0.774 . . . . 10.0 112.52 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.33 -46.86 79.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.223 0.919 . . . . 10.0 111.045 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.39 73.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.352 1.061 . . . . 10.0 113.29 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.44 -42.13 99.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.462 -0.774 . . . . 10.0 111.492 171.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -35.25 72.69 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.503 175.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.15 -52.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.735 1.152 . . . . 10.0 109.071 168.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 658' ' ' TYR . . . . . 0.424 ' HE2' HD12 ' A' ' 295' ' ' ILE . 57.3 t80 -56.37 -50.88 70.26 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.872 0.869 . . . . 10.0 111.739 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.0 tmpt? -56.01 -51.56 67.33 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.744 0.818 . . . . 10.0 112.086 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.99 -37.78 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.09 0.556 . . . . 10.0 110.491 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -65.18 -48.99 71.53 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.228 -0.92 . . . . 10.0 111.431 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 662' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.2 mmpt? -64.92 -36.07 83.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.646 1.578 . . . . 10.0 112.564 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.44 -52.51 64.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 10.0 111.886 170.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.77 -41.26 86.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.826 1.194 . . . . 10.0 112.212 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -65.73 -0.46 2.16 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -125.67 -35.07 2.57 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 10.0 112.718 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.85 -13.48 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.53 1.532 . . . . 10.0 114.135 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -111.9 -1.03 15.63 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.541 1.537 . . . . 10.0 113.448 171.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -77.24 -23.54 51.29 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.652 1.181 . . . . 10.0 111.998 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 60.8 p -58.63 -12.92 4.64 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.714 2.006 . . . . 10.0 115.941 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -64.69 -24.22 67.51 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.193 1.397 . . . . 10.0 114.015 172.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.364 1.466 . . . . 10.0 112.63 177.685 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.539 0.209 . . . . 10.0 111.294 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -144.31 150.72 38.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.072 1.349 . . . . 10.0 111.524 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -69.71 -21.24 63.5 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.128 1.529 . . . . 10.0 115.128 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 160.47 -39.55 0.44 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.421 1.01 . . . . 10.0 113.559 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -150.4 145.2 25.93 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.397 1.479 . . . . 10.0 110.225 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.87 -26.91 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 127.019 2.128 . . . . 10.0 115.204 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 24.8 tp -110.72 99.7 42.83 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.584 1.954 . . . . 10.0 111.953 -169.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 93.2 Cg_exo -51.26 148.53 18.52 Favored 'Trans proline' 0 C--N 1.351 0.669 1 C-N-CA 125.785 4.323 . . . . 10.0 114.815 171.647 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -58.83 -36.26 74.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.4 -37.72 87.82 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.991 0.814 . . . . 10.0 112.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.4 mp -77.18 -44.8 30.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.708 0.803 . . . . 10.0 109.393 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 63.1 ttp -53.92 -51.08 64.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.732 0.696 . . . . 10.0 112.071 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.04 -43.11 66.37 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.084 1.354 . . . . 10.0 112.895 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.11 -46.38 67.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.791 0.837 . . . . 10.0 112.145 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.63 -36.73 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.71 1.204 . . . . 10.0 112.207 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.86 -46.17 79.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.387 0.994 . . . . 10.0 111.84 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -78.89 -45.29 20.92 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -170.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.88 -47.97 70.21 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 37.3 p -64.48 -44.24 74.26 Favored Pre-proline 0 N--CA 1.477 0.893 0 N-CA-C 115.999 1.852 . . . . 10.0 115.999 -171.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.58 -28.44 4.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 CA-C-N 123.083 2.137 . . . . 10.0 114.495 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 65.0 p -158.52 -42.71 0.06 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.397 1.628 . . . . 10.0 115.397 -169.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 44.1 mtt -82.76 43.94 0.88 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.685 1.13 . . . . 10.0 112.42 -175.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -65.81 63.67 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 129.386 3.074 . . . . 10.0 114.189 -170.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -153.51 175.86 12.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.808 1.643 . . . . 10.0 113.276 -172.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.79 81.81 0.45 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.834 1.654 . . . . 10.0 110.188 170.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -69.97 -9.61 63.41 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 117.469 1.748 . . . . 10.0 117.469 -169.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -137.61 -20.4 1.17 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.084 1.942 . . . . 10.0 113.83 -175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 1.8 t -62.48 144.67 95.41 Favored Pre-proline 0 CA--C 1.547 0.828 0 O-C-N 120.969 -1.082 . . . . 10.0 111.817 170.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.55 147.74 29.33 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.775 2.983 . . . . 10.0 114.821 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -132.81 -0.83 3.42 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.055 1.342 . . . . 10.0 113.644 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.807 2.043 . . . . 10.0 111.805 -179.167 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.26 -34.08 66.05 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.706 1.372 . . . . 10.0 114.706 -170.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -55.46 -41.95 73.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.931 0.892 . . . . 10.0 112.628 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -77.98 -30.51 50.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.834 0.853 . . . . 10.0 111.983 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 295' ' ' ILE . . . . . 0.554 ' HA ' ' CE2' ' B' ' 658' ' ' TYR . 16.5 mm -60.62 -51.11 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.431 0.692 . . . . 10.0 109.766 169.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -63.96 -37.69 88.34 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.177 1.391 . . . . 10.0 112.739 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.96 -52.82 64.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.963 1.305 . . . . 10.0 112.15 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.46 -34.76 79.04 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.613 0.642 . . . . 10.0 112.151 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.66 -43.22 97.36 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.267 -0.896 . . . . 10.0 112.363 171.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.46 -28.56 69.3 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.772 1.229 . . . . 10.0 112.812 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.96 -44.73 70.98 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.7 1.136 . . . . 10.0 112.054 173.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.88 -53.31 21.96 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.801 0.84 . . . . 10.0 111.728 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 19.4 ttp -64.32 -25.24 67.95 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -169.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.8 t -63.47 -19.78 65.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.016 1.727 . . . . 10.0 114.417 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 9.4 m -53.91 -33.4 56.54 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.449 -1.407 . . . . 10.0 114.117 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -61.32 -31.63 71.49 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.351 0.978 . . . . 10.0 113.124 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -77.78 -40.61 40.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.25 1.02 . . . . 10.0 111.497 172.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.38 -34.83 69.25 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.717 1.144 . . . . 10.0 112.331 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 1.9 mp -67.74 -22.27 65.24 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.283 1.833 . . . . 10.0 114.847 172.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -66.77 -37.49 84.7 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.135 0.974 . . . . 10.0 111.661 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 144.42 148.97 4.96 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.825 1.678 . . . . 10.0 112.908 170.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -64.74 -5.35 5.64 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.953 1.834 . . . . 10.0 115.953 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -122.27 9.64 9.83 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.755 1.622 . . . . 10.0 112.97 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -139.77 -12.72 1.12 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.082 1.512 . . . . 10.0 115.082 -172.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.465 2.306 . . . . 10.0 115.423 176.519 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.878 -0.489 . . . . 10.0 111.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.98 128.72 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.427 1.091 . . . . 10.0 110.967 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.3 148.48 51.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.567 1.547 . . . . 10.0 111.657 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -125.79 4.67 7.39 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.997 1.319 . . . . 10.0 113.762 -169.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 78.06 -43.92 2.29 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 126.322 1.915 . . . . 10.0 116.116 169.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -66.69 -13.74 61.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.359 1.615 . . . . 10.0 115.359 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -54.0 -29.31 42.76 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.898 1.679 . . . . 10.0 114.248 -169.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.02 -18.92 38.94 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.248 1.573 . . . . 10.0 115.248 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.8 -9.6 58.71 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.262 1.208 . . . . 10.0 114.262 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.01 152.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.236 1.414 . . . . 10.0 111.197 -174.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.4 t -150.38 161.75 41.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.811 1.645 . . . . 10.0 111.095 -177.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -59.94 -29.86 68.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.82 -34.97 78.98 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.273 0.942 . . . . 10.0 112.486 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.53 -54.95 15.61 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.105 0.962 . . . . 10.0 110.093 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.1 -37.29 79.54 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.909 1.077 . . . . 10.0 113.909 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 75.3 m -49.48 -46.4 48.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.935 0.894 . . . . 10.0 112.486 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.54 -35.72 29.96 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.618 0.767 . . . . 10.0 112.604 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.43 -47.55 85.21 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.778 1.172 . . . . 10.0 111.701 176.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.15 -46.16 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.664 1.12 . . . . 10.0 110.713 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.99 -52.29 51.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.277 0.631 . . . . 10.0 111.939 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -72.44 -32.09 66.0 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 10.0 113.258 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.401 ' HA ' HD11 ' B' ' 657' ' ' ILE . 0.8 OUTLIER -58.97 -52.88 63.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.527 1.531 . . . . 10.0 108.933 169.682 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.83 -47.29 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.693 1.597 . . . . 10.0 112.737 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.78 -42.46 84.16 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.991 0.917 . . . . 10.0 112.452 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.83 62.52 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.66 -43.35 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.861 0.864 . . . . 10.0 111.573 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -141.44 96.01 7.11 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.079 0.552 . . . . 10.0 111.431 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -62.98 92.55 0.14 Allowed 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 124.309 3.339 . . . . 10.0 109.736 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.7 p -56.68 148.9 44.36 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 125.41 1.484 . . . . 10.0 114.318 -171.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.75 -29.18 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.991 2.461 . . . . 10.0 113.22 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -157.59 162.36 27.41 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 126.193 1.797 . . . . 10.0 111.316 -174.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.32 -5.56 17.35 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.9 2.4 . . . . 10.0 115.436 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.05 -31.03 15.72 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.947 1.249 . . . . 10.0 111.352 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.61 64.9 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.292 0.951 . . . . 10.0 113.125 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 27.1 mt -53.08 -28.43 25.07 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.492 1.517 . . . . 10.0 114.092 169.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.91 1.64 24.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.077 1.751 . . . . 10.0 113.091 -176.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -60.42 148.82 36.03 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.02 0.827 . . . . 10.0 112.47 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 623' ' ' ARG . . . . . 0.525 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 0.0 OUTLIER -47.67 -43.4 26.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.173 1.789 . . . . 10.0 113.362 178.097 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -79.29 -29.32 42.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.461 1.504 . . . . 10.0 112.108 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -67.62 -36.71 81.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.445 0.566 . . . . 10.0 111.562 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.38 -34.78 78.47 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.064 -1.022 . . . . 10.0 113.032 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -66.57 -40.75 89.15 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.27 -0.894 . . . . 10.0 111.956 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.6 tt -62.03 -44.78 95.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.164 0.986 . . . . 10.0 111.658 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.8 t -54.89 -45.54 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.804 1.642 . . . . 10.0 112.242 170.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.36 86.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.164 -0.96 . . . . 10.0 112.819 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.582 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.71 -44.33 96.71 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.698 0.799 . . . . 10.0 111.407 170.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.44 97.77 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.602 -0.686 . . . . 10.0 112.26 173.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.23 -45.28 95.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.15 0.886 . . . . 10.0 112.713 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -47.73 84.61 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.858 1.263 . . . . 10.0 111.95 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.73 -36.61 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.551 -0.738 . . . . 10.0 112.321 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.02 -46.09 75.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.497 1.499 . . . . 10.0 112.169 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -67.1 -28.67 73.84 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.491 0.567 . . . . 10.0 114.324 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.18 -36.95 46.8 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.495 1.147 . . . . 10.0 111.801 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -68.67 -35.14 76.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.996 1.319 . . . . 10.0 111.237 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.82 -52.69 62.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.198 1.399 . . . . 10.0 111.958 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.06 -22.48 66.95 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.887 -1.133 . . . . 10.0 114.017 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.2 m -80.55 -4.68 54.9 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.515 1.302 . . . . 10.0 114.515 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -113.45 149.94 33.51 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.502 1.046 . . . . 10.0 113.453 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.57 -0.54 21.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.526 1.531 . . . . 10.0 113.357 175.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.5 p -151.68 160.13 43.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.216 1.406 . . . . 10.0 111.918 171.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.52 74.5 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.48 1.112 . . . . 10.0 112.755 172.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.22 -46.56 83.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.047 0.939 . . . . 10.0 111.917 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.48 -38.73 87.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.299 0.639 . . . . 10.0 112.219 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -57.4 -55.98 27.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 10.0 112.323 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -52.71 -45.79 67.05 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 170.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -62.14 -38.27 88.35 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.606 0.639 . . . . 10.0 112.213 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 55.1 mt -65.82 -44.09 86.63 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.046 0.839 . . . . 10.0 112.764 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 67.7 mt -58.01 -49.65 76.13 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.852 0.751 . . . . 10.0 110.958 171.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.17 67.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.627 1.171 . . . . 10.0 113.686 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.76 -48.35 69.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.95 -1.094 . . . . 10.0 111.629 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.57 -33.44 75.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.815 0.734 . . . . 10.0 112.327 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' B' ' 607' ' ' LEU . 2.2 mm -62.23 -46.78 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.761 1.224 . . . . 10.0 111.307 172.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 658' ' ' TYR . . . . . 0.554 ' CE2' ' HA ' ' A' ' 295' ' ' ILE . 1.5 t80 -66.56 -42.46 87.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.117 -0.944 . . . . 10.0 110.924 177.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -50.79 -55.77 15.25 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.952 1.251 . . . . 10.0 111.933 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.69 -48.16 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.952 0.901 . . . . 10.0 111.197 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.58 -53.78 46.39 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.62 0.645 . . . . 10.0 112.148 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.64 -34.94 75.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.713 2.405 . . . . 10.0 113.174 -177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.26 -64.1 0.98 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.426 0.69 . . . . 10.0 111.873 170.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.25 -33.88 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -169.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.91 -12.02 22.35 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -108.95 -56.98 2.21 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.895 1.278 . . . . 10.0 110.907 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.45 -12.69 23.38 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 -174.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -119.68 2.51 11.15 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.041 1.337 . . . . 10.0 113.593 175.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.38 -10.68 0.22 Allowed 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 117.579 2.437 . . . . 10.0 117.579 -171.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 22.8 t -52.78 -46.38 67.57 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.227 1.565 . . . . 10.0 115.227 -169.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -124.31 -35.48 2.78 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.418 1.487 . . . . 10.0 112.319 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 127.894 2.478 . . . . 10.0 110.718 -177.77 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.642 0.258 . . . . 10.0 111.146 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.87 -17.92 64.64 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.334 1.054 . . . . 10.0 113.441 172.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -74.16 56.66 0.63 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.064 1.745 . . . . 10.0 113.402 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -66.87 -9.36 52.65 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.316 1.436 . . . . 10.0 115.478 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -136.98 159.72 41.04 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.687 1.995 . . . . 10.0 109.822 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.7 mt -75.32 21.31 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 125.183 1.393 . . . . 10.0 112.747 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.3 tp -132.67 83.8 52.37 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 129.104 2.962 . . . . 10.0 106.694 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 12.5 Cg_exo -39.87 132.92 1.88 Allowed 'Trans proline' 0 C--N 1.35 0.65 1 C-N-CA 126.801 5.001 . . . . 10.0 114.492 177.529 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 49.1 p -52.05 -41.41 62.29 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.264 1.95 . . . . 10.0 116.264 -169.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.42 -34.03 76.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.443 -0.785 . . . . 10.0 112.811 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 2.0 mp -78.88 -41.13 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.7 0.8 . . . . 10.0 109.883 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 44.2 ttm -49.5 -54.22 19.08 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.537 1.135 . . . . 10.0 110.861 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.16 -39.24 66.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 10.0 113.556 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.66 -43.05 97.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.45 0.7 . . . . 10.0 112.1 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.68 -46.3 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.922 0.783 . . . . 10.0 111.598 174.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.27 -31.37 70.16 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.153 0.888 . . . . 10.0 112.927 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -78.62 -42.12 29.72 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.067 1.347 . . . . 10.0 112.744 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -79.98 -42.86 23.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.225 1.195 . . . . 10.0 114.225 -174.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 35.9 p -66.4 -29.1 2.65 Favored Pre-proline 0 N--CA 1.475 0.814 0 N-CA-C 117.553 2.427 . . . . 10.0 117.553 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -73.07 92.23 0.82 Allowed 'Trans proline' 0 C--N 1.355 0.901 0 CA-C-N 123.389 2.246 . . . . 10.0 112.558 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 14.7 m -151.39 147.97 27.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.243 1.817 . . . . 10.0 110.407 171.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -23.86 63.76 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.901 1.445 . . . . 10.0 114.901 -176.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -70.52 -20.93 62.79 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.072 1.349 . . . . 10.0 113.791 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -75.23 169.72 17.49 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.952 0.901 . . . . 10.0 112.106 173.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 4.3 pp -142.54 163.43 32.85 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.867 1.267 . . . . 10.0 112.479 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 163.38 155.47 8.18 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.765 1.174 . . . . 10.0 113.403 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.96 173.16 14.85 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.517 1.527 . . . . 10.0 111.712 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 9.7 m -154.44 148.72 19.26 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.882 1.273 . . . . 10.0 111.306 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -79.47 -9.78 14.81 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.916 3.077 . . . . 10.0 113.963 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -148.27 143.67 27.11 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.991 1.716 . . . . 10.0 110.219 -171.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.685 1.594 . . . . 10.0 112.686 -178.019 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.983 0.42 . . . . 10.0 110.751 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.29 -52.63 0.07 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 -171.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -66.39 -49.42 66.88 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.656 1.116 . . . . 10.0 111.077 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -21.59 63.41 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.499 1.296 . . . . 10.0 114.499 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 34.9 mm -69.55 -53.7 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.635 1.174 . . . . 10.0 109.768 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -66.67 -42.48 86.49 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.395 0.678 . . . . 10.0 111.448 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.25 -47.65 80.84 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.943 1.297 . . . . 10.0 113.031 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.88 -46.53 90.24 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.076 0.853 . . . . 10.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.14 -40.31 85.1 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 121.406 0.622 . . . . 10.0 110.881 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.22 -20.1 63.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.033 2.133 . . . . 10.0 115.283 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.96 -38.71 86.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.938 1.699 . . . . 10.0 112.377 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.42 -33.01 70.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.28 0.632 . . . . 10.0 112.175 169.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -71.8 -36.58 70.33 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 10.0 111.183 -176.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 18.3 t -53.49 -28.4 30.73 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.262 1.425 . . . . 10.0 112.689 172.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 305' ' ' THR . . . . . 0.445 HG23 ' CD2' ' B' ' 602' ' ' HIS . 38.9 m -55.34 -45.8 76.41 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.105 0.962 . . . . 10.0 112.724 172.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.11 -34.92 68.98 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.131 -0.981 . . . . 10.0 111.576 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -61.67 -41.97 98.28 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.404 -0.81 . . . . 10.0 112.176 173.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.2 -23.86 66.52 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.971 1.308 . . . . 10.0 114.103 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.95 -26.85 11.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.833 1.253 . . . . 10.0 113.709 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -148.22 1.63 0.64 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -170.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 79.43 174.47 46.09 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 122.259 0.922 . . . . 10.0 114.475 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.98 18.05 0.07 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.937 2.095 . . . . 10.0 115.345 -177.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.63 -14.17 28.55 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.441 1.645 . . . . 10.0 115.441 -171.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -132.7 14.36 4.41 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.744 1.618 . . . . 10.0 113.203 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.35 1.86 . . . . 10.0 113.336 -179.447 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 CA-C-O 119.541 -0.588 . . . . 10.0 111.923 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.78 147.0 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 125.421 1.488 . . . . 10.0 111.559 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -105.84 35.24 2.96 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.89 1.676 . . . . 10.0 114.028 -169.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.92 52.64 0.15 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.824 2.049 . . . . 10.0 113.573 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -77.24 -13.15 83.91 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.198 1.38 . . . . 10.0 114.439 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -60.12 -13.64 13.0 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.328 1.603 . . . . 10.0 115.328 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -58.39 -21.73 51.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.292 1.437 . . . . 10.0 112.915 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.79 -21.03 64.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 172.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -87.63 3.66 46.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.792 1.237 . . . . 10.0 113.478 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 40.6 t -112.19 150.43 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.567 1.547 . . . . 10.0 111.673 -169.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 70.4 p -135.09 158.09 45.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.048 1.739 . . . . 10.0 110.8 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.26 -32.73 72.55 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.269 -0.894 . . . . 10.0 112.102 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.29 -43.06 99.5 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.137 0.975 . . . . 10.0 112.13 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.48 -46.49 88.22 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.313 0.645 . . . . 10.0 111.467 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -57.55 -48.96 77.89 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.806 0.73 . . . . 10.0 111.353 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 64.6 m -58.4 -50.12 74.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.036 . . . . 10.0 112.683 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 602' ' ' HIS . . . . . 0.445 ' CD2' HG23 ' A' ' 305' ' ' THR . 6.6 t60 -73.63 -36.71 65.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.876 0.47 . . . . 10.0 111.992 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.7 -40.54 95.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.657 1.117 . . . . 10.0 111.971 172.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.15 -44.23 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.585 1.084 . . . . 10.0 111.035 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.17 -46.69 82.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.132 0.878 . . . . 10.0 112.159 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -60.25 -43.46 96.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.355 1.062 . . . . 10.0 111.842 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -56.39 19.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.559 1.144 . . . . 10.0 110.543 170.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -47.28 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.015 1.326 . . . . 10.0 112.195 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -64.22 -36.92 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.584 0.629 . . . . 10.0 112.641 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.86 66.13 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 27.4 mt -67.7 -54.3 24.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 121.714 -0.616 . . . . 10.0 109.917 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 612' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 1.0 OUTLIER -141.14 102.86 6.16 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.105 0.962 . . . . 10.0 110.048 173.711 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.52 101.54 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.052 2.501 . . . . 10.0 109.4 169.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.2 p -56.05 147.6 44.07 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.453 1.501 . . . . 10.0 114.321 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.34 -33.61 23.26 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 112.893 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -150.84 159.69 33.58 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.715 2.406 . . . . 10.0 109.116 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.16 -15.86 39.63 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.62 2.214 . . . . 10.0 113.328 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.06 -33.29 74.29 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.325 -0.86 . . . . 10.0 112.066 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.07 -26.53 66.78 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.396 -0.815 . . . . 10.0 113.033 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.96 -22.6 49.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.789 1.236 . . . . 10.0 113.377 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 3.42 26.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.322 1.849 . . . . 10.0 112.931 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.96 140.12 58.35 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.362 -0.836 . . . . 10.0 111.813 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -3.04 0.11 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.479 2.029 . . . . 10.0 116.479 177.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -116.96 -28.04 6.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.171 1.789 . . . . 10.0 112.906 174.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 15.6 tpt -62.17 -28.34 69.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.396 0.998 . . . . 10.0 112.091 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -55.54 -27.46 49.06 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -72.52 -40.07 67.07 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.388 0.994 . . . . 10.0 111.755 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.49 -46.55 85.63 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.271 1.428 . . . . 10.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.93 -45.23 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.798 1.639 . . . . 10.0 112.1 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.09 94.66 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.414 1.006 . . . . 10.0 112.255 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.33 -45.9 90.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.522 1.129 . . . . 10.0 111.849 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.79 98.14 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 10.0 111.945 174.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.16 -31.6 72.86 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.866 0.867 . . . . 10.0 113.168 173.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.8 -46.48 58.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.558 1.143 . . . . 10.0 111.923 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.21 -50.12 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.276 0.63 . . . . 10.0 109.981 171.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -47.32 -56.25 7.2 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.965 1.306 . . . . 10.0 112.426 173.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.8 -35.51 91.39 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 123.304 0.478 . . . . 10.0 113.872 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.11 -38.77 51.55 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.302 1.051 . . . . 10.0 111.845 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.4 mmt -68.43 -40.89 81.0 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.106 0.962 . . . . 10.0 111.011 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.28 -45.69 90.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.325 1.45 . . . . 10.0 112.924 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.2 -30.38 70.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.816 0.846 . . . . 10.0 112.679 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -78.58 -34.05 47.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.963 1.097 . . . . 10.0 113.963 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.91 131.6 41.62 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -77.0 -18.8 57.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.678 1.591 . . . . 10.0 113.786 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.7 p -145.97 162.98 36.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.297 1.439 . . . . 10.0 112.9 176.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -57.24 -44.52 83.91 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.796 1.239 . . . . 10.0 112.623 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.13 -44.05 95.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.418 1.087 . . . . 10.0 112.245 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.95 -38.14 85.59 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.63 -0.669 . . . . 10.0 112.316 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.82 -55.29 36.96 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.011 1.324 . . . . 10.0 111.918 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -50.0 -47.73 52.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.767 0.827 . . . . 10.0 112.211 169.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -65.3 -41.58 93.96 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.325 -0.859 . . . . 10.0 112.404 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.68 -38.94 92.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.609 1.164 . . . . 10.0 112.442 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.24 -48.81 78.29 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.845 0.748 . . . . 10.0 111.311 169.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.25 -28.77 69.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.43 -40.57 93.49 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.338 -0.851 . . . . 10.0 112.619 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -37.53 72.33 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.622 1.101 . . . . 10.0 111.985 174.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.2 mt -54.74 -54.22 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 118.738 0.699 . . . . 10.0 109.472 169.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -53.23 -56.09 19.26 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.969 0.908 . . . . 10.0 111.664 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -52.02 -58.39 6.67 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.032 0.933 . . . . 10.0 112.731 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.222 0.464 . . . . 10.0 110.127 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -69.02 -58.15 4.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.861 -0.524 . . . . 10.0 112.335 -175.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -70.07 -23.89 63.15 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.001 0.819 . . . . 10.0 113.176 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -68.64 -55.78 10.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.582 0.753 . . . . 10.0 111.727 170.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.43 -37.29 82.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.163 0.892 . . . . 10.0 112.692 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.48 1.97 1.04 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.089 1.514 . . . . 10.0 115.089 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -124.01 -42.7 2.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.451 1.5 . . . . 10.0 111.754 170.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -65.86 -9.96 33.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.029 1.732 . . . . 10.0 114.801 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -113.38 6.85 17.42 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.774 1.629 . . . . 10.0 113.94 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -128.85 21.95 5.85 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.788 1.235 . . . . 10.0 114.207 170.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 36.3 t -142.95 123.1 13.69 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.206 1.402 . . . . 10.0 110.363 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 -75.65 -24.01 56.35 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.064 1.346 . . . . 10.0 113.575 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.783 2.033 . . . . 10.0 112.908 -174.881 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 119.126 -0.464 . . . . 10.0 110.634 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -147.5 5.91 0.82 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.321 1.448 . . . . 10.0 113.545 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -150.4 172.11 15.95 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.623 1.569 . . . . 10.0 112.147 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 177.07 -19.66 0.04 OUTLIER Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.352 0.977 . . . . 10.0 115.081 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -64.92 18.83 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 128.535 2.734 . . . . 10.0 116.38 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 13.6 mm -58.74 -27.13 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 126.09 1.756 . . . . 10.0 113.73 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.93 90.42 48.59 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.183 1.793 . . . . 10.0 109.528 -169.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.25 139.42 27.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 125.178 3.919 . . . . 10.0 113.595 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.3 m -57.73 -33.68 68.7 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.565 1.32 . . . . 10.0 114.565 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.82 -38.26 73.24 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.53 -0.731 . . . . 10.0 112.811 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.96 -43.38 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.495 0.718 . . . . 10.0 109.378 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 53.7 ttm -50.94 -53.51 32.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.067 1.347 . . . . 10.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.42 -37.73 75.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -175.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.67 -38.43 90.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.197 0.599 . . . . 10.0 112.122 173.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.19 -49.09 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.941 0.791 . . . . 10.0 110.896 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.91 -32.4 72.79 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -71.63 -41.43 68.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.772 1.229 . . . . 10.0 113.243 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 856' ' ' ASN . . . . . 0.431 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 32.7 m-80 -80.15 -42.79 22.79 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.687 1.366 . . . . 10.0 114.687 -173.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.8 p -72.23 -33.0 2.15 Favored Pre-proline 0 N--CA 1.476 0.828 0 N-CA-C 117.704 2.483 . . . . 10.0 117.704 -169.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -88.69 -30.52 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.931 0 CA-C-N 123.191 2.175 . . . . 10.0 114.617 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 35.4 p -161.18 39.46 0.15 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.434 1.094 . . . . 10.0 112.755 -168.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 22.3 ptp 0.31 72.2 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 129.311 3.044 . . . . 10.0 116.563 -169.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -70.4 93.41 0.87 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.423 1.889 . . . . 10.0 111.423 -173.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -58.93 147.68 33.24 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.282 1.033 . . . . 10.0 113.103 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 67.6 tp -153.8 139.45 17.9 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.552 1.541 . . . . 10.0 110.075 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -81.27 -34.89 25.01 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.917 0.77 . . . . 10.0 114.27 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.4 162.93 26.07 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.004 1.721 . . . . 10.0 113.875 -175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 63.5 m -121.83 143.68 39.04 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.822 1.649 . . . . 10.0 111.383 170.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -54.33 -36.74 87.92 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.348 2.699 . . . . 10.0 113.95 170.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -154.27 149.99 27.55 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.283 1.833 . . . . 10.0 109.962 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 63.4 p . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.802 1.641 . . . . 10.0 113.611 -179.335 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.318 -0.848 . . . . 10.0 113.285 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -38.84 -45.4 1.15 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 116.68 2.104 . . . . 10.0 116.68 -169.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.12 -49.5 73.7 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.537 -0.727 . . . . 10.0 112.136 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -66.99 -30.94 71.19 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.399 1.079 . . . . 10.0 112.559 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 295' ' ' ILE . . . . . 0.485 HD12 ' CE1' ' B' ' 658' ' ' TYR . 19.0 mm -58.93 -54.12 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.361 0.982 . . . . 10.0 109.484 172.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.59 -42.56 99.63 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.164 0.986 . . . . 10.0 112.619 175.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.12 -53.8 54.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.476 1.511 . . . . 10.0 112.561 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.51 -30.67 69.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.226 0.611 . . . . 10.0 112.254 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -64.46 -44.0 92.47 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.669 -0.644 . . . . 10.0 112.063 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.3 tp -67.87 -24.5 65.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.759 1.624 . . . . 10.0 113.685 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 67.4 mt -51.73 -47.82 63.87 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.16 0.891 . . . . 10.0 112.595 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.21 -46.9 86.84 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.356 1.062 . . . . 10.0 111.663 177.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 57.4 mtt -59.53 -33.2 71.09 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.564 1.145 . . . . 10.0 113.099 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.1 t -61.79 -24.81 67.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.099 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 29.3 m -51.5 -34.02 34.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.839 1.656 . . . . 10.0 114.636 -174.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.56 -36.01 75.35 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -74.67 -42.52 58.3 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.857 0.863 . . . . 10.0 111.735 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.19 -33.65 76.51 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.732 0.813 . . . . 10.0 112.801 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 6.5 mp -71.36 -20.73 62.12 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.449 1.099 . . . . 10.0 113.763 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.88 -37.39 20.67 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.872 0.869 . . . . 10.0 111.843 169.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 72.06 -29.64 0.66 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.363 1.935 . . . . 10.0 116.523 171.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -134.41 34.71 3.24 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.3 2.24 . . . . 10.0 110.406 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.3 124.09 12.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.455 1.902 . . . . 10.0 112.612 -178.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -150.68 23.84 0.78 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.185 1.394 . . . . 10.0 113.029 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.538 1.935 . . . . 10.0 111.374 -171.269 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 112.01 -0.436 . . . . 10.0 112.01 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 65.1 t -136.57 120.17 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 125.284 1.434 . . . . 10.0 109.851 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -92.63 -21.73 19.87 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.685 1.735 . . . . 10.0 115.685 -171.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -141.25 -43.52 0.37 Allowed 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.397 1.479 . . . . 10.0 113.798 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 86.15 8.59 78.28 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.549 1.379 . . . . 10.0 116.549 171.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -141.55 -14.91 0.84 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.626 1.713 . . . . 10.0 115.626 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -68.37 -17.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.634 0.774 . . . . 10.0 112.734 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.72 -13.29 3.85 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.935 2.094 . . . . 10.0 116.073 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -127.37 5.56 6.31 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.882 1.438 . . . . 10.0 114.882 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.66 140.74 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.114 -0.991 . . . . 10.0 109.754 170.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 87.4 m -135.98 146.95 47.77 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.113 1.365 . . . . 10.0 110.408 -172.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -57.17 -34.65 68.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.334 1.053 . . . . 10.0 113.723 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.7 -42.4 99.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.577 0.751 . . . . 10.0 112.237 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.88 -50.09 70.16 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.774 0.829 . . . . 10.0 110.505 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.89 -49.43 65.9 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.073 1.349 . . . . 10.0 112.806 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 62.2 m -61.49 -51.2 69.65 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.728 1.211 . . . . 10.0 112.141 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -67.19 -41.56 85.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 119.058 -0.496 . . . . 10.0 111.586 -177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.75 -43.17 98.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.275 0.943 . . . . 10.0 112.659 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.72 -49.18 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.709 1.14 . . . . 10.0 111.197 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -58.49 -41.78 86.1 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.569 0.622 . . . . 10.0 112.161 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -68.41 -34.83 76.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.136 1.374 . . . . 10.0 112.885 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' B' ' 657' ' ' ILE . 2.2 tp -60.22 -54.02 50.72 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.066 1.346 . . . . 10.0 108.789 169.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.55 -47.03 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.345 1.858 . . . . 10.0 113.022 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.87 -44.92 91.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.492 1.117 . . . . 10.0 112.601 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.24 77.05 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.3 -47.32 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.035 0.934 . . . . 10.0 111.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 612' ' ' PHE . . . . . 0.413 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 0.5 OUTLIER -133.03 99.27 15.1 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.237 0.615 . . . . 10.0 110.501 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.06 99.04 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 124.391 3.394 . . . . 10.0 110.22 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 81.8 p -47.08 151.39 1.19 Allowed Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 128.709 2.804 . . . . 10.0 116.792 -169.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.413 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 94.3 Cg_endo -79.34 -38.44 0.41 Allowed 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.558 2.839 . . . . 10.0 111.183 170.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -157.8 158.49 30.35 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 129.288 3.035 . . . . 10.0 108.377 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -70.48 -19.82 32.23 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.825 2.35 . . . . 10.0 112.461 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.23 66.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.89 1.276 . . . . 10.0 113.761 170.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.42 -39.37 81.62 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.33 -0.856 . . . . 10.0 112.369 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 69.7 mt -60.93 -28.33 68.86 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.451 1.501 . . . . 10.0 114.112 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -97.97 7.59 46.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.659 1.583 . . . . 10.0 113.613 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -116.87 159.12 22.86 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.159 1.383 . . . . 10.0 112.309 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -32.81 55.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.451 1.501 . . . . 10.0 112.949 -174.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -57.85 -22.96 50.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.826 2.05 . . . . 10.0 114.985 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 68.2 mtp -119.25 -17.08 8.96 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 117.989 -1.005 . . . . 10.0 112.571 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -54.11 -37.14 63.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.036 1.744 . . . . 10.0 112.395 169.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.51 -49.28 77.96 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.018 1.327 . . . . 10.0 111.85 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.87 -42.74 85.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.163 1.385 . . . . 10.0 112.379 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.89 -45.24 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.075 2.15 . . . . 10.0 112.173 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.58 89.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.213 1.005 . . . . 10.0 112.332 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 631' ' ' TYR . . . . . 0.494 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -61.69 -42.56 99.1 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.361 1.064 . . . . 10.0 112.214 170.444 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.24 98.14 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.414 -0.804 . . . . 10.0 111.573 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.01 -45.29 93.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.2 0.909 . . . . 10.0 112.443 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.48 -46.78 87.83 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.568 1.147 . . . . 10.0 112.345 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.76 -42.07 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.402 0.681 . . . . 10.0 111.81 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -53.15 -42.53 66.2 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.334 0.97 . . . . 10.0 111.595 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.07 -29.94 76.35 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.462 1.029 . . . . 10.0 114.545 176.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.66 -40.53 28.9 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.102 1.451 . . . . 10.0 111.529 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -62.11 -39.7 93.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.564 0.746 . . . . 10.0 111.113 172.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.96 -49.06 74.01 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.541 1.936 . . . . 10.0 113.621 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -61.5 -22.38 65.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.291 1.036 . . . . 10.0 113.56 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.5 m -107.71 -20.23 13.28 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.602 1.704 . . . . 10.0 115.602 -170.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.8 133.72 36.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.483 1.038 . . . . 10.0 113.297 -174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.09 3.42 51.83 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 174.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.2 p -152.2 158.65 43.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.885 1.274 . . . . 10.0 111.053 169.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -64.03 -37.89 89.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.242 0.617 . . . . 10.0 112.25 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.97 -42.86 99.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 10.0 112.203 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.14 -39.89 86.66 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.563 -0.711 . . . . 10.0 112.127 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.46 -52.81 63.87 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.176 0.99 . . . . 10.0 111.756 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -53.81 -47.85 70.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 170.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.54 -45.1 89.58 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.039 0.836 . . . . 10.0 111.716 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.75 -43.86 97.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.239 1.015 . . . . 10.0 112.782 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.23 -56.7 18.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.087 0.858 . . . . 10.0 111.276 170.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.99 -26.84 62.4 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 -169.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.77 -44.98 65.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.849 -1.157 . . . . 10.0 111.381 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -38.47 75.5 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.669 0.668 . . . . 10.0 110.926 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 657' ' ' ILE . . . . . 0.518 HD11 ' HG ' ' B' ' 607' ' ' LEU . 11.2 mm -63.34 -52.59 56.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.927 1.291 . . . . 10.0 111.759 173.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 658' ' ' TYR . . . . . 0.485 ' CE1' HD12 ' A' ' 295' ' ' ILE . 3.2 t80 -64.57 -36.87 85.61 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.079 1.309 . . . . 10.0 111.667 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -50.38 70.12 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.775 0.716 . . . . 10.0 112.172 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.47 -40.61 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.443 0.565 . . . . 10.0 110.713 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.14 -51.73 62.47 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -74.39 -23.87 59.04 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.1 -52.24 60.18 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.68 0.673 . . . . 10.0 110.352 169.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.53 -48.08 83.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.993 0.917 . . . . 10.0 111.772 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -57.76 -18.45 21.5 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.32 -60.24 1.59 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.292 -0.88 . . . . 10.0 112.009 171.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -62.7 -22.28 66.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.652 0.982 . . . . 10.0 113.652 -171.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -97.93 -6.86 31.32 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.224 1.409 . . . . 10.0 113.109 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -114.27 -34.65 5.24 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.165 1.386 . . . . 10.0 113.252 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 29.3 m -74.13 49.74 0.36 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.458 1.903 . . . . 10.0 112.786 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -133.68 17.53 3.92 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.504 2.322 . . . . 10.0 111.4 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.776 2.031 . . . . 10.0 112.942 -179.176 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 119.451 -0.309 . . . . 10.0 111.807 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.3 -22.76 66.3 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -146.11 172.89 12.75 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.723 2.009 . . . . 10.0 110.8 169.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -169.03 41.49 0.22 Allowed Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.737 1.161 . . . . 10.0 113.308 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -141.67 159.46 42.18 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.856 1.663 . . . . 10.0 111.324 -172.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 26.1 mm -60.91 -22.85 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.947 0.899 . . . . 10.0 112.805 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 60.4 tp -125.35 88.3 54.37 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.59 1.556 . . . . 10.0 108.397 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 846' ' ' PRO . . . . . 0.494 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 13.8 Cg_exo -41.89 134.34 3.93 Favored 'Trans proline' 0 C--N 1.352 0.712 1 C-N-CA 126.655 4.903 . . . . 10.0 114.374 174.075 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 59.1 p -55.51 -38.21 68.9 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.441 1.645 . . . . 10.0 115.441 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -44.39 94.04 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.383 1.073 . . . . 10.0 112.641 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.08 -35.69 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.46 1.104 . . . . 10.0 111.44 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 57.8 ttp -53.45 -54.23 39.9 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.016 0.926 . . . . 10.0 110.512 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.52 -41.59 66.53 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.333 1.053 . . . . 10.0 112.945 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -70.13 -41.18 74.27 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.83 -42.99 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.066 -1.022 . . . . 10.0 111.257 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.44 -28.74 69.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.061 0.846 . . . . 10.0 112.633 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -74.71 -46.78 35.4 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.163 1.385 . . . . 10.0 112.436 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -80.08 -42.53 23.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 82.7 p -80.1 -11.87 0.18 Allowed Pre-proline 0 N--CA 1.482 1.146 0 N-CA-C 119.043 2.979 . . . . 10.0 119.043 -170.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -78.68 10.03 3.0 Favored 'Trans proline' 0 C--N 1.359 1.098 0 CA-C-N 124.534 2.655 . . . . 10.0 114.347 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 11.7 t -60.6 171.13 1.2 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.365 1.066 . . . . 10.0 112.108 169.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 47.2 ttm -55.21 -21.84 15.43 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.854 1.262 . . . . 10.0 114.183 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -54.71 -24.25 21.22 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.086 1.143 . . . . 10.0 114.086 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -78.02 -12.86 60.02 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.48 -8.41 0.23 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 117.917 2.562 . . . . 10.0 117.917 -169.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -175.87 20.01 0.05 OUTLIER Glycine 0 CA--C 1.538 1.475 0 N-CA-C 117.462 1.745 . . . . 10.0 117.462 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -142.62 165.99 25.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.177 1.391 . . . . 10.0 110.675 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 66.2 m -134.51 155.15 79.9 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 125.722 1.609 . . . . 10.0 111.837 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.15 -5.35 16.18 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.564 2.842 . . . . 10.0 114.412 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.74 160.15 42.59 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.665 1.586 . . . . 10.0 112.152 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.254 1.328 0 C-N-CA 126.335 1.854 . . . . 10.0 114.423 -175.404 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 111.609 0.225 . . . . 10.0 111.609 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.45 -52.5 64.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.663 1.185 . . . . 10.0 112.135 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 8.3 tt -58.98 -46.9 86.98 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.106 0.962 . . . . 10.0 112.323 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.12 -41.75 99.4 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.455 0.702 . . . . 10.0 111.715 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 58.6 tp -71.01 -39.0 72.65 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.889 1.276 . . . . 10.0 113.232 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.69 -40.74 60.63 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.132 1.373 . . . . 10.0 113.679 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.81 -56.5 4.62 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.322 0.649 . . . . 10.0 111.298 174.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.79 -20.17 66.23 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 95.9 p -70.71 -20.38 62.66 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.096 1.147 . . . . 10.0 114.096 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.6 m -58.32 -41.93 85.64 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.789 1.177 . . . . 10.0 113.249 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.547 0.856 0 O-C-N 121.045 -1.034 . . . . 10.0 112.977 177.033 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.618 -0.593 . . . . 10.0 111.618 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -124.46 -12.34 7.27 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.373 1.469 . . . . 10.0 114.279 -171.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -61.5 -34.16 75.02 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.121 1.369 . . . . 10.0 111.721 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.12 -18.51 61.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.153 1.781 . . . . 10.0 115.102 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -83.65 -19.78 34.78 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.267 0.939 . . . . 10.0 113.369 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 18.0 t -77.08 155.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 10.0 110.647 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 48.0 p -128.81 158.11 39.61 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.994 1.317 . . . . 10.0 110.834 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.04 -38.19 82.01 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.752 -0.592 . . . . 10.0 111.546 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.73 -43.8 97.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.851 0.86 . . . . 10.0 112.149 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.28 -48.72 78.63 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 122.956 0.502 . . . . 10.0 110.408 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.14 -51.66 61.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.54 1.136 . . . . 10.0 112.56 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 72.2 m -58.69 -53.33 59.63 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.248 1.019 . . . . 10.0 112.463 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -69.6 -34.76 74.57 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.853 -0.594 . . . . 10.0 112.403 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.79 -41.76 87.08 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.443 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.85 -47.03 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 120.385 1.448 . . . . 10.0 110.72 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -51.47 66.32 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.895 0.878 . . . . 10.0 112.047 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -71.38 -25.29 62.3 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.741 0.816 . . . . 10.0 112.364 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.459 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.3 tp -59.5 -53.78 54.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.036 0.934 . . . . 10.0 108.503 168.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 57.7 t -54.97 -44.55 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.572 1.149 . . . . 10.0 112.723 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -57.65 -32.65 67.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.773 1.027 . . . . 10.0 113.773 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -96.47 -27.81 14.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.085 0.772 . . . . 10.0 113.085 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.83 -47.27 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.325 0.65 . . . . 10.0 110.302 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -146.98 102.19 3.86 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 123.473 0.709 . . . . 10.0 109.923 169.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.9 -7.03 3.01 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 124.937 3.758 . . . . 10.0 117.168 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 82.4 p 58.19 151.99 0.08 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 129.446 3.099 . . . . 10.0 116.498 -170.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.74 -34.89 8.36 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.02 2.48 . . . . 10.0 112.491 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -155.52 158.29 31.82 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 128.151 2.581 . . . . 10.0 109.058 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -68.78 -19.93 40.43 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.594 2.196 . . . . 10.0 113.579 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.53 74.17 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.342 -0.848 . . . . 10.0 113.036 169.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.7 64.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.222 -0.924 . . . . 10.0 113.251 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.25 -26.85 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.102 0.961 . . . . 10.0 112.541 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -94.89 -17.21 22.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.295 1.438 . . . . 10.0 113.406 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -64.21 143.8 57.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.201 1.0 . . . . 10.0 112.865 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -27.6 44.09 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.664 1.727 . . . . 10.0 115.664 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -71.08 -27.37 63.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.524 1.056 . . . . 10.0 112.715 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -64.97 -24.31 67.48 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.381 0.672 . . . . 10.0 112.502 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.657 -1.277 . . . . 10.0 113.338 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.5 -43.92 75.82 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.498 -0.751 . . . . 10.0 111.375 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -47.55 85.54 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.884 1.674 . . . . 10.0 110.961 174.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -59.49 -47.04 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.461 1.904 . . . . 10.0 112.527 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.66 91.93 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.151 -0.968 . . . . 10.0 112.14 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.3 -47.52 83.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.226 1.01 . . . . 10.0 111.732 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.56 95.44 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.543 -0.723 . . . . 10.0 112.452 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.01 -44.76 96.94 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.082 0.855 . . . . 10.0 112.424 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.77 -45.37 90.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.284 1.034 . . . . 10.0 112.23 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.8 -49.2 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.168 0.987 . . . . 10.0 110.665 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -55.11 -46.26 75.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.26 0.937 . . . . 10.0 112.113 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.65 -35.54 91.22 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.71 0.672 . . . . 10.0 114.092 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.86 -37.32 67.42 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.473 1.137 . . . . 10.0 111.849 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 17.4 mmt -72.12 -35.22 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.691 1.196 . . . . 10.0 111.421 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.79 -50.98 70.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.372 1.469 . . . . 10.0 111.67 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.89 -25.5 67.2 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.412 -0.805 . . . . 10.0 113.015 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -80.08 2.69 22.97 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.99 54.28 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -7.91 57.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.818 1.247 . . . . 10.0 113.612 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 64.4 p -147.16 161.19 41.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.723 1.609 . . . . 10.0 112.209 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 27.1 ttp-105 -62.32 -38.17 88.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.987 0.915 . . . . 10.0 112.529 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.41 -44.81 95.56 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 10.0 112.355 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.43 -38.4 87.34 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.573 -0.704 . . . . 10.0 112.136 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -58.0 -55.23 37.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.428 1.091 . . . . 10.0 111.829 173.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -53.2 -45.23 68.49 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.734 1.013 . . . . 10.0 113.734 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -59.15 -45.4 91.07 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.133 0.573 . . . . 10.0 111.825 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.91 -42.96 89.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.823 0.849 . . . . 10.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 64.4 mt -55.54 -55.86 27.02 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.173 0.897 . . . . 10.0 110.801 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.73 -32.57 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.968 0.907 . . . . 10.0 113.296 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.72 -43.91 78.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.005 1.275 . . . . 10.0 112.305 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -37.78 82.17 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.261 -0.899 . . . . 10.0 111.691 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' B' ' 607' ' ' LEU . 5.0 mm -59.49 -46.84 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.661 1.185 . . . . 10.0 112.044 170.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.26 -51.11 69.34 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.891 1.276 . . . . 10.0 111.154 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -54.58 -59.0 5.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.585 0.754 . . . . 10.0 111.815 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.66 -45.91 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.239 0.615 . . . . 10.0 111.142 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -68.58 -57.58 5.53 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -13.95 58.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.06 1.504 . . . . 10.0 115.06 -169.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -72.22 -55.65 6.86 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.06 0.846 . . . . 10.0 109.74 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.99 -34.55 78.25 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.695 -0.628 . . . . 10.0 112.521 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.99 -19.5 44.06 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.397 1.258 . . . . 10.0 114.397 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -116.0 -28.48 6.62 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.655 -1.278 . . . . 10.0 113.958 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.64 -24.73 58.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.266 -0.896 . . . . 10.0 113.319 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 114.944 1.461 . . . . 10.0 114.944 -171.574 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 63.9 tp -125.45 89.27 52.81 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.249 1.82 . . . . 10.0 109.585 -169.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.2 142.62 20.97 Favored 'Trans proline' 0 C--N 1.353 0.803 1 C-N-CA 125.953 4.436 . . . . 10.0 114.094 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 51.8 p -51.99 -40.96 61.77 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.559 1.689 . . . . 10.0 115.559 -170.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.49 -42.8 95.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.727 0.694 . . . . 10.0 112.659 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.6 mp -76.18 -38.79 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.593 0.757 . . . . 10.0 110.284 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 19.6 ttt -51.97 -56.35 14.77 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.509 1.124 . . . . 10.0 110.961 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -41.01 60.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.558 1.143 . . . . 10.0 113.543 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.06 -44.62 91.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.796 0.838 . . . . 10.0 112.628 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.48 -38.9 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.986 0.812 . . . . 10.0 111.45 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -39.01 90.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.127 -0.983 . . . . 10.0 112.598 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.46 -43.0 77.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.228 1.011 . . . . 10.0 112.586 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.2 -38.41 31.26 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.194 1.553 . . . . 10.0 115.194 -171.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 118.195 2.665 . . . . 10.0 118.195 -169.773 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 48.0 tptt . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.84 -49.44 76.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.55 1.14 . . . . 10.0 112.592 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.88 -42.46 99.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.775 1.23 . . . . 10.0 111.724 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.22 -43.84 90.19 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.91 0.884 . . . . 10.0 111.869 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 68.7 tp -72.15 -26.72 62.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.102 1.761 . . . . 10.0 113.853 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.85 -42.82 48.33 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.492 1.117 . . . . 10.0 112.929 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.98 -54.29 28.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.293 1.037 . . . . 10.0 111.798 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 52.9 mtt -61.23 -29.48 69.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.751 1.22 . . . . 10.0 113.7 -171.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.5 t -65.26 -19.98 66.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.241 1.416 . . . . 10.0 114.293 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.3 m -56.71 -41.6 77.7 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.185 0.994 . . . . 10.0 113.157 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 113.634 0.975 . . . . 10.0 113.634 178.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.363 0 N-CA-C 115.815 1.086 . . . . 10.0 115.815 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -139.86 -9.34 1.19 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -66.37 -17.39 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.152 -0.968 . . . . 10.0 113.285 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.45 -20.25 29.24 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -107.59 -4.59 18.18 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.4 t -74.39 149.09 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.701 1.2 . . . . 10.0 110.657 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 14.8 t -143.3 156.5 44.73 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.029 1.332 . . . . 10.0 111.017 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -58.84 -40.26 83.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.678 0.791 . . . . 10.0 112.484 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.43 -37.23 74.97 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.654 0.782 . . . . 10.0 113.1 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.31 -55.66 19.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.348 0.659 . . . . 10.0 110.395 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -53.71 -45.77 70.53 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.133 0.973 . . . . 10.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.7 m -57.21 -53.67 55.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.726 1.21 . . . . 10.0 112.846 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.9 -39.65 87.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.009 -0.432 . . . . 10.0 112.156 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.4 -45.1 94.67 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.69 0.677 . . . . 10.0 111.753 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 44.5 t -57.12 -49.51 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 118.808 0.731 . . . . 10.0 111.151 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -40.55 82.59 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.163 0.892 . . . . 10.0 112.662 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -75.33 -39.18 59.72 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.019 0.928 . . . . 10.0 112.513 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -45.57 89.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 10.0 110.689 169.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.93 -50.44 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.281 1.432 . . . . 10.0 112.963 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.31 -38.74 92.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.353 0.979 . . . . 10.0 112.903 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.19 94.66 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 122.149 -0.344 . . . . 10.0 111.926 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.79 -46.47 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.108 0.963 . . . . 10.0 111.839 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -147.17 112.02 4.08 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.518 0.727 . . . . 10.0 110.311 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -59.41 -6.06 3.76 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.314 3.343 . . . . 10.0 116.868 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.67 151.42 0.14 Allowed Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 127.89 2.476 . . . . 10.0 113.299 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -85.01 -37.39 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.245 2.63 . . . . 10.0 112.635 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -157.74 154.96 26.04 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.919 2.887 . . . . 10.0 108.841 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.72 -17.89 42.3 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.771 2.314 . . . . 10.0 113.568 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.16 -27.96 69.07 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.37 95.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.81 0.844 . . . . 10.0 111.712 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.1 -20.37 17.03 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.557 1.943 . . . . 10.0 114.438 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -118.46 19.63 13.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 10.0 113.535 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -132.37 163.78 27.94 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.003 1.321 . . . . 10.0 112.782 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . 0.428 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 8.4 mpt_? -53.02 -36.01 60.06 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.279 1.832 . . . . 10.0 112.927 -171.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -53.13 -42.56 66.18 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.591 1.556 . . . . 10.0 113.302 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.8 tpt -94.17 -26.85 16.5 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.283 0.633 . . . . 10.0 112.262 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -53.45 -36.24 61.38 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.346 0.976 . . . . 10.0 112.421 169.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.76 -44.37 96.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.413 -0.805 . . . . 10.0 112.641 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.24 -48.55 75.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.17 1.388 . . . . 10.0 110.888 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.35 -43.7 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 126.288 1.835 . . . . 10.0 112.161 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.54 85.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.492 1.117 . . . . 10.0 112.084 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.72 -46.57 81.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.216 1.006 . . . . 10.0 111.895 170.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.7 76.49 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.433 -0.794 . . . . 10.0 111.408 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.77 -46.36 90.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.603 1.092 . . . . 10.0 113.331 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.61 -47.68 81.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.204 1.402 . . . . 10.0 111.675 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.6 t -79.79 -35.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.772 -0.632 . . . . 10.0 111.79 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.29 -40.71 71.39 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.416 1.462 . . . . 10.0 111.414 172.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.26 -34.23 88.94 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.161 0.886 . . . . 10.0 114.212 171.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.28 -39.33 74.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.83 1.315 . . . . 10.0 111.692 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.3 mmt -66.59 -43.42 84.95 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.542 1.137 . . . . 10.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -59.58 -50.11 75.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.498 1.519 . . . . 10.0 112.866 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.02 -24.76 66.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.245 -0.909 . . . . 10.0 113.126 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.2 m -82.28 -34.34 28.75 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.967 1.099 . . . . 10.0 113.967 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.91 122.37 19.84 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.203 1.186 . . . . 10.0 114.203 -170.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -17.79 64.29 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.646 0.98 . . . . 10.0 113.646 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 86.1 p -149.04 163.39 37.66 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.256 1.422 . . . . 10.0 113.008 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -53.39 -46.71 69.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.89 1.676 . . . . 10.0 112.717 173.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.8 -32.02 67.18 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.11 -39.59 78.84 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.365 0.984 . . . . 10.0 111.719 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.84 -54.68 44.14 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.752 0.821 . . . . 10.0 111.478 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.61 -44.68 77.25 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 114.008 1.114 . . . . 10.0 114.008 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.63 -43.05 89.59 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.149 0.886 . . . . 10.0 111.824 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.75 -45.09 91.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.321 1.049 . . . . 10.0 112.648 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.883 0.765 . . . . 10.0 112.254 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.54 74.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.816 0.846 . . . . 10.0 112.16 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.27 -40.96 97.05 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.423 -0.798 . . . . 10.0 111.351 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -45.97 91.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.196 0.907 . . . . 10.0 112.0 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.82 -56.95 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.413 1.006 . . . . 10.0 110.088 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -56.34 -45.19 80.52 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.017 0.927 . . . . 10.0 112.04 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.14 -45.26 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.872 1.214 . . . . 10.0 109.905 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -62.12 -50.36 72.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.337 0.655 . . . . 10.0 111.85 -171.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -71.68 -30.49 65.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.164 1.386 . . . . 10.0 113.715 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -71.21 -54.4 11.1 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.403 0.547 . . . . 10.0 111.575 170.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.09 -33.31 75.73 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.081 -1.012 . . . . 10.0 113.077 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -63.51 -3.74 2.34 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.535 1.68 . . . . 10.0 115.535 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.64 -32.9 2.82 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.652 1.114 . . . . 10.0 113.403 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.17 -26.63 64.0 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 125.478 1.511 . . . . 10.0 114.321 -170.744 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 112.35 0.5 . . . . 10.0 112.35 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 52.4 tp -124.01 85.03 54.62 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.686 1.994 . . . . 10.0 108.097 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.75 141.09 16.51 Favored 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 125.673 4.249 . . . . 10.0 113.663 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.4 p -54.21 -35.84 62.82 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 -170.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.59 -43.56 76.2 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.122 0.874 . . . . 10.0 112.934 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.76 -38.28 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.216 0.607 . . . . 10.0 110.097 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 18.4 ttt -53.64 -55.65 24.06 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.793 0.837 . . . . 10.0 110.47 174.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.24 -37.65 72.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.125 0.97 . . . . 10.0 113.3 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.68 -50.99 71.29 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.488 0.585 . . . . 10.0 112.038 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 15.7 t -63.18 -41.24 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.98 0.809 . . . . 10.0 111.219 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.55 -26.51 67.16 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.421 0.897 . . . . 10.0 113.421 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -78.4 -37.13 44.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.656 1.182 . . . . 10.0 113.375 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -80.17 -39.2 29.77 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.145 1.165 . . . . 10.0 114.145 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 117.677 2.473 . . . . 10.0 117.677 -169.78 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.5 tptt . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 119.088 -0.482 . . . . 10.0 111.979 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -57.73 -47.45 82.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.236 1.015 . . . . 10.0 112.728 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.34 -44.81 96.56 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 10.0 111.93 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -66.42 -46.1 77.67 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.592 0.757 . . . . 10.0 111.689 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.45 -21.08 59.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.379 1.471 . . . . 10.0 113.447 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.98 -32.3 53.55 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.302 0.955 . . . . 10.0 113.406 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.54 -52.35 16.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.65 0.78 . . . . 10.0 110.75 169.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . 0.434 ' HA ' ' CE1' ' B' ' 650' ' ' TYR . 61.0 mtt -61.08 -24.19 66.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.21 1.804 . . . . 10.0 114.58 -171.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 92.6 p -59.97 -27.57 66.94 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 12.7 m -56.68 -42.2 78.62 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.148 0.979 . . . . 10.0 113.516 -171.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.154 0 N-CA-C 114.543 0.577 . . . . 10.0 114.543 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -66.4 -16.08 63.8 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -57.67 -27.81 63.2 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.892 1.277 . . . . 10.0 113.579 -171.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -20.86 64.41 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -80.65 3.21 22.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.196 0.999 . . . . 10.0 113.508 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.25 144.49 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.921 1.688 . . . . 10.0 110.197 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 61.2 p -131.4 164.42 25.74 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.075 1.75 . . . . 10.0 110.697 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -36.41 79.08 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.484 -0.76 . . . . 10.0 112.243 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.52 -43.9 95.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.707 0.803 . . . . 10.0 111.773 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.31 -48.78 76.62 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.719 0.407 . . . . 10.0 110.907 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.09 -47.69 71.49 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.707 1.203 . . . . 10.0 112.696 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.9 m -56.55 -51.79 67.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.395 1.078 . . . . 10.0 111.698 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -72.1 -40.59 68.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.15 -49.51 75.55 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.487 1.039 . . . . 10.0 111.859 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.65 -45.1 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.277 0.944 . . . . 10.0 110.638 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.1 -50.72 72.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.699 0.681 . . . . 10.0 112.603 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.808 0.843 . . . . 10.0 112.989 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.612 ' HG ' HD11 ' B' ' 657' ' ' ILE . 1.8 tt -59.98 -50.69 72.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.553 1.141 . . . . 10.0 110.324 170.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.55 -43.13 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.158 0.983 . . . . 10.0 113.013 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -62.83 -40.0 96.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.251 0.932 . . . . 10.0 112.981 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.42 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -65.45 -42.2 92.59 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.737 -0.602 . . . . 10.0 111.716 173.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 77.3 mt -61.47 -44.96 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.606 1.162 . . . . 10.0 111.415 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -144.72 112.02 4.93 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.455 0.702 . . . . 10.0 110.383 169.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -57.02 -10.12 5.35 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.602 3.535 . . . . 10.0 117.506 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.6 148.79 0.12 Allowed Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 127.764 2.425 . . . . 10.0 113.67 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -85.57 -35.97 0.14 Allowed 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.636 2.891 . . . . 10.0 112.969 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -158.89 155.65 25.09 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 128.858 2.863 . . . . 10.0 108.773 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.39 -17.5 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.799 2.333 . . . . 10.0 113.648 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.21 71.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.709 0.804 . . . . 10.0 113.039 169.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.28 -35.22 80.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.312 -0.868 . . . . 10.0 112.201 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.36 -8.17 8.21 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.156 1.383 . . . . 10.0 113.81 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -119.1 15.04 13.21 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.019 2.128 . . . . 10.0 112.185 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -116.31 142.31 47.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.786 1.635 . . . . 10.0 111.561 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -20.84 59.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -177.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -67.23 -41.08 86.3 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.497 1.044 . . . . 10.0 111.827 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.6 tpt -74.62 -31.07 61.87 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.817 0.847 . . . . 10.0 112.006 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.04 -31.54 63.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.153 -0.967 . . . . 10.0 113.581 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.02 -44.25 94.72 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.369 -0.832 . . . . 10.0 111.914 171.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.24 -42.99 78.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.066 0.946 . . . . 10.0 111.446 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.25 -43.33 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.393 1.077 . . . . 10.0 111.865 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.27 68.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.702 1.201 . . . . 10.0 112.963 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.478 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.34 -42.34 95.48 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.073 0.851 . . . . 10.0 111.322 172.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.13 86.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.398 -0.81 . . . . 10.0 111.388 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.49 -43.34 89.0 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.618 1.099 . . . . 10.0 112.754 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.35 -49.4 77.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.556 1.142 . . . . 10.0 111.953 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.78 -38.46 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 122.959 0.504 . . . . 10.0 111.874 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.18 -42.05 72.7 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.701 1.137 . . . . 10.0 111.477 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.28 -31.54 80.85 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.378 0.989 . . . . 10.0 114.12 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.5 -37.13 60.36 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.822 1.311 . . . . 10.0 111.757 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 26.3 mmt -65.33 -41.54 93.87 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.269 1.027 . . . . 10.0 110.958 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.61 -44.69 95.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.471 1.509 . . . . 10.0 112.933 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.0 -29.78 70.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.259 -0.901 . . . . 10.0 112.574 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.7 t -76.66 -40.1 50.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.993 0.917 . . . . 10.0 113.183 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -67.83 136.95 54.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -79.25 -14.72 58.86 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.054 1.741 . . . . 10.0 113.338 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 59.7 p -152.98 164.19 38.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.613 1.565 . . . . 10.0 111.774 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -58.81 -41.7 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.459 0.703 . . . . 10.0 112.248 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -71.44 -32.47 68.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.899 0.48 . . . . 10.0 111.992 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.28 -39.51 82.09 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.453 -0.779 . . . . 10.0 111.824 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.48 -52.09 66.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.772 0.829 . . . . 10.0 111.336 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' ' 303' ' ' MET . 0.9 OUTLIER -51.97 -48.75 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 170.345 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -62.08 -40.05 94.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.15 0.58 . . . . 10.0 112.27 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.07 -41.91 90.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.488 1.115 . . . . 10.0 112.686 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.56 -48.17 81.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.768 0.713 . . . . 10.0 111.424 171.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.05 -30.06 66.13 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.26 -43.65 94.17 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.178 -0.952 . . . . 10.0 111.498 170.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -58.23 -38.97 77.88 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 10.0 112.23 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.612 HD11 ' HG ' ' B' ' 607' ' ' LEU . 18.8 mm -66.71 -45.31 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.797 -0.565 . . . . 10.0 112.447 174.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.0 -48.79 80.24 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.125 0.875 . . . . 10.0 111.721 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -54.38 11.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.299 2.239 . . . . 10.0 112.045 173.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.58 -51.55 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.339 0.655 . . . . 10.0 111.085 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.51 -47.79 80.25 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.922 -0.486 . . . . 10.0 112.309 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.2 mmpt? -71.14 -32.3 68.79 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.49 0.716 . . . . 10.0 112.88 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.36 -48.64 64.25 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.493 0.317 . . . . 10.0 111.611 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.11 -32.88 74.8 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.934 -1.104 . . . . 10.0 112.875 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -62.61 -6.81 3.82 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -108.23 -49.71 3.15 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.817 1.647 . . . . 10.0 110.984 169.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -67.36 -14.17 62.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.608 1.336 . . . . 10.0 114.608 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? . . . . . 0 N--CA 1.484 1.262 0 C-N-CA 126.685 1.994 . . . . 10.0 112.94 175.31 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 47.1 mt . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 113.424 0.898 . . . . 10.0 113.424 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.4 tp -128.22 77.85 76.31 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.173 1.789 . . . . 10.0 109.294 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.478 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 41.8 Cg_exo -41.62 134.94 3.4 Favored 'Trans proline' 0 C--N 1.352 0.722 1 C-N-CA 126.202 4.601 . . . . 10.0 114.013 177.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.5 m -55.04 -37.07 66.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.319 1.599 . . . . 10.0 115.319 -169.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.56 -37.66 82.99 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.704 0.684 . . . . 10.0 112.768 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.95 -43.05 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.883 0.873 . . . . 10.0 110.654 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 61.7 ttp -54.46 -51.8 63.86 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.447 0.699 . . . . 10.0 110.509 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -55.07 -38.71 68.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.394 1.478 . . . . 10.0 113.668 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -64.75 -52.54 56.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.098 0.959 . . . . 10.0 111.721 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.46 -39.99 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.436 -0.79 . . . . 10.0 111.621 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.93 -34.52 78.31 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.331 -0.856 . . . . 10.0 112.908 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -80.04 -31.91 39.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.9 1.074 . . . . 10.0 113.9 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -73.82 -41.06 62.86 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 116.797 2.147 . . . . 10.0 116.797 -171.44 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 111.741 0.274 . . . . 10.0 111.741 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -52.42 -48.2 65.89 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.88 1.672 . . . . 10.0 112.329 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.9 tp -77.47 -37.98 50.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.515 0.726 . . . . 10.0 112.715 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.71 -40.96 92.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.457 -0.777 . . . . 10.0 112.04 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.92 -34.49 74.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.528 1.531 . . . . 10.0 113.175 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.2 mt -58.62 -36.14 73.58 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.598 0.759 . . . . 10.0 112.799 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.59 -53.44 7.19 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.644 0.656 . . . . 10.0 110.219 168.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 38.0 ttm -55.13 -29.46 57.76 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.558 1.143 . . . . 10.0 114.063 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -58.31 -25.09 61.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.467 1.284 . . . . 10.0 114.467 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.4 m -59.59 -39.15 83.2 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.585 1.084 . . . . 10.0 113.605 -172.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 113.38 0.882 . . . . 10.0 113.38 177.463 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.28 0 N-CA-C 115.372 0.909 . . . . 10.0 115.372 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.2 p-90 -61.43 -19.78 62.35 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -60.63 -24.84 65.84 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.856 1.262 . . . . 10.0 112.68 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.74 -5.32 39.96 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.956 1.302 . . . . 10.0 113.572 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -114.68 20.15 15.48 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.928 2.091 . . . . 10.0 112.214 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.46 134.51 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.508 1.923 . . . . 10.0 109.357 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 80.5 p -100.29 159.11 15.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.448 1.099 . . . . 10.0 111.4 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.53 -35.84 76.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.403 -0.81 . . . . 10.0 111.532 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.49 -37.62 88.0 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.652 -0.655 . . . . 10.0 112.414 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 40.1 tp -63.46 -46.89 84.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.91 -0.567 . . . . 10.0 111.336 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -55.81 -50.63 69.98 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.044 0.838 . . . . 10.0 111.789 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.5 m -56.82 -53.56 56.41 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.018 0.927 . . . . 10.0 112.728 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.86 -38.62 86.69 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.958 -0.544 . . . . 10.0 111.896 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.23 -44.39 95.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.441 -1.266 . . . . 10.0 112.07 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.9 -49.03 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 120.576 1.535 . . . . 10.0 110.747 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -41.78 69.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.602 0.761 . . . . 10.0 112.829 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -82.62 -30.91 29.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.829 0.851 . . . . 10.0 113.018 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.544 ' HG ' HD11 ' B' ' 657' ' ' ILE . 3.6 tp -58.72 -47.92 82.94 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.386 1.074 . . . . 10.0 108.42 169.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 54.7 t -54.8 -45.65 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 10.0 112.264 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -62.37 -39.62 93.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.974 1.261 . . . . 10.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -73.0 -29.23 62.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 53.4 mt -68.28 -55.06 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.598 -0.689 . . . . 10.0 109.834 170.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 8.6 t80 -150.14 118.49 3.64 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.482 1.113 . . . . 10.0 110.823 172.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -61.04 -8.42 9.87 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.892 3.062 . . . . 10.0 117.127 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.0 148.72 0.12 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 127.522 2.329 . . . . 10.0 113.472 -172.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -87.47 -37.23 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.466 2.777 . . . . 10.0 112.928 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -160.17 158.07 25.67 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 128.821 2.848 . . . . 10.0 108.976 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.61 -22.87 37.37 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.603 2.202 . . . . 10.0 113.137 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -63.2 -21.66 66.36 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 171.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.28 -50.4 22.41 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.407 -0.808 . . . . 10.0 111.775 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.83 -16.02 64.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.67 -6.01 52.4 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.378 1.871 . . . . 10.0 113.509 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -123.17 153.33 40.18 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.848 1.259 . . . . 10.0 113.538 -171.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -55.55 -31.82 62.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.254 1.422 . . . . 10.0 113.33 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -51.58 -47.25 63.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.587 1.155 . . . . 10.0 112.671 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.6 tpt -81.78 -30.6 32.23 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.675 0.79 . . . . 10.0 112.245 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -55.37 -32.16 62.35 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 113.566 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -56.89 -47.28 80.85 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.864 0.866 . . . . 10.0 112.023 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.94 -40.34 75.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.343 1.457 . . . . 10.0 111.767 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.74 -44.41 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.06 1.344 . . . . 10.0 111.924 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.381 1.072 . . . . 10.0 112.155 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 -45.9 84.57 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.475 1.11 . . . . 10.0 111.548 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.24 99.49 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.742 0.817 . . . . 10.0 112.4 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -44.02 96.54 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.899 0.772 . . . . 10.0 112.312 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.92 -44.3 93.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.914 0.886 . . . . 10.0 112.173 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.4 -51.14 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.758 0.823 . . . . 10.0 110.692 172.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.04 -46.56 71.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.95 0.795 . . . . 10.0 112.213 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.05 90.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.907 0.765 . . . . 10.0 114.108 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.33 -34.91 65.91 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.79 1.295 . . . . 10.0 111.818 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 31.8 mmt -71.71 -39.18 70.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.097 0.959 . . . . 10.0 110.989 174.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -62.41 -48.18 80.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.241 1.417 . . . . 10.0 112.673 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.0 -27.7 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.816 -1.178 . . . . 10.0 113.117 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -79.84 -32.51 40.57 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.045 1.128 . . . . 10.0 114.045 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.33 24.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.781 1.401 . . . . 10.0 114.781 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -116.28 -5.73 11.82 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.741 2.016 . . . . 10.0 112.448 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.3 p -152.54 163.49 39.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.996 1.718 . . . . 10.0 111.579 169.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.22 -41.69 96.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.575 0.75 . . . . 10.0 112.988 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.05 -33.5 75.64 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.25 -39.48 71.61 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.259 -0.901 . . . . 10.0 111.641 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.71 -52.7 64.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.649 1.18 . . . . 10.0 111.738 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -49.86 -47.99 51.43 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -61.39 -41.71 97.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.947 0.794 . . . . 10.0 112.314 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.73 -44.83 88.92 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.956 0.903 . . . . 10.0 112.685 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 61.8 mt -55.8 -54.3 46.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.295 0.952 . . . . 10.0 110.832 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.45 -29.46 69.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.884 0.874 . . . . 10.0 112.511 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.79 -46.91 83.06 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.055 1.298 . . . . 10.0 111.757 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -66.0 -41.1 91.49 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.748 -0.595 . . . . 10.0 110.782 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.544 HD11 ' HG ' ' B' ' 607' ' ' LEU . 15.4 mm -57.86 -40.81 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 123.671 0.788 . . . . 10.0 111.591 169.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.36 -47.31 76.86 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 119.459 1.027 . . . . 10.0 111.397 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -52.0 -59.4 4.4 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.36 0.982 . . . . 10.0 110.485 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 67.0 mt -55.52 -55.38 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.424 0.689 . . . . 10.0 111.416 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -65.62 -51.23 61.16 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.351 -0.843 . . . . 10.0 112.622 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . 0.408 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 0.3 OUTLIER -68.79 -39.0 80.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.449 1.1 . . . . 10.0 112.289 -171.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.61 -52.87 59.03 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.549 1.14 . . . . 10.0 111.42 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.7 mp -55.31 -42.14 73.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.451 0.7 . . . . 10.0 112.694 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.66 -15.88 9.02 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.85 1.426 . . . . 10.0 114.85 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -119.45 -34.94 3.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.859 1.059 . . . . 10.0 113.859 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -73.36 -8.04 54.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-N 119.854 1.206 . . . . 10.0 113.425 169.207 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 27.2 mm . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 118.129 -0.939 . . . . 10.0 113.062 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.5 tp -129.84 83.84 62.76 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.446 1.498 . . . . 10.0 110.139 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.63 143.56 16.07 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 125.247 3.965 . . . . 10.0 113.364 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 45.0 p -58.03 -32.29 67.82 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.61 -45.38 68.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.484 0.713 . . . . 10.0 112.643 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.42 -37.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.081 0.552 . . . . 10.0 109.623 173.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 21.4 ttt -57.38 -55.51 33.81 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.329 -0.857 . . . . 10.0 111.374 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.47 -31.82 70.81 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.4 -57.52 9.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.298 0.639 . . . . 10.0 110.634 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.16 -34.63 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.113 -0.992 . . . . 10.0 113.375 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.37 -40.49 97.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.578 1.536 . . . . 10.0 111.361 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -79.96 -36.66 35.81 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.01 1.724 . . . . 10.0 114.96 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . 0.422 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 98.6 m-20 -65.24 -50.87 64.17 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -169.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 114.746 1.388 . . . . 10.0 114.746 -169.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 119.011 -0.519 . . . . 10.0 111.842 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.98 -46.81 78.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.851 1.26 . . . . 10.0 112.809 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.02 -43.53 98.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 10.0 111.929 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.16 -45.0 74.71 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.319 0.58 . . . . 10.0 111.558 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.22 -23.39 62.0 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.584 1.953 . . . . 10.0 113.1 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.23 -41.58 75.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.509 1.124 . . . . 10.0 112.524 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.32 -50.76 62.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.147 0.43 . . . . 10.0 111.118 169.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 65.3 mtt -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.834 0.854 . . . . 10.0 113.253 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 50.6 m -63.8 -20.17 65.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.172 1.789 . . . . 10.0 114.475 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 63.0 m -58.25 -25.14 61.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.547 1.539 . . . . 10.0 114.834 -171.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 177.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.244 0 N-CA-C 115.487 0.955 . . . . 10.0 115.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -66.31 -9.96 38.04 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.54 -25.51 64.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.079 1.352 . . . . 10.0 113.32 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.54 -20.84 49.74 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -86.41 2.96 45.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.687 1.195 . . . . 10.0 113.548 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.85 158.19 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.932 1.693 . . . . 10.0 111.121 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 5.4 t -139.31 158.99 43.2 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.339 1.856 . . . . 10.0 110.36 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -56.61 -31.25 64.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.952 0.901 . . . . 10.0 112.522 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.13 -40.35 95.63 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.857 0.863 . . . . 10.0 112.651 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.7 -51.09 62.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.346 1.059 . . . . 10.0 110.962 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -60.76 -40.26 91.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.806 0.842 . . . . 10.0 112.881 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.6 m -55.74 -49.46 73.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.062 0.945 . . . . 10.0 112.044 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.15 -36.2 71.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.614 0.766 . . . . 10.0 112.308 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.17 -44.88 95.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.439 -0.791 . . . . 10.0 112.307 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.11 -49.61 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.402 1.001 . . . . 10.0 110.388 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -45.72 73.18 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.271 0.628 . . . . 10.0 112.477 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.0 -40.83 52.86 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.386 1.474 . . . . 10.0 113.181 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.79 -47.72 76.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.674 1.59 . . . . 10.0 109.023 169.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.24 -38.78 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 117.938 -1.029 . . . . 10.0 113.65 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -60.31 -39.54 87.36 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.721 1.6 . . . . 10.0 112.898 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.92 72.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.687 -0.633 . . . . 10.0 112.707 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.6 mt -65.71 -43.66 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.322 1.049 . . . . 10.0 111.201 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -146.67 109.35 4.12 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.73 0.812 . . . . 10.0 111.003 170.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -60.39 -8.37 8.56 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.391 3.394 . . . . 10.0 117.307 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 43.1 p 66.2 152.6 0.12 Allowed Pre-proline 0 N--CA 1.486 1.331 0 C-N-CA 128.935 2.894 . . . . 10.0 115.567 -174.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.85 -28.21 3.44 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.833 2.355 . . . . 10.0 112.097 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -159.88 159.52 27.34 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 126.772 2.029 . . . . 10.0 110.872 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.31 -7.39 19.64 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.656 2.238 . . . . 10.0 115.02 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -90.16 -26.31 20.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.89 1.223 . . . . 10.0 112.211 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.82 64.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.612 1.096 . . . . 10.0 112.734 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 51.5 mt -54.91 -32.69 61.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.11 1.364 . . . . 10.0 113.98 171.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -87.12 -12.17 47.89 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.943 1.297 . . . . 10.0 113.833 -170.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -102.94 159.91 15.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.638 0.977 . . . . 10.0 113.638 -173.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.61 54.14 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.218 1.807 . . . . 10.0 113.245 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -52.47 -30.9 32.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.945 1.298 . . . . 10.0 113.856 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.4 tpt -96.2 -35.69 11.2 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.616 1.166 . . . . 10.0 112.16 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -56.54 -29.29 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.255 -0.903 . . . . 10.0 113.087 173.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -57.78 -43.34 85.48 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.226 -0.921 . . . . 10.0 113.108 171.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.52 -45.94 61.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.686 1.194 . . . . 10.0 111.017 174.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.77 -41.18 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.104 0.962 . . . . 10.0 112.265 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.47 96.01 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.788 1.235 . . . . 10.0 112.772 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.466 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.68 -41.84 91.98 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.574 -0.704 . . . . 10.0 111.094 172.145 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.88 86.88 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.132 -0.98 . . . . 10.0 113.147 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -61.9 -45.87 91.84 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.37 0.987 . . . . 10.0 111.933 171.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.84 -44.79 93.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.353 1.061 . . . . 10.0 112.11 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.24 -47.69 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.697 0.799 . . . . 10.0 111.337 174.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -52.22 -52.11 54.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.648 1.113 . . . . 10.0 111.629 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.89 -12.39 42.26 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.488 1.042 . . . . 10.0 115.428 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.98 -36.83 7.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 10.0 111.944 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.6 mmt -64.1 -39.2 93.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.851 . . . . 10.0 110.939 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.4 -24.07 66.25 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.401 1.88 . . . . 10.0 113.588 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -104.16 10.04 35.99 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.432 1.493 . . . . 10.0 113.137 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.1 m -118.4 11.68 13.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.083 1.353 . . . . 10.0 113.441 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.47 143.32 50.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.892 1.277 . . . . 10.0 113.147 -171.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -10.07 57.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.748 1.219 . . . . 10.0 113.62 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 76.8 p -151.91 163.55 39.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.119 1.368 . . . . 10.0 112.249 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -59.6 -39.78 85.3 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.134 0.974 . . . . 10.0 112.259 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.73 -42.11 99.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.467 1.107 . . . . 10.0 112.631 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.07 -37.15 78.34 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.322 -0.861 . . . . 10.0 112.251 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.26 -50.43 73.63 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.25 -0.907 . . . . 10.0 111.895 171.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -53.13 -47.79 68.41 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.38 -41.21 88.81 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.758 0.708 . . . . 10.0 112.223 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.25 -40.2 90.02 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.002 -0.999 . . . . 10.0 112.94 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.2 -48.99 79.55 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.569 1.077 . . . . 10.0 110.518 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.33 -29.25 69.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.165 1.386 . . . . 10.0 113.005 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.4 -42.4 87.9 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.482 1.113 . . . . 10.0 112.586 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -38.8 87.04 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.295 0.952 . . . . 10.0 111.168 174.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.9 mm -54.92 -52.39 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.249 1.02 . . . . 10.0 111.257 170.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -59.8 -45.89 90.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.718 0.807 . . . . 10.0 112.408 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -52.62 -57.28 10.53 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.909 0.777 . . . . 10.0 110.677 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 78.5 mt -56.79 -47.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.33 0.652 . . . . 10.0 111.063 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -60.98 -50.96 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . 0.488 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.7 mmpt? -71.98 -31.05 65.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.493 1.117 . . . . 10.0 113.305 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.15 -33.89 63.67 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.638 0.775 . . . . 10.0 112.931 175.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.7 mp -89.61 -44.62 9.94 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.27 -44.69 75.87 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.107 1.322 . . . . 10.0 113.519 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.57 -42.09 92.16 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.53 -0.731 . . . . 10.0 112.571 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -78.08 -7.88 57.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.803 1.241 . . . . 10.0 113.642 -177.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? . . . . . 0 N--CA 1.481 1.102 0 C-N-CA 126.704 2.002 . . . . 10.0 113.335 176.663 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 28.5 mm . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 28.4 tp -150.88 72.93 8.75 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.035 1.734 . . . . 10.0 108.197 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.466 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 32.2 Cg_exo -40.7 124.8 1.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 1 C-N-CA 125.746 4.297 . . . . 10.0 113.928 175.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.2 m -57.92 -37.31 73.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.76 -36.11 79.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.689 0.796 . . . . 10.0 112.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.21 -43.69 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.767 0.827 . . . . 10.0 109.61 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 65.0 ttp -53.35 -49.91 66.13 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.63 1.172 . . . . 10.0 111.395 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.84 -39.63 65.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.444 0.698 . . . . 10.0 112.691 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.57 -44.19 78.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.75 0.82 . . . . 10.0 112.193 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.0 t -58.59 -46.85 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.726 1.148 . . . . 10.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.28 -39.65 94.35 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.858 0.754 . . . . 10.0 112.356 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.42 -34.2 63.17 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.362 0.875 . . . . 10.0 113.362 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -79.83 -48.71 13.09 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 117.978 2.584 . . . . 10.0 117.978 -169.711 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.58 -50.51 67.83 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.561 1.144 . . . . 10.0 112.09 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.1 tp -61.11 -43.33 99.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.466 1.106 . . . . 10.0 112.087 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.17 -46.31 87.76 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.128 0.571 . . . . 10.0 111.198 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 43.0 tp -72.74 -28.6 62.73 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.833 1.653 . . . . 10.0 113.914 -176.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.54 -44.88 69.56 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.432 1.093 . . . . 10.0 112.54 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.16 -52.07 60.79 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.517 0.599 . . . . 10.0 111.899 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.3 mtm -58.57 -24.28 60.48 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.949 1.092 . . . . 10.0 113.949 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 35.3 m -76.38 -19.93 57.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.026 1.33 . . . . 10.0 114.558 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.9 m -53.82 -37.97 64.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.334 1.605 . . . . 10.0 115.334 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 CA--C 1.547 0.836 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 178.666 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.279 0 N-CA-C 114.781 0.673 . . . . 10.0 114.781 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -62.2 -14.0 33.35 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.583 1.697 . . . . 10.0 115.583 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -57.59 -27.7 62.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.34 . . . . 10.0 113.641 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.45 -18.09 36.58 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -77.19 -1.2 28.23 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.694 1.198 . . . . 10.0 114.009 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.42 153.89 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.061 1.744 . . . . 10.0 110.6 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 76.9 p -127.45 158.74 36.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.951 1.701 . . . . 10.0 111.177 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -58.29 -31.89 67.9 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.571 -0.706 . . . . 10.0 112.555 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -63.33 -44.48 94.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.826 0.85 . . . . 10.0 112.051 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.33 -45.33 84.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.875 -0.583 . . . . 10.0 111.408 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -54.8 -47.6 73.8 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.215 0.916 . . . . 10.0 111.962 174.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 63.8 m -59.17 -49.43 77.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.577 1.151 . . . . 10.0 112.271 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -66.07 -44.03 85.67 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.443 0.697 . . . . 10.0 111.502 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.86 -38.51 91.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 117.787 -1.101 . . . . 10.0 112.982 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 21.6 t -54.71 -50.96 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.153 1.342 . . . . 10.0 111.133 170.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -64.88 -41.83 95.3 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.927 -0.483 . . . . 10.0 112.219 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.33 -33.94 77.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 10.0 112.87 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.482 ' HA ' HD11 ' B' ' 657' ' ' ILE . 2.4 tp -57.26 -54.74 43.36 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.483 1.113 . . . . 10.0 109.25 169.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.41 -45.18 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.957 1.303 . . . . 10.0 112.887 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -64.27 -33.87 76.81 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.63 70.41 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.749 0.704 . . . . 10.0 111.129 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 62.1 mt -58.91 -46.71 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.305 1.042 . . . . 10.0 110.863 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 0.6 OUTLIER -142.43 100.91 5.65 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.093 0.957 . . . . 10.0 110.446 171.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -62.84 95.64 0.16 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.177 3.252 . . . . 10.0 109.971 168.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.5 t -50.51 142.64 15.13 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.848 1.659 . . . . 10.0 113.785 -170.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.402 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 11.6 Cg_exo -62.07 -42.02 32.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.401 2.734 . . . . 10.0 111.37 174.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -155.19 162.44 27.25 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.059 2.144 . . . . 10.0 109.989 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.65 -21.71 51.6 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.404 2.07 . . . . 10.0 111.837 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.77 -16.0 62.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.357 1.463 . . . . 10.0 114.65 170.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -92.57 -22.92 19.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.033 0.933 . . . . 10.0 112.886 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.29 -28.76 68.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.501 1.12 . . . . 10.0 113.47 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.83 -4.86 56.18 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.712 1.375 . . . . 10.0 114.712 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.96 132.86 48.79 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.478 1.035 . . . . 10.0 110.509 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.98 -35.89 26.1 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -69.6 -36.95 76.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.558 1.143 . . . . 10.0 112.22 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.5 tpt -70.28 -37.34 74.84 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.947 0.499 . . . . 10.0 111.32 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.27 -34.95 77.55 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.175 -0.953 . . . . 10.0 113.168 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.47 -39.25 85.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.272 -0.892 . . . . 10.0 111.894 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 17.9 tp -61.45 -49.02 78.52 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.29 0.95 . . . . 10.0 111.16 170.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.5 t -51.53 -43.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.096 1.358 . . . . 10.0 112.442 173.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.17 73.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.46 1.104 . . . . 10.0 113.051 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -62.95 -42.74 99.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.556 -0.715 . . . . 10.0 111.27 174.4 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.63 82.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.974 0.91 . . . . 10.0 111.721 172.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.05 -48.16 80.95 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 119.856 1.207 . . . . 10.0 112.852 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.92 -45.87 92.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.057 0.943 . . . . 10.0 112.128 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.97 -33.02 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.763 -0.636 . . . . 10.0 112.097 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -44.22 76.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.388 1.449 . . . . 10.0 111.42 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.81 -26.93 73.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 123.938 0.78 . . . . 10.0 114.429 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.77 -36.27 28.68 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.722 1.261 . . . . 10.0 111.86 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.24 -37.65 87.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.573 1.149 . . . . 10.0 111.04 172.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -62.52 -49.76 74.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.201 1.401 . . . . 10.0 112.611 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.45 -22.11 64.6 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.766 -1.208 . . . . 10.0 114.154 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.5 m -76.09 -24.42 55.02 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.02 156.22 19.84 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.109 1.151 . . . . 10.0 114.109 -170.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -117.47 -3.62 11.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.069 2.148 . . . . 10.0 112.041 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 62.3 p -152.46 162.76 40.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.91 1.684 . . . . 10.0 111.876 170.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -59.81 -40.95 90.11 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.484 0.714 . . . . 10.0 112.383 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.307 1.043 . . . . 10.0 112.149 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.94 -39.35 83.46 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.601 -0.687 . . . . 10.0 112.315 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.02 -54.22 49.37 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 10.0 111.832 173.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -51.86 -47.38 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.62 -38.62 91.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.826 0.739 . . . . 10.0 112.419 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.71 -43.41 89.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.528 1.131 . . . . 10.0 112.4 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 53.2 mt -59.13 -48.88 79.97 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.747 0.703 . . . . 10.0 111.436 170.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.13 75.09 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.917 0.887 . . . . 10.0 112.796 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.08 -44.54 84.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.178 0.991 . . . . 10.0 111.96 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -59.82 -44.01 94.25 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.129 0.877 . . . . 10.0 111.616 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' B' ' 607' ' ' LEU . 4.5 mm -60.67 -45.24 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.037 0.935 . . . . 10.0 111.451 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.75 -52.86 62.51 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.546 1.138 . . . . 10.0 111.753 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -50.4 9.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.185 2.194 . . . . 10.0 112.363 172.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.37 -54.94 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.898 0.879 . . . . 10.0 110.512 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.63 -52.73 55.91 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.82 -22.1 62.38 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.887 1.221 . . . . 10.0 113.545 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -76.73 -44.47 33.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.088 0.555 . . . . 10.0 111.79 171.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.6 mp -56.58 -41.73 77.47 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.705 0.802 . . . . 10.0 111.579 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.99 5.36 0.51 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.384 1.474 . . . . 10.0 114.766 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.99 -44.86 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.8 1.24 . . . . 10.0 112.238 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -61.48 -29.14 69.79 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.802 1.183 . . . . 10.0 114.18 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 . . . . . 0 N--CA 1.485 1.32 0 C-N-CA 124.868 1.267 . . . . 10.0 114.073 173.016 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 41.4 tp -151.4 80.04 6.49 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.093 1.757 . . . . 10.0 108.657 169.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.44 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 99.9 Cg_exo -43.21 134.59 6.15 Favored 'Trans proline' 0 C--N 1.353 0.768 1 C-N-CA 125.901 4.4 . . . . 10.0 113.601 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -59.35 -38.58 80.73 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -172.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.44 -39.68 85.4 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.503 -0.748 . . . . 10.0 112.289 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -69.39 -41.15 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 123.884 0.874 . . . . 10.0 110.696 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 47.7 ttm -53.2 -55.59 23.12 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.931 0.892 . . . . 10.0 110.322 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.96 -42.21 79.71 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.85 -47.67 85.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.994 0.918 . . . . 10.0 112.552 173.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.07 -41.79 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 10.0 111.881 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.5 -33.14 75.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.355 0.979 . . . . 10.0 112.206 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.78 -42.26 50.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.174 0.99 . . . . 10.0 112.83 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 35.1 m-80 -78.88 -52.41 8.34 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.081 1.141 . . . . 10.0 114.081 -174.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 117.862 2.542 . . . . 10.0 117.862 -169.161 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 111.679 0.252 . . . . 10.0 111.679 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.9 -48.26 78.61 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.467 1.507 . . . . 10.0 112.506 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.55 -36.59 63.11 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.532 0.733 . . . . 10.0 112.328 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.73 -41.55 92.09 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.434 -0.791 . . . . 10.0 112.375 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.42 -31.48 72.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.312 1.445 . . . . 10.0 113.142 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 45.7 mt -57.29 -38.41 73.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.738 0.815 . . . . 10.0 112.597 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 39.6 mt -75.39 -53.81 8.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.973 0.806 . . . . 10.0 111.03 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 49.7 ttm -53.65 -35.28 60.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.865 1.266 . . . . 10.0 113.913 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 65.3 m -57.27 -24.57 55.74 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 17.8 m -56.74 -39.37 73.84 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.023 0.829 . . . . 10.0 112.815 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.64 0 O-C-N 121.401 -0.812 . . . . 10.0 112.917 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.286 0 N-CA-C 115.72 1.048 . . . . 10.0 115.72 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -64.19 -20.5 66.06 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.872 1.434 . . . . 10.0 114.872 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -62.97 -28.11 69.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.088 0.955 . . . . 10.0 111.987 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -73.32 -1.03 16.37 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.745 1.618 . . . . 10.0 113.323 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -118.22 20.07 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.836 2.054 . . . . 10.0 112.021 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.78 130.89 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.418 1.887 . . . . 10.0 109.856 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -94.03 158.17 15.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.481 1.112 . . . . 10.0 111.651 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.05 -32.01 70.51 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.503 -0.748 . . . . 10.0 111.777 170.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -43.85 97.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.192 0.997 . . . . 10.0 112.246 174.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -47.93 83.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.165 0.586 . . . . 10.0 111.226 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -56.2 -50.62 70.71 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.633 0.773 . . . . 10.0 112.074 174.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.2 m -59.55 -49.68 76.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.608 1.163 . . . . 10.0 112.255 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.11 -41.88 85.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.72 -0.657 . . . . 10.0 111.329 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.52 -37.97 89.34 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.73 1.15 . . . . 10.0 112.734 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 37.9 t -56.64 -51.23 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.182 1.355 . . . . 10.0 110.666 169.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -36.75 73.15 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.09 -33.23 57.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.232 1.413 . . . . 10.0 112.123 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' B' ' 657' ' ' ILE . 1.7 tp -59.51 -48.45 81.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.791 1.236 . . . . 10.0 110.016 169.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.94 -41.38 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.734 1.214 . . . . 10.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -60.69 -21.99 63.44 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.139 1.163 . . . . 10.0 114.139 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -110.42 15.51 22.16 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.387 1.475 . . . . 10.0 112.479 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.58 -45.2 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.476 1.511 . . . . 10.0 109.431 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' B' ' 614' ' ' THR . 2.9 t80 -137.23 98.77 10.09 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 124.495 1.118 . . . . 10.0 108.432 169.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -1.67 0.86 Allowed 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 124.74 3.627 . . . . 10.0 116.639 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . 0.433 ' HA ' ' CE1' ' B' ' 612' ' ' PHE 0.259 40.8 p 53.34 150.19 0.04 OUTLIER Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 131.578 3.951 . . . . 10.0 117.739 -173.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.73 -27.47 14.93 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.011 2.474 . . . . 10.0 112.047 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.14 150.12 10.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 128.095 2.558 . . . . 10.0 108.499 -171.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.24 -16.91 53.44 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.17 1.913 . . . . 10.0 113.786 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -70.44 -26.17 63.53 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.9 1.227 . . . . 10.0 113.009 169.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.14 66.63 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.84 -1.163 . . . . 10.0 113.198 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.64 -27.85 69.51 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.845 1.258 . . . . 10.0 112.562 169.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -91.61 -10.08 41.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.536 1.535 . . . . 10.0 113.443 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.85 142.69 57.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.915 0.886 . . . . 10.0 112.185 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -64.74 -21.3 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -27.97 52.13 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.117 0.967 . . . . 10.0 112.609 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -29.8 70.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.753 0.821 . . . . 10.0 112.053 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.53 -28.26 44.22 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.438 1.273 . . . . 10.0 114.438 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -66.79 -42.85 85.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.273 -0.892 . . . . 10.0 111.678 172.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.8 -40.77 79.43 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.307 1.043 . . . . 10.0 111.533 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.0 t -55.39 -49.06 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.348 1.459 . . . . 10.0 111.998 170.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.66 84.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.126 -0.984 . . . . 10.0 112.783 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -58.56 -46.2 87.39 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.243 1.017 . . . . 10.0 111.697 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.95 96.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.529 0.731 . . . . 10.0 111.961 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.47 -43.53 93.22 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.398 0.999 . . . . 10.0 112.672 172.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -60.44 -51.41 69.6 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.953 0.901 . . . . 10.0 111.133 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.57 -49.68 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.24 0.616 . . . . 10.0 111.119 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.79 -44.55 77.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.962 0.905 . . . . 10.0 112.11 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.24 93.24 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.958 0.789 . . . . 10.0 113.826 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.6 -33.09 68.72 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.92 1.36 . . . . 10.0 112.063 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.8 mmt -73.01 -40.15 65.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.413 1.085 . . . . 10.0 111.196 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -64.12 -48.37 76.35 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.293 1.437 . . . . 10.0 113.643 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.29 -13.82 42.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.875 1.435 . . . . 10.0 114.875 -174.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -126.73 -8.26 6.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.999 1.851 . . . . 10.0 115.999 -169.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 140.29 44.95 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.707 1.14 . . . . 10.0 112.604 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.09 -26.14 65.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.802 1.241 . . . . 10.0 113.743 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 92.4 p -150.24 166.34 30.21 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.596 1.558 . . . . 10.0 111.883 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -60.54 -40.65 92.32 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.813 0.845 . . . . 10.0 112.467 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.86 -44.1 94.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.148 0.979 . . . . 10.0 112.781 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.28 -36.88 80.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.379 -0.825 . . . . 10.0 112.131 175.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.13 -51.79 68.5 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 111.515 172.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -51.97 -48.05 64.54 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -62.51 -41.59 98.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.345 0.521 . . . . 10.0 112.145 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 48.8 mt -63.87 -45.38 89.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.403 1.081 . . . . 10.0 112.702 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 38.3 mt -54.57 -53.55 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.859 0.754 . . . . 10.0 110.321 171.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.89 74.25 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.959 0.904 . . . . 10.0 113.045 -175.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.13 -46.58 77.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.412 1.085 . . . . 10.0 111.606 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.588 -0.695 . . . . 10.0 111.448 171.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.543 HD11 ' HG ' ' B' ' 607' ' ' LEU . 6.2 mm -57.83 -39.01 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.66 0.784 . . . . 10.0 112.539 170.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -64.75 -48.5 74.33 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.285 0.948 . . . . 10.0 110.849 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -46.72 38.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.469 1.508 . . . . 10.0 112.921 171.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 46.4 mm -70.49 -58.7 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 119.672 1.124 . . . . 10.0 112.297 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -72.66 -41.69 65.14 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -39.44 93.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.258 0.935 . . . . 10.0 111.581 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.5 -48.14 82.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.138 0.575 . . . . 10.0 111.573 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.52 -39.34 70.41 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.049 0.84 . . . . 10.0 112.18 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.94 -10.62 14.25 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.213 1.56 . . . . 10.0 115.213 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -133.85 -22.68 1.84 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -98.55 -1.14 41.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.657 1.583 . . . . 10.0 113.345 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 C-N-CA 125.233 1.413 . . . . 10.0 114.666 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.702 0.287 . . . . 10.0 111.105 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 18.9 tp -137.77 77.88 37.75 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.395 1.478 . . . . 10.0 109.581 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.47 138.85 18.09 Favored 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.772 4.315 . . . . 10.0 113.784 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 36.8 m -58.38 -36.83 74.11 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.916 1.45 . . . . 10.0 114.916 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.97 -41.26 78.15 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.489 -0.757 . . . . 10.0 112.561 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.6 -42.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.237 1.015 . . . . 10.0 110.027 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 50.8 ttp -58.01 -54.27 48.88 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.996 0.918 . . . . 10.0 111.18 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.68 -39.8 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.1 0.864 . . . . 10.0 113.112 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -64.69 -46.31 82.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.178 0.591 . . . . 10.0 112.294 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.87 -45.64 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.542 -0.724 . . . . 10.0 111.476 172.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.78 -32.46 73.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.322 0.965 . . . . 10.0 112.894 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -69.51 -47.95 62.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.288 1.035 . . . . 10.0 111.836 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -80.06 -39.6 29.44 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.659 1.726 . . . . 10.0 115.659 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 120.203 3.409 . . . . 10.0 120.203 -170.351 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 119.296 -0.383 . . . . 10.0 111.527 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.93 -52.0 65.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.397 1.479 . . . . 10.0 112.043 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.39 -43.33 99.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.794 1.238 . . . . 10.0 112.161 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.52 -45.68 78.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.366 1.066 . . . . 10.0 112.325 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.01 -26.76 63.26 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.229 1.812 . . . . 10.0 113.272 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.63 -41.92 67.22 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.965 0.906 . . . . 10.0 113.213 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . 0.4 ' HA ' ' HE3' ' B' ' 606' ' ' LYS . 11.9 mt -61.38 -54.93 37.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.687 0.795 . . . . 10.0 111.968 170.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.02 -26.89 66.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.553 1.541 . . . . 10.0 113.771 -171.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 83.2 p -58.61 -25.95 63.17 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.811 1.412 . . . . 10.0 114.811 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.6 m -59.55 -38.28 80.66 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.515 1.126 . . . . 10.0 113.849 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 CA--C 1.539 0.526 0 O-C-N 121.172 -0.955 . . . . 10.0 112.271 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.365 0 N-CA-C 115.458 0.943 . . . . 10.0 115.458 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -53.34 -22.1 6.79 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.662 1.585 . . . . 10.0 114.753 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.49 -28.52 59.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.162 1.385 . . . . 10.0 113.141 173.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.31 -8.15 23.31 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.979 1.311 . . . . 10.0 113.854 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -122.21 4.36 9.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.133 1.773 . . . . 10.0 112.853 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 99.6 t -81.1 152.01 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.902 1.281 . . . . 10.0 110.265 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.5 p -131.8 154.62 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.053 1.341 . . . . 10.0 110.418 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.21 -36.58 80.31 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.399 -0.813 . . . . 10.0 111.529 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -59.06 -41.18 87.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.896 0.878 . . . . 10.0 112.395 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.27 -54.32 42.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.017 0.527 . . . . 10.0 110.733 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -53.64 -47.49 70.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.408 0.683 . . . . 10.0 112.139 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.9 m -58.1 -53.03 62.86 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.297 1.039 . . . . 10.0 112.915 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -68.06 -37.02 80.82 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.026 -0.421 . . . . 10.0 112.053 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.27 -41.27 90.13 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.257 -0.877 . . . . 10.0 112.539 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.49 -48.53 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.737 1.153 . . . . 10.0 110.435 169.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.62 -45.36 92.19 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 302' ' ' LEU . 13.0 ttpt -67.13 -32.14 73.07 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.168 0.987 . . . . 10.0 112.681 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -54.27 46.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.838 0.855 . . . . 10.0 109.079 169.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.83 -46.1 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.371 1.469 . . . . 10.0 112.848 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -59.82 -38.99 83.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.787 0.721 . . . . 10.0 112.724 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.56 65.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.469 HG12 HD13 ' B' ' 660' ' ' ILE . 92.5 mt -57.9 -47.44 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.342 1.057 . . . . 10.0 110.906 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . 0.433 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 3.4 t80 -149.33 109.84 3.42 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.676 0.79 . . . . 10.0 110.453 170.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -57.17 -8.2 3.3 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 124.551 3.5 . . . . 10.0 117.289 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 72.25 147.02 0.12 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 128.787 2.835 . . . . 10.0 114.397 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.433 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 55.6 Cg_endo -85.29 -28.83 0.75 Allowed 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.795 2.997 . . . . 10.0 112.621 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -162.09 147.04 9.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 127.908 2.483 . . . . 10.0 108.994 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -67.26 -15.0 44.93 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.17 1.914 . . . . 10.0 113.999 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.26 -29.74 65.46 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 111.947 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.39 -28.26 68.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.19 -24.37 18.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.565 1.546 . . . . 10.0 114.14 175.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 0.89 13.47 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.433 1.493 . . . . 10.0 114.396 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.25 145.32 55.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.508 0.723 . . . . 10.0 109.814 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -63.28 -24.0 67.67 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.177 -0.952 . . . . 10.0 112.608 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -68.77 -17.51 64.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.519 1.527 . . . . 10.0 114.077 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 19.9 ttt -113.21 -25.89 8.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.986 0.914 . . . . 10.0 113.281 171.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -55.25 -35.41 64.95 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.632 1.56 . . . . 10.0 112.74 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -67.57 -41.82 83.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.046 0.938 . . . . 10.0 112.348 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.9 1.28 . . . . 10.0 111.309 173.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.2 t -57.51 -42.44 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 126.649 1.979 . . . . 10.0 112.022 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.46 94.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.007 . . . . 10.0 112.1 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.462 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.7 -46.84 87.96 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.663 0.665 . . . . 10.0 110.722 170.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.63 85.79 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.172 0.896 . . . . 10.0 112.159 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.68 -44.71 95.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.619 0.768 . . . . 10.0 112.743 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.83 -43.56 98.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.286 1.034 . . . . 10.0 112.198 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.69 -53.56 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.409 1.084 . . . . 10.0 110.475 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -55.5 -45.03 77.08 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.381 0.672 . . . . 10.0 112.307 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.44 74.69 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.131 0.872 . . . . 10.0 114.833 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -84.49 -36.83 21.98 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.821 1.311 . . . . 10.0 111.724 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 34.6 mmt -66.6 -36.76 83.39 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.211 1.004 . . . . 10.0 111.097 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.9 -34.73 70.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.796 1.638 . . . . 10.0 113.348 170.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -89.82 -2.29 58.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.4 m -106.23 11.41 31.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.943 1.297 . . . . 10.0 113.72 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -134.18 129.53 35.92 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.491 1.116 . . . . 10.0 113.418 -170.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -14.28 60.53 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 74.0 p -145.97 161.64 39.62 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.497 1.519 . . . . 10.0 111.905 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -33.79 75.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.833 0.853 . . . . 10.0 112.365 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.25 -44.39 88.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.755 1.222 . . . . 10.0 112.633 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.61 -37.76 85.54 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.402 -0.811 . . . . 10.0 111.844 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.15 -51.68 68.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.092 0.957 . . . . 10.0 111.992 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.2 -45.47 68.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.54 -41.58 90.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.695 0.68 . . . . 10.0 112.006 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.64 -47.81 77.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.429 0.692 . . . . 10.0 112.483 172.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 26.1 mt -57.73 -45.55 85.63 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.511 1.051 . . . . 10.0 111.78 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.09 76.63 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.784 0.834 . . . . 10.0 112.468 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.06 -43.71 98.47 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.815 0.734 . . . . 10.0 110.672 169.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -65.85 -41.23 91.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.565 0.746 . . . . 10.0 111.911 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.6 mt -56.87 -51.81 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.305 0.957 . . . . 10.0 110.178 169.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.89 -49.83 75.39 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.678 0.791 . . . . 10.0 111.958 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -53.66 -55.04 29.49 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.931 0.892 . . . . 10.0 111.258 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . 0.469 HD13 HG12 ' B' ' 611' ' ' ILE . 72.4 mt -61.25 -49.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.311 0.505 . . . . 10.0 109.731 -176.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.45 -44.67 92.9 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.511 -0.743 . . . . 10.0 112.618 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.6 mmpt? -72.14 -41.39 67.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.272 1.029 . . . . 10.0 113.146 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.11 -48.36 82.04 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.994 0.918 . . . . 10.0 111.071 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.85 -52.67 64.73 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.855 0.862 . . . . 10.0 111.201 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.3 -43.67 79.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.596 0.758 . . . . 10.0 112.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.33 -45.16 73.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.256 -0.903 . . . . 10.0 113.055 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -66.13 -29.42 69.72 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 . . . . . 0 N--CA 1.478 0.949 0 C-N-CA 124.861 1.264 . . . . 10.0 112.736 171.522 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 113.123 0.786 . . . . 10.0 113.123 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.3 tp -159.16 77.6 3.04 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.652 1.181 . . . . 10.0 110.189 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.462 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 80.1 Cg_exo -46.53 128.69 12.98 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 125.231 3.954 . . . . 10.0 112.812 173.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.5 p -60.91 -39.56 89.82 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -171.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.88 -34.78 78.54 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.359 -0.838 . . . . 10.0 112.684 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 89.6 mt -76.2 -41.55 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.993 1.317 . . . . 10.0 110.196 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.1 ttt -53.38 -47.46 69.47 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.799 1.24 . . . . 10.0 111.575 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.84 -41.92 71.31 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.832 0.742 . . . . 10.0 112.918 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -65.93 -41.26 91.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.746 0.819 . . . . 10.0 112.254 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.03 -42.87 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.267 -0.896 . . . . 10.0 111.789 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.27 -31.89 73.27 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.044 0.838 . . . . 10.0 112.308 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -71.56 -43.94 65.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.054 0.942 . . . . 10.0 112.286 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -80.01 -47.16 15.37 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -174.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 117.864 2.542 . . . . 10.0 117.864 -169.531 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 119.204 -0.427 . . . . 10.0 112.142 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.27 -45.09 94.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.933 1.293 . . . . 10.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.45 -43.35 99.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.479 0.712 . . . . 10.0 111.647 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.12 -46.34 84.57 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.672 0.789 . . . . 10.0 111.437 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.58 -32.44 73.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.072 2.149 . . . . 10.0 113.583 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.01 -39.79 66.41 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.449 1.022 . . . . 10.0 113.622 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.82 -20.76 48.95 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.949 0.899 . . . . 10.0 113.052 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 58.0 ttm -80.02 -36.94 35.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.203 0.911 . . . . 10.0 110.912 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 73.9 m -51.01 -35.75 35.76 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.307 1.043 . . . . 10.0 111.74 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 27.2 m -50.58 -43.66 56.56 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.008 1.323 . . . . 10.0 113.752 175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 CA--C 1.543 0.69 0 O-C-N 120.933 -1.104 . . . . 10.0 111.464 -178.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.392 0 N-CA-C 115.528 0.971 . . . . 10.0 115.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -127.21 -10.89 5.85 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.66 1.726 . . . . 10.0 115.66 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -66.68 -24.76 66.31 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.314 -0.866 . . . . 10.0 113.284 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -18.11 63.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -94.26 -17.07 23.03 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.272 1.429 . . . . 10.0 112.874 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.52 150.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.337 1.455 . . . . 10.0 111.148 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 52.0 p -127.43 155.78 43.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.165 1.386 . . . . 10.0 110.583 171.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -58.88 -40.33 84.09 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.645 -0.66 . . . . 10.0 111.555 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.49 -35.1 79.34 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.31 -47.94 83.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.086 0.555 . . . . 10.0 111.358 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -59.48 -50.37 74.2 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.816 0.846 . . . . 10.0 111.257 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.7 m -56.21 -51.6 67.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.414 1.085 . . . . 10.0 112.927 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.45 -41.68 84.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.927 0.491 . . . . 10.0 111.472 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.23 -38.57 88.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 117.489 -1.243 . . . . 10.0 112.863 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.31 -49.86 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.64 1.564 . . . . 10.0 110.541 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -61.68 -48.17 82.03 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -68.02 -26.88 66.11 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.599 -0.688 . . . . 10.0 112.705 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.5 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.1 tp -58.2 -55.45 34.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 168.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.22 -46.14 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.442 1.097 . . . . 10.0 112.192 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -58.65 -40.74 84.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.21 57.09 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.689 -0.632 . . . . 10.0 111.896 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.02 -46.14 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.878 1.271 . . . . 10.0 111.165 -175.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -144.6 104.86 4.6 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 123.828 0.851 . . . . 10.0 109.251 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -58.18 -10.84 8.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 124.497 3.465 . . . . 10.0 116.757 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 70.3 p 61.1 148.28 0.08 OUTLIER Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 129.436 3.095 . . . . 10.0 115.836 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 -34.53 9.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.925 2.417 . . . . 10.0 112.347 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -156.32 158.91 31.7 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.168 2.587 . . . . 10.0 109.165 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.19 -16.21 39.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.684 2.256 . . . . 10.0 113.402 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.54 71.41 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.309 -0.87 . . . . 10.0 112.284 169.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.63 58.62 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.571 0.952 . . . . 10.0 113.571 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 74.3 mt -56.62 -21.72 29.05 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.483 1.513 . . . . 10.0 113.539 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -121.56 14.65 11.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.153 1.781 . . . . 10.0 113.945 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.59 143.97 48.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.163 0.985 . . . . 10.0 111.641 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -11.57 2.48 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.791 2.145 . . . . 10.0 116.791 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -107.43 -20.69 13.18 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.716 1.606 . . . . 10.0 113.004 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.35 -34.71 78.78 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.393 0.997 . . . . 10.0 110.227 169.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -52.57 -37.71 58.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.91 1.284 . . . . 10.0 114.185 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.18 -40.95 82.11 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.572 -0.705 . . . . 10.0 111.294 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.0 -36.68 80.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.811 0.845 . . . . 10.0 112.47 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.01 -42.65 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.807 1.643 . . . . 10.0 111.294 173.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.81 93.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.241 -0.912 . . . . 10.0 112.257 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -59.01 -46.16 88.88 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.078 0.951 . . . . 10.0 112.061 170.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.9 99.36 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.403 -0.811 . . . . 10.0 111.838 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.23 -42.37 99.25 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.33 0.968 . . . . 10.0 112.715 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.66 -48.29 77.81 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.91 1.284 . . . . 10.0 111.975 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.67 -49.75 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.102 0.961 . . . . 10.0 110.187 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.03 -44.75 83.21 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.127 0.876 . . . . 10.0 112.59 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.06 83.56 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.876 0.75 . . . . 10.0 114.025 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.77 -40.52 63.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.753 1.276 . . . . 10.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.9 mmt -66.85 -35.15 79.38 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.335 1.054 . . . . 10.0 111.502 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -64.16 -50.88 66.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.361 1.464 . . . . 10.0 112.551 171.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.78 -25.65 67.35 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.6 m -78.15 -7.29 56.86 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.57 140.66 37.23 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.751 1.019 . . . . 10.0 113.751 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -90.97 -11.14 39.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.206 1.802 . . . . 10.0 112.335 174.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.9 p -149.49 162.41 40.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.403 1.481 . . . . 10.0 112.837 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -57.16 -40.96 78.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.293 1.037 . . . . 10.0 112.103 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.62 -43.85 95.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.677 1.191 . . . . 10.0 112.461 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.46 -37.64 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.399 -0.813 . . . . 10.0 112.187 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.41 -54.93 41.42 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.281 1.032 . . . . 10.0 111.794 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.03 -47.87 53.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.863 0.865 . . . . 10.0 112.262 169.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -64.99 -41.68 95.19 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.325 -0.859 . . . . 10.0 112.188 -176.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.1 -42.91 99.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.45 1.1 . . . . 10.0 112.189 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.4 -52.95 63.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.622 0.646 . . . . 10.0 111.571 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.99 76.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.37 -48.06 74.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.19 -0.944 . . . . 10.0 112.428 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -68.47 -30.07 68.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.215 -0.928 . . . . 10.0 111.443 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.3 mm -62.73 -48.49 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.389 1.076 . . . . 10.0 111.586 169.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.84 -47.33 85.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.578 0.751 . . . . 10.0 111.603 172.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -54.5 24.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.545 1.538 . . . . 10.0 111.907 176.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.33 -50.22 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.042 1.337 . . . . 10.0 110.987 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.27 -46.46 86.71 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.967 0.507 . . . . 10.0 112.057 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.73 62.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.567 1.147 . . . . 10.0 113.267 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -63.88 -39.96 95.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.93 0.492 . . . . 10.0 112.29 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.86 -40.09 9.9 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.61 -44.15 76.77 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.335 0.971 . . . . 10.0 113.368 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.27 -21.42 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.576 -1.327 . . . . 10.0 113.665 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -90.38 -10.55 43.53 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.809 1.244 . . . . 10.0 113.349 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 N--CA 1.484 1.264 0 C-N-CA 126.24 1.816 . . . . 10.0 113.659 -170.214 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 29.6 mm . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.2 tp -123.43 86.1 52.23 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 127.119 2.168 . . . . 10.0 109.933 -173.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.44 137.95 24.66 Favored 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 125.497 4.131 . . . . 10.0 113.715 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 34.6 p -58.21 -37.63 75.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.58 -37.07 84.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.631 0.772 . . . . 10.0 112.851 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.52 -43.46 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 10.0 110.25 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 42.3 ttp -54.37 -48.73 71.16 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.741 1.217 . . . . 10.0 111.528 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -53.23 -38.31 62.82 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.35 -42.33 96.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.726 -0.609 . . . . 10.0 112.255 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 11.3 t -69.18 -44.41 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.619 0.768 . . . . 10.0 110.938 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 44.1 mt -59.12 -43.06 91.93 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.345 0.975 . . . . 10.0 112.511 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -67.96 -41.07 82.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.888 0.875 . . . . 10.0 112.905 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -80.12 -35.16 37.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -175.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 49.7 p . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 120.632 3.567 . . . . 10.0 120.632 -169.446 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.38 -56.3 21.66 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.606 1.162 . . . . 10.0 112.013 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.07 -38.64 86.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.516 0.598 . . . . 10.0 112.099 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.18 -42.23 90.32 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.091 0.859 . . . . 10.0 111.627 174.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.15 -29.01 67.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.881 1.273 . . . . 10.0 113.706 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 53.1 mt -53.92 -40.8 67.03 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.042 1.292 . . . . 10.0 112.755 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.44 -45.71 24.88 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 171.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.5 mtm -64.1 -26.03 68.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 98.6 p -66.7 -19.96 65.87 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -53.04 -28.67 25.59 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.598 1.703 . . . . 10.0 115.598 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.473 0.704 0 O-C-N 120.811 -1.181 . . . . 10.0 113.863 177.039 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.247 0 N-CA-C 114.612 0.605 . . . . 10.0 114.612 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -62.57 -13.87 36.0 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.699 1.74 . . . . 10.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.91 -23.3 66.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.226 1.41 . . . . 10.0 114.013 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.05 -16.18 40.77 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.677 1.362 . . . . 10.0 114.677 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -94.79 13.94 22.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.33 1.452 . . . . 10.0 113.372 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.03 147.09 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.763 1.625 . . . . 10.0 110.353 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 97.7 m -135.59 153.47 51.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.295 1.838 . . . . 10.0 110.166 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -51.13 -42.75 60.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.41 -39.49 67.33 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.98 0.809 . . . . 10.0 112.891 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 42.2 tp -68.67 -47.83 65.5 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.242 0.617 . . . . 10.0 111.07 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -52.24 -51.61 57.33 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.364 1.066 . . . . 10.0 112.243 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.6 m -55.25 -47.01 76.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.105 1.362 . . . . 10.0 112.383 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -69.28 -43.81 73.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.553 0.741 . . . . 10.0 111.874 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.84 -35.69 81.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.392 0.996 . . . . 10.0 112.862 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.19 -51.73 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.323 0.965 . . . . 10.0 110.69 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -61.9 -38.13 87.21 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.737 -0.602 . . . . 10.0 112.297 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -66.65 -34.25 77.46 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.69 1.196 . . . . 10.0 112.549 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.15 66.68 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.113 0.965 . . . . 10.0 108.97 168.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.77 -46.39 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.726 1.21 . . . . 10.0 113.265 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -60.88 -37.46 82.26 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.4 -28.83 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . 0.428 HG12 HG21 ' B' ' 660' ' ' ILE . 83.6 mt -74.87 -49.94 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.395 1.078 . . . . 10.0 110.254 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 1.1 t80 -140.4 100.09 6.99 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.724 0.809 . . . . 10.0 110.587 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -68.35 93.69 0.42 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.644 2.896 . . . . 10.0 108.804 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 7.7 p -54.75 147.64 30.45 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.613 1.565 . . . . 10.0 114.477 -171.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.89 -32.55 17.83 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.898 2.399 . . . . 10.0 112.394 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -152.73 159.84 31.9 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 127.24 2.216 . . . . 10.0 110.084 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.58 -21.22 39.96 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.854 2.369 . . . . 10.0 112.27 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.53 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.392 -0.818 . . . . 10.0 111.556 169.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.0 85.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.801 0.84 . . . . 10.0 112.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.29 -46.16 91.45 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.169 1.387 . . . . 10.0 112.216 172.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.31 -31.04 65.35 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.636 1.174 . . . . 10.0 113.862 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.38 141.55 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.955 1.302 . . . . 10.0 113.242 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -23.37 6.26 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.118 1.895 . . . . 10.0 116.118 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.0 -33.62 72.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.499 1.045 . . . . 10.0 113.018 172.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.6 tpt -77.87 -34.19 51.73 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.175 0.99 . . . . 10.0 112.002 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.18 -30.22 61.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.39 0.885 . . . . 10.0 113.39 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -61.64 -38.92 89.48 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.599 1.16 . . . . 10.0 112.645 173.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.76 -45.98 40.28 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.04 1.336 . . . . 10.0 111.574 171.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.3 t -55.53 -39.69 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.498 1.119 . . . . 10.0 112.306 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.01 92.38 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.521 1.128 . . . . 10.0 112.54 175.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.509 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.04 -43.45 92.3 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.601 -0.687 . . . . 10.0 110.63 171.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.57 86.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.133 0.879 . . . . 10.0 112.437 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -60.32 -47.66 85.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.309 0.958 . . . . 10.0 112.447 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.53 -45.09 95.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.222 1.009 . . . . 10.0 112.251 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.47 -52.39 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.267 1.027 . . . . 10.0 110.758 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.75 -44.16 69.74 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.364 0.983 . . . . 10.0 112.219 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.94 -32.79 81.95 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.01 0.814 . . . . 10.0 113.95 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.38 -35.94 58.37 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.128 1.464 . . . . 10.0 111.814 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.2 mmt -66.68 -39.64 88.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.908 0.883 . . . . 10.0 110.796 173.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.3 -48.38 75.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.144 1.378 . . . . 10.0 112.892 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -66.63 -20.7 66.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.148 1.166 . . . . 10.0 114.148 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.1 p -104.77 -26.68 12.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.14 130.48 43.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.882 0.873 . . . . 10.0 113.259 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -77.39 -10.47 59.47 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 25.1 p -149.91 163.63 37.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.684 1.194 . . . . 10.0 112.539 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -63.48 -36.47 83.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.104 1.362 . . . . 10.0 113.093 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.33 -44.14 76.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.15 0.98 . . . . 10.0 111.457 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.26 -35.98 82.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.276 0.63 . . . . 10.0 111.831 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.58 -57.06 14.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.651 1.18 . . . . 10.0 112.57 173.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.17 -44.8 71.82 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -58.85 -43.0 90.65 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.505 0.593 . . . . 10.0 112.108 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.29 -43.59 85.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.372 1.069 . . . . 10.0 112.64 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.18 -48.77 75.73 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.348 0.976 . . . . 10.0 111.294 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -36.92 78.05 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.12 -42.83 99.63 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.389 -0.819 . . . . 10.0 111.296 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -41.15 95.43 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.841 -1.076 . . . . 10.0 112.858 174.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.2 mt -53.05 -54.55 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.382 0.992 . . . . 10.0 109.425 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -40.5 68.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.505 -0.759 . . . . 10.0 112.333 -169.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -47.17 63.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.094 0.861 . . . . 10.0 111.646 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . 0.428 HG21 HG12 ' B' ' 611' ' ' ILE . 59.7 mt -59.44 -49.15 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.765 0.426 . . . . 10.0 110.732 173.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -76.46 -49.98 15.25 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -169.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . 0.284 22.1 ptmt -70.63 -17.09 62.88 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 120.665 1.575 . . . . 10.0 113.467 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -78.29 -43.63 27.5 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.615 0.643 . . . . 10.0 110.432 168.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.36 -36.25 77.58 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.038 -1.039 . . . . 10.0 112.995 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.1 -22.36 39.02 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.011 0.924 . . . . 10.0 113.41 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.26 -47.2 7.33 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.56 1.144 . . . . 10.0 112.183 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -70.0 -8.58 50.24 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? . . . . . 0 N--CA 1.483 1.184 0 C-N-CA 126.691 1.996 . . . . 10.0 112.998 170.454 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 37.2 mm . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.5 tp -147.7 84.41 7.05 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 125.894 1.677 . . . . 10.0 107.986 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.509 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 39.4 Cg_exo -48.11 6.25 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.135 2 C-N-CA 129.423 6.749 . . . . 10.0 122.719 -169.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 25.4 m 65.31 -50.02 0.36 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.387 2.275 . . . . 10.0 115.392 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.33 -46.38 73.66 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.923 -1.111 . . . . 10.0 111.792 174.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.59 -35.3 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 122.904 0.482 . . . . 10.0 110.431 170.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 26.1 ttt -55.75 -49.96 71.68 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.221 0.919 . . . . 10.0 111.468 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.74 -42.04 71.14 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 10.0 112.918 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.38 -47.86 83.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.429 1.092 . . . . 10.0 112.515 172.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.32 -43.44 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.472 1.033 . . . . 10.0 111.035 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.79 -36.11 82.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.064 0.847 . . . . 10.0 112.647 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.83 -40.04 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.195 0.998 . . . . 10.0 112.977 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . 0.438 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 40.3 m-80 -79.98 -36.13 36.49 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.116 1.525 . . . . 10.0 115.116 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 117.343 2.349 . . . . 10.0 117.343 -171.293 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 119.133 -0.461 . . . . 10.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -55.58 -46.34 77.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.206 1.402 . . . . 10.0 112.841 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.86 -44.47 80.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.637 0.775 . . . . 10.0 112.217 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.08 -42.07 80.96 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.641 -0.662 . . . . 10.0 111.609 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.2 tp -71.5 -26.3 62.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.524 1.93 . . . . 10.0 112.876 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -42.05 60.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.183 1.393 . . . . 10.0 113.164 -178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.72 -54.9 15.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.689 1.196 . . . . 10.0 111.62 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 40.9 ttm -58.73 -31.99 68.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.631 1.173 . . . . 10.0 114.111 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.7 m -61.92 -19.86 63.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.838 1.655 . . . . 10.0 114.686 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 44.6 m -55.6 -23.05 25.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.106 1.362 . . . . 10.0 114.255 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.476 0.86 0 CA-C-N 119.93 1.241 . . . . 10.0 113.675 172.845 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.303 0 N-CA-C 114.422 0.529 . . . . 10.0 114.422 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -118.43 -5.09 10.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.991 1.316 . . . . 10.0 114.049 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.59 -22.9 66.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.732 1.213 . . . . 10.0 111.981 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -60.53 -19.28 56.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.265 2.226 . . . . 10.0 113.586 173.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -90.33 6.81 41.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.059 1.344 . . . . 10.0 113.247 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.81 160.4 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.655 1.982 . . . . 10.0 110.322 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.7 t -146.23 157.55 43.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.987 1.315 . . . . 10.0 111.401 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -57.54 -34.38 69.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.713 1.205 . . . . 10.0 113.261 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.34 -36.17 82.8 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.473 -0.767 . . . . 10.0 112.354 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.51 -48.97 62.99 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 118.951 -0.547 . . . . 10.0 110.538 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -51.81 -47.34 64.32 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.47 0.708 . . . . 10.0 111.675 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 52.9 m -58.22 -50.74 72.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.003 1.321 . . . . 10.0 112.632 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.87 -38.23 82.82 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.945 -0.472 . . . . 10.0 111.832 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.93 -40.12 94.41 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.888 -1.133 . . . . 10.0 111.936 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.79 -48.52 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.939 1.245 . . . . 10.0 110.964 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -57.63 -40.97 80.4 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -70.97 -36.11 72.4 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.992 0.917 . . . . 10.0 112.895 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' B' ' 657' ' ' ILE . 2.4 tp -59.39 -52.79 64.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.588 1.155 . . . . 10.0 110.045 172.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.53 -47.81 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.015 1.726 . . . . 10.0 113.104 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.74 -30.93 69.66 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.1 73.74 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.038 0.835 . . . . 10.0 111.878 171.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 57.8 mt -64.05 -51.38 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.049 0.94 . . . . 10.0 110.96 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -146.14 104.46 4.11 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.756 0.823 . . . . 10.0 110.733 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.7 -12.55 21.98 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.265 3.31 . . . . 10.0 116.575 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 66.5 p 64.13 147.84 0.1 OUTLIER Pre-proline 0 N--CA 1.484 1.228 0 C-N-CA 129.085 2.954 . . . . 10.0 115.198 -169.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.08 -34.0 10.91 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.785 2.323 . . . . 10.0 112.353 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -157.09 159.49 31.14 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 128.245 2.618 . . . . 10.0 109.065 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.29 -18.9 44.59 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.771 2.314 . . . . 10.0 113.19 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.59 73.68 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.625 0.77 . . . . 10.0 112.721 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -70.79 -21.21 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.95 -27.98 67.25 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.535 1.134 . . . . 10.0 112.972 170.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -78.02 -17.0 57.61 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.138 1.375 . . . . 10.0 113.832 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.25 143.83 57.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.904 0.882 . . . . 10.0 112.82 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -63.55 -29.87 71.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.003 0.921 . . . . 10.0 113.036 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -73.26 -32.12 64.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.377 0.671 . . . . 10.0 112.65 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -70.11 -36.75 75.08 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.061 0.846 . . . . 10.0 111.038 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.42 -38.35 86.79 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.326 1.05 . . . . 10.0 112.656 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -66.2 -40.24 90.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.158 -0.964 . . . . 10.0 112.284 171.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.03 -45.13 94.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.932 0.893 . . . . 10.0 111.67 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.5 t -54.73 -45.06 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.896 1.678 . . . . 10.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.27 -39.43 86.08 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.184 0.994 . . . . 10.0 112.993 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -59.89 -43.78 94.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.251 1.02 . . . . 10.0 111.559 170.261 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.96 95.85 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.292 -0.88 . . . . 10.0 112.249 173.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.4 -45.22 95.25 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.734 1.152 . . . . 10.0 112.49 171.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -47.98 82.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.151 . . . . 10.0 111.905 177.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.06 -40.77 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.735 -0.65 . . . . 10.0 111.71 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.1 -49.51 68.97 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.011 1.278 . . . . 10.0 111.225 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.21 -38.59 94.72 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.547 0.594 . . . . 10.0 113.884 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.4 -35.8 78.21 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.806 1.303 . . . . 10.0 112.34 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.79 -39.62 69.76 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.27 . . . . 10.0 110.925 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.38 -38.8 91.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.484 1.514 . . . . 10.0 112.551 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -79.76 5.27 13.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.329 1.452 . . . . 10.0 114.198 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.8 m -120.83 14.51 11.65 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.608 1.563 . . . . 10.0 113.444 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -131.26 150.33 52.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.643 1.177 . . . . 10.0 113.329 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -103.98 -3.22 24.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.827 1.651 . . . . 10.0 112.611 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 63.4 p -154.22 161.75 41.63 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 126.507 1.923 . . . . 10.0 110.102 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -27.38 68.66 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 175.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -71.21 -37.33 72.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.795 0.838 . . . . 10.0 112.027 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.69 -39.43 84.41 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.456 -0.778 . . . . 10.0 111.526 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.49 -52.5 65.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.927 0.891 . . . . 10.0 111.704 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -49.19 -47.8 45.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.59 -42.92 99.85 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.509 0.595 . . . . 10.0 112.322 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.27 -42.89 96.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.554 0.742 . . . . 10.0 112.741 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.4 mt -55.74 -54.15 47.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.644 0.656 . . . . 10.0 110.458 170.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -28.67 66.68 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.498 0.925 . . . . 10.0 113.498 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -67.71 -41.8 82.99 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.456 1.025 . . . . 10.0 111.877 171.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -34.74 78.52 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.277 -0.889 . . . . 10.0 111.645 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.511 HD11 ' HG ' ' B' ' 607' ' ' LEU . 22.0 mm -64.42 -45.64 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.391 1.077 . . . . 10.0 111.884 170.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -55.93 -48.98 74.74 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.089 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -53.4 -58.13 8.2 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.298 0.954 . . . . 10.0 111.644 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.98 -48.81 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.602 0.637 . . . . 10.0 111.185 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.54 -52.51 63.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.205 0.602 . . . . 10.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -36.36 78.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.096 0.958 . . . . 10.0 112.485 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -69.68 -49.54 52.53 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.051 0.54 . . . . 10.0 111.997 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.57 -32.63 74.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.996 1.271 . . . . 10.0 112.472 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -60.54 -6.87 1.81 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.356 1.613 . . . . 10.0 115.356 169.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -122.86 -36.57 2.86 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.982 1.265 . . . . 10.0 113.711 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -63.83 -11.44 27.22 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.939 1.296 . . . . 10.0 114.07 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 126.527 1.931 . . . . 10.0 113.044 172.441 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.647 0.737 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.8 tp -146.15 76.89 12.17 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.246 2.218 . . . . 10.0 108.384 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 32.3 Cg_exo -42.86 136.87 4.56 Favored 'Trans proline' 0 C--N 1.353 0.791 1 C-N-CA 126.395 4.73 . . . . 10.0 114.29 178.674 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 19.7 m -51.08 -40.01 57.39 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.752 . . . . 10.0 115.729 -169.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.19 -27.2 60.7 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.85 -42.6 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 169.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 49.7 ttp -52.95 -54.28 37.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.647 0.779 . . . . 10.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.43 -42.29 70.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.415 1.086 . . . . 10.0 112.844 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -61.95 -47.02 86.73 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.247 1.019 . . . . 10.0 112.341 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.65 -44.18 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.238 0.926 . . . . 10.0 111.159 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.51 -34.52 78.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.154 0.888 . . . . 10.0 113.056 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.99 42.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.8 -47.73 20.66 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 -170.869 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.5 tptt . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.83 -47.75 73.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.732 1.213 . . . . 10.0 112.395 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.05 -43.38 91.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.069 0.948 . . . . 10.0 112.154 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.27 -48.03 68.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.472 0.709 . . . . 10.0 111.446 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.29 -29.47 68.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.982 1.713 . . . . 10.0 113.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.79 -44.05 63.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.708 1.203 . . . . 10.0 113.203 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.33 -20.17 62.22 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.35 0.87 . . . . 10.0 113.35 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 50.2 ttm -80.05 -40.62 27.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.883 0.765 . . . . 10.0 110.172 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -55.29 -27.63 48.05 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.891 1.276 . . . . 10.0 113.271 175.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . 0.435 HG23 ' CD2' ' B' ' 602' ' ' HIS . 52.2 m -46.05 -40.64 10.99 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.781 1.232 . . . . 10.0 113.221 169.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 CA--C 1.542 0.65 0 O-C-N 121.608 -0.683 . . . . 10.0 112.577 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.356 0 N-CA-C 114.645 0.618 . . . . 10.0 114.645 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -132.92 -7.19 3.11 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.727 1.381 . . . . 10.0 114.727 -170.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -61.45 -29.02 69.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.718 1.207 . . . . 10.0 113.144 -170.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -16.33 62.65 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.554 1.942 . . . . 10.0 114.932 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -41.76 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.855 0.862 . . . . 10.0 111.93 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.89 148.9 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 10.0 110.518 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.5 p -111.73 162.02 15.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.145 1.378 . . . . 10.0 111.398 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -57.17 -34.14 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.145 -0.972 . . . . 10.0 113.521 171.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.02 -41.39 86.71 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.708 0.686 . . . . 10.0 111.419 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -47.19 82.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.168 0.587 . . . . 10.0 111.56 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -58.45 -52.15 66.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.574 0.75 . . . . 10.0 111.729 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -53.08 -50.62 64.01 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.789 0.835 . . . . 10.0 113.159 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . 0.435 ' CD2' HG23 ' A' ' 305' ' ' THR . 10.6 t60 -73.14 -38.61 66.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.023 -0.513 . . . . 10.0 112.068 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.08 -35.38 78.49 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.587 -1.196 . . . . 10.0 112.046 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.38 -50.64 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 120.449 1.477 . . . . 10.0 110.709 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -59.24 -44.82 92.34 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -34.46 76.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.562 0.745 . . . . 10.0 112.437 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.64 -53.19 55.45 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.757 0.823 . . . . 10.0 109.875 169.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.82 -46.02 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.068 0.947 . . . . 10.0 112.162 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -63.87 -24.21 67.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -104.7 -25.96 12.48 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.202 0.91 . . . . 10.0 113.297 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.53 -43.43 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 118.807 0.73 . . . . 10.0 109.409 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.7 105.43 6.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.112 0.965 . . . . 10.0 108.776 169.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.19 92.21 0.27 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.496 2.797 . . . . 10.0 110.603 169.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 6.8 t -51.12 140.05 22.95 Favored Pre-proline 0 N--CA 1.473 0.687 0 C-N-CA 126.318 1.847 . . . . 10.0 113.335 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.5 -30.62 14.88 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.97 2.447 . . . . 10.0 111.992 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -150.97 159.93 32.95 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 128.399 2.68 . . . . 10.0 108.304 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.62 -20.92 34.85 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.314 2.009 . . . . 10.0 112.403 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.59 -31.58 72.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.036 0.935 . . . . 10.0 113.138 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.85 -21.9 63.31 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.154 -0.967 . . . . 10.0 113.119 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.31 -26.84 68.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.174 0.99 . . . . 10.0 112.925 169.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.81 -12.9 52.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.283 1.433 . . . . 10.0 113.167 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.08 140.86 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.82 0.848 . . . . 10.0 112.202 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -49.23 -35.57 17.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.381 1.472 . . . . 10.0 114.882 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -74.65 -30.42 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.057 0.943 . . . . 10.0 113.053 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -24.16 67.36 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.467 0.707 . . . . 10.0 112.241 173.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.95 -32.06 67.46 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 10.0 113.734 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -67.75 -40.85 84.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.433 1.015 . . . . 10.0 111.516 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.37 -48.09 74.14 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.506 1.522 . . . . 10.0 111.121 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 30.6 t -55.24 -46.33 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.474 1.91 . . . . 10.0 112.704 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.88 -40.98 87.97 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.101 -0.999 . . . . 10.0 112.106 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -59.52 -44.95 93.02 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.096 0.958 . . . . 10.0 112.031 170.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.45 96.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 10.0 112.132 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.94 -43.33 98.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.572 0.624 . . . . 10.0 112.379 172.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -62.77 -49.54 74.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.031 0.932 . . . . 10.0 111.762 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.26 -42.89 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.642 1.177 . . . . 10.0 111.493 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.52 -43.84 80.19 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.53 1.059 . . . . 10.0 111.842 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.2 -36.35 91.68 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.097 0.856 . . . . 10.0 114.404 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.93 -39.36 72.69 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.282 1.541 . . . . 10.0 111.602 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . 0.404 ' SD ' ' HE3' ' B' ' 656' ' ' LYS . 36.9 mmt -71.98 -35.07 69.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.198 0.999 . . . . 10.0 111.419 178.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -65.08 -45.71 84.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.709 1.604 . . . . 10.0 112.622 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.42 -30.86 71.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.81 1.244 . . . . 10.0 112.673 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.5 m -84.98 -5.89 59.35 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.76 128.23 51.17 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.195 1.183 . . . . 10.0 114.195 -169.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -83.15 -10.01 58.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.796 1.638 . . . . 10.0 113.444 174.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.3 p -148.75 162.99 38.66 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.738 1.215 . . . . 10.0 112.429 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -29.96 70.97 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.178 0.991 . . . . 10.0 113.181 176.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.68 -43.86 65.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.8 0.84 . . . . 10.0 111.494 172.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.62 -33.98 77.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.342 0.657 . . . . 10.0 112.54 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -57.16 -61.4 2.49 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.208 1.403 . . . . 10.0 112.238 172.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -49.95 -46.15 52.04 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -64.51 -41.62 96.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.35 -0.844 . . . . 10.0 112.338 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.87 -44.35 93.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.541 1.136 . . . . 10.0 112.245 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -54.41 -54.5 39.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.733 0.697 . . . . 10.0 110.793 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.87 76.56 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.037 0.755 . . . . 10.0 113.037 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.71 -46.14 69.72 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.911 -1.118 . . . . 10.0 112.612 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . 0.404 ' HE3' ' SD ' ' B' ' 639' ' ' MET . 0.4 OUTLIER -68.53 -26.78 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.804 -1.185 . . . . 10.0 112.239 175.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' B' ' 610' ' ' ALA . 2.6 mm -65.57 -46.93 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 10.0 110.596 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -57.46 -44.66 84.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.357 0.663 . . . . 10.0 111.882 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -54.15 -59.44 4.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.724 1.209 . . . . 10.0 112.02 172.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.93 -44.49 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.018 1.327 . . . . 10.0 111.293 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.99 -60.39 2.88 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.241 0.617 . . . . 10.0 111.381 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -34.85 78.23 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.024 1.12 . . . . 10.0 114.024 -169.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.38 -31.8 73.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.22 0.608 . . . . 10.0 111.992 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.7 mp -87.03 -37.13 17.76 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.33 -47.6 69.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.503 1.502 . . . . 10.0 113.62 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -9.73 54.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.42 -1.425 . . . . 10.0 114.176 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -102.47 -5.74 23.71 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.896 1.678 . . . . 10.0 112.815 172.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? . . . . . 0 N--CA 1.483 1.196 0 C-N-CA 126.887 2.075 . . . . 10.0 113.875 -173.483 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 16.4 mm . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.8 tp -116.71 100.59 53.5 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 125.576 1.55 . . . . 10.0 111.454 -169.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.6 146.72 14.46 Favored 'Trans proline' 0 C--N 1.353 0.794 1 C-N-CA 125.984 4.456 . . . . 10.0 114.77 173.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 61.7 p -61.24 -38.72 87.67 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.989 1.478 . . . . 10.0 114.989 -174.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.34 -40.0 85.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.354 -0.841 . . . . 10.0 112.505 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.46 -42.47 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.585 0.754 . . . . 10.0 109.252 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 56.1 ttm -51.14 -56.22 13.82 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.563 1.145 . . . . 10.0 110.832 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -53.25 -42.09 66.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.17 -43.14 99.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.306 0.642 . . . . 10.0 112.495 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.29 -42.37 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.698 -0.626 . . . . 10.0 111.296 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.37 -44.87 95.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.503 1.047 . . . . 10.0 112.767 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.74 85.85 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.799 0.84 . . . . 10.0 113.092 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -80.09 -40.09 28.27 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.585 1.698 . . . . 10.0 115.585 -175.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 121.499 3.888 . . . . 10.0 121.499 -169.315 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -51.97 -51.48 56.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.479 1.112 . . . . 10.0 112.491 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.84 -39.02 90.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.308 1.443 . . . . 10.0 112.752 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.78 -49.52 72.6 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.65 0.78 . . . . 10.0 110.66 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.54 -28.15 69.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.063 2.145 . . . . 10.0 113.675 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 28.1 mt -48.18 -36.46 13.68 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.238 1.415 . . . . 10.0 114.384 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.07 -27.31 63.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 55.4 ttm -74.37 -41.12 61.53 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.325 1.42 . . . . 10.0 110.863 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 21.5 m -55.1 -19.94 8.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.934 1.694 . . . . 10.0 113.198 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . 0.452 HG23 ' CD2' ' B' ' 602' ' ' HIS . 63.5 m -50.65 -46.84 58.68 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.182 . . . . 10.0 112.78 170.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 N--CA 1.468 0.475 0 CA-C-N 118.963 0.801 . . . . 10.0 111.691 177.85 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.113 0 N-CA-C 114.053 0.381 . . . . 10.0 114.053 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -131.01 -4.89 3.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.957 1.466 . . . . 10.0 114.957 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -69.25 -20.76 63.94 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.798 0.839 . . . . 10.0 112.735 -172.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.56 -16.4 60.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.883 1.273 . . . . 10.0 114.426 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.96 12.4 28.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.988 1.315 . . . . 10.0 112.947 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.68 150.53 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.968 1.707 . . . . 10.0 110.803 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 44.1 p -134.48 161.73 34.22 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.633 1.573 . . . . 10.0 110.728 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.55 -34.17 72.34 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.495 -0.753 . . . . 10.0 112.081 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.15 -33.89 72.35 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.48 -0.763 . . . . 10.0 112.524 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.44 -49.71 74.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.362 0.665 . . . . 10.0 111.18 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -55.86 -48.03 76.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.566 0.746 . . . . 10.0 111.351 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -57.87 -52.21 66.4 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.31 1.044 . . . . 10.0 113.15 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . 0.452 ' CD2' HG23 ' A' ' 305' ' ' THR . 8.8 t60 -70.35 -40.75 73.9 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.118 0.567 . . . . 10.0 111.97 -176.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.88 -45.88 91.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.527 0.603 . . . . 10.0 111.495 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.11 -49.31 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.426 0.69 . . . . 10.0 111.557 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -59.94 -44.15 94.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.301 0.955 . . . . 10.0 112.139 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -66.15 -35.0 79.32 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.557 -0.714 . . . . 10.0 112.565 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -50.37 73.27 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.793 0.837 . . . . 10.0 111.368 169.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.84 -46.4 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.913 1.285 . . . . 10.0 112.17 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -63.29 -41.65 99.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.611 0.765 . . . . 10.0 112.939 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.82 84.94 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.634 -0.667 . . . . 10.0 112.523 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.15 -52.24 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.008 0.923 . . . . 10.0 110.428 175.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . 0.454 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 2.0 t80 -141.0 103.5 6.2 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.941 0.896 . . . . 10.0 110.517 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -58.51 -8.34 5.3 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.927 3.751 . . . . 10.0 117.621 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 22.3 m 69.26 133.04 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 128.078 2.551 . . . . 10.0 113.356 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.454 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 87.8 Cg_endo -87.31 -30.39 0.3 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.88 3.053 . . . . 10.0 113.112 -175.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -157.15 157.33 30.43 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.248 1.819 . . . . 10.0 111.636 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -71.27 -1.06 9.05 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.136 2.557 . . . . 10.0 115.68 -174.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -100.7 -28.25 12.94 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.71 1.141 . . . . 10.0 112.166 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.21 71.91 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.549 1.068 . . . . 10.0 113.277 173.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.97 -9.76 56.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.284 1.587 . . . . 10.0 115.284 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -86.93 -10.28 53.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.957 0.903 . . . . 10.0 113.24 170.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.56 146.87 51.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.636 0.774 . . . . 10.0 112.692 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -38.3 45.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.877 1.671 . . . . 10.0 113.057 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -67.29 -29.87 69.58 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 8.9 tpt -76.46 -32.62 58.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.611 1.096 . . . . 10.0 111.653 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.12 -34.59 76.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.673 -1.267 . . . . 10.0 111.611 169.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -65.98 -42.13 90.23 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.402 -0.812 . . . . 10.0 112.3 169.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -52.56 64.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.128 0.971 . . . . 10.0 110.453 173.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 13.4 t -53.52 -44.87 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.534 1.934 . . . . 10.0 112.436 174.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.19 78.92 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.449 1.099 . . . . 10.0 112.742 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.513 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.12 -45.63 92.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 10.0 111.204 172.074 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.518 0.727 . . . . 10.0 111.692 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.76 -45.06 91.54 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.911 0.778 . . . . 10.0 113.095 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.94 -44.35 94.41 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.638 1.175 . . . . 10.0 112.017 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.07 -40.18 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 118.715 -0.659 . . . . 10.0 111.872 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -39.8 68.26 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.226 1.376 . . . . 10.0 111.822 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.01 76.65 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.153 0.882 . . . . 10.0 113.976 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.22 -33.94 61.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.98 1.39 . . . . 10.0 111.478 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 19.0 mmt -68.54 -38.27 80.68 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.682 0.793 . . . . 10.0 110.792 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -66.14 -48.97 69.04 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.124 1.37 . . . . 10.0 112.591 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.94 -21.02 63.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p -97.72 -30.19 12.95 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.299 1.222 . . . . 10.0 114.299 -175.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.31 143.07 57.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.274 1.029 . . . . 10.0 113.149 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -82.05 -21.36 36.95 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.507 1.123 . . . . 10.0 113.163 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.4 p -142.27 162.21 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.472 1.509 . . . . 10.0 112.61 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.9 ttp-105 -60.2 -37.48 80.37 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.114 0.965 . . . . 10.0 112.47 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.39 -42.74 95.97 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.648 1.179 . . . . 10.0 112.839 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.67 -39.22 84.5 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.239 -0.913 . . . . 10.0 111.93 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.44 -54.74 43.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.354 1.062 . . . . 10.0 111.592 172.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -50.65 -46.25 58.34 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.22 1.008 . . . . 10.0 112.845 170.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -61.65 -42.95 99.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.377 0.99 . . . . 10.0 112.143 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.67 -42.07 99.42 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.064 0.946 . . . . 10.0 112.407 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.0 -45.27 95.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.581 -0.699 . . . . 10.0 112.187 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.55 64.04 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.699 -0.626 . . . . 10.0 112.511 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.049 -1.032 . . . . 10.0 111.219 169.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.26 -41.88 99.1 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.264 -0.874 . . . . 10.0 112.572 173.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 6.9 mm -53.39 -57.32 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.178 0.899 . . . . 10.0 109.037 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -59.21 -57.35 13.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.442 1.097 . . . . 10.0 111.739 -170.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.3 tmtt? -55.32 -51.79 65.58 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.855 0.862 . . . . 10.0 112.26 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.85 -40.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 122.879 0.472 . . . . 10.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.33 -57.5 6.51 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.611 -0.681 . . . . 10.0 112.108 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -67.3 -25.08 65.86 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.84 -59.46 3.85 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.808 0.731 . . . . 10.0 110.621 169.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.46 -42.71 83.06 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.963 0.905 . . . . 10.0 113.091 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -59.34 -18.81 41.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.09 -32.53 6.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.337 1.055 . . . . 10.0 112.709 172.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' B' ' 667' ' ' LYS . 0.0 OUTLIER -68.42 -30.46 69.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.056 -1.028 . . . . 10.0 112.892 -178.079 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 . . . . . 0 N--CA 1.483 1.193 0 C-N-CA 124.257 1.023 . . . . 10.0 111.914 169.375 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 118.33 -0.843 . . . . 10.0 113.267 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.9 tp -134.16 84.57 41.79 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.33 1.452 . . . . 10.0 110.047 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.513 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 45.7 Cg_exo -43.05 134.15 5.81 Favored 'Trans proline' 0 C--N 1.351 0.706 1 C-N-CA 126.445 4.763 . . . . 10.0 114.171 171.691 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 58.2 p -61.57 -36.5 80.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.558 1.318 . . . . 10.0 114.558 -174.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.58 -38.49 91.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.852 0.861 . . . . 10.0 112.4 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.34 -46.94 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 123.476 0.711 . . . . 10.0 109.867 169.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 20.9 ttt -57.45 -48.78 78.24 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.632 0.651 . . . . 10.0 112.426 -173.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.02 -43.05 86.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.247 0.619 . . . . 10.0 112.397 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.47 -46.6 89.35 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.911 0.885 . . . . 10.0 111.84 171.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.307 -0.871 . . . . 10.0 112.274 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.27 -43.09 71.21 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.527 1.512 . . . . 10.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.93 -27.38 67.44 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -175.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.11 -47.71 60.63 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.54 1.681 . . . . 10.0 115.54 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 117.98 2.585 . . . . 10.0 117.98 -169.561 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.0 tptm . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 112.189 0.441 . . . . 10.0 112.189 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.48 -46.66 83.47 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.982 0.913 . . . . 10.0 112.675 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.54 -43.49 93.47 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.419 1.088 . . . . 10.0 111.874 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.34 -45.06 77.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.601 0.76 . . . . 10.0 111.828 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 51.0 tp -72.99 -28.04 62.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.669 1.587 . . . . 10.0 113.785 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.49 -45.28 66.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.832 1.253 . . . . 10.0 112.843 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.72 -56.15 17.86 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.852 0.861 . . . . 10.0 111.377 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.16 -25.4 65.5 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 70.2 m -65.6 -19.73 66.03 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.75 1.389 . . . . 10.0 114.75 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 49.8 m -54.75 -42.35 71.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -177.116 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 N-CA-C 114.721 0.648 . . . . 10.0 114.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -62.37 -15.58 49.43 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.795 1.238 . . . . 10.0 114.177 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -57.88 -26.41 62.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.999 1.72 . . . . 10.0 112.568 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.26 -22.23 64.64 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.101 1.36 . . . . 10.0 113.958 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -81.66 -2.29 49.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 90.5 t -117.57 151.63 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.304 1.441 . . . . 10.0 111.5 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.0 p -130.84 158.64 39.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.909 1.684 . . . . 10.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.05 -31.16 68.61 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.619 -0.676 . . . . 10.0 112.582 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.2 -41.55 94.42 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.508 -0.745 . . . . 10.0 112.342 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.75 -52.6 62.58 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 119.186 -0.435 . . . . 10.0 110.744 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -52.31 -46.61 66.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.721 0.808 . . . . 10.0 112.097 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -50.55 73.51 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.542 1.137 . . . . 10.0 112.555 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -67.15 -41.14 86.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.013 0.525 . . . . 10.0 111.654 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.07 -40.43 96.24 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.228 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.9 t -58.7 -49.38 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.056 1.298 . . . . 10.0 111.259 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -59.41 -41.24 89.0 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.883 0.765 . . . . 10.0 112.251 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -70.1 -30.08 67.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.1 0.96 . . . . 10.0 113.279 176.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' B' ' 657' ' ' ILE . 2.7 tp -62.69 -52.87 61.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.062 0.945 . . . . 10.0 109.059 169.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.03 -49.66 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.317 1.447 . . . . 10.0 112.82 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -63.75 -32.11 73.5 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -175.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.469 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -83.5 -24.25 31.8 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.477 1.035 . . . . 10.0 112.849 176.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.58 -51.47 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 123.645 0.778 . . . . 10.0 109.789 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -144.83 114.63 5.07 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.688 0.795 . . . . 10.0 110.364 171.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -57.51 -11.09 7.97 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.375 3.383 . . . . 10.0 117.024 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 77.11 148.07 0.12 Allowed Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 127.986 2.514 . . . . 10.0 112.265 -172.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.45 -41.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.001 2.468 . . . . 10.0 112.144 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -157.18 154.7 26.6 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 128.694 2.798 . . . . 10.0 108.558 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.82 -18.96 31.63 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.731 2.288 . . . . 10.0 113.992 -170.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.98 70.16 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.509 -0.744 . . . . 10.0 112.886 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.84 75.13 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.476 -0.765 . . . . 10.0 112.681 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.24 -18.79 17.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.444 1.498 . . . . 10.0 114.322 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -119.01 17.01 13.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.035 1.734 . . . . 10.0 113.702 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.0 143.28 32.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.214 1.406 . . . . 10.0 111.053 174.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -48.19 -37.12 15.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.225 1.565 . . . . 10.0 115.225 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -41.28 75.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.678 1.191 . . . . 10.0 112.093 176.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.1 tpt -84.67 -32.19 23.75 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.304 0.642 . . . . 10.0 112.363 176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.36 -32.95 69.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.821 1.191 . . . . 10.0 113.142 171.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -64.82 -42.38 95.02 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.547 -0.72 . . . . 10.0 112.446 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.12 -44.75 87.7 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.456 0.703 . . . . 10.0 111.611 173.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 26.6 t -55.82 -44.8 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.774 1.63 . . . . 10.0 112.094 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.15 92.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.374 1.07 . . . . 10.0 112.366 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.535 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.8 OUTLIER -60.24 -45.4 93.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.972 0.909 . . . . 10.0 111.93 170.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.49 95.16 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.174 -0.954 . . . . 10.0 111.892 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.07 -43.03 99.51 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 119.199 0.909 . . . . 10.0 112.446 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.16 -46.88 88.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.429 1.092 . . . . 10.0 111.988 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.41 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 10.0 110.958 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -56.44 -44.47 80.5 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.926 0.89 . . . . 10.0 112.362 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.14 -31.81 80.4 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.004 0.812 . . . . 10.0 114.083 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.28 -37.16 61.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.558 1.179 . . . . 10.0 111.635 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.3 mmt -68.83 -39.63 79.89 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.156 0.982 . . . . 10.0 111.184 174.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -59.4 -48.76 80.39 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.271 1.429 . . . . 10.0 112.531 171.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.48 -28.47 69.23 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.4 m -79.98 -30.36 39.72 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.73 136.85 40.33 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.609 1.337 . . . . 10.0 114.609 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.29 -23.33 62.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.674 1.589 . . . . 10.0 113.739 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.8 p -154.46 166.16 34.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.837 1.255 . . . . 10.0 112.907 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -40.52 66.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.338 1.455 . . . . 10.0 112.846 171.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -43.18 70.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.44 0.696 . . . . 10.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.91 -35.93 81.97 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.725 -0.609 . . . . 10.0 112.062 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -59.02 -56.85 16.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.896 1.278 . . . . 10.0 112.035 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.3 -44.98 65.36 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -59.7 -44.53 93.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.62 0.646 . . . . 10.0 111.839 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.45 -44.62 95.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.404 1.082 . . . . 10.0 112.594 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 40.9 mt -59.65 -54.78 42.44 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.721 0.691 . . . . 10.0 111.334 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.8 76.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.083 0.953 . . . . 10.0 112.918 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.14 -44.86 82.98 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.182 -0.949 . . . . 10.0 112.32 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . 0.412 ' HG2' HG21 ' C' ' 844' ' ' ILE . 12.3 mptt -73.69 -27.94 61.48 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.142 0.883 . . . . 10.0 112.147 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.6 mm -61.85 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.14 0.976 . . . . 10.0 110.122 168.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -56.88 -49.46 75.46 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.998 0.919 . . . . 10.0 111.138 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -52.41 -54.75 28.0 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.693 1.133 . . . . 10.0 112.935 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 66.3 mt -56.17 -43.73 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.019 0.928 . . . . 10.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -74.81 -48.85 23.1 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.897 -0.502 . . . . 10.0 112.259 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -61.77 -30.22 70.65 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.35 1.86 . . . . 10.0 113.1 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.28 -53.74 10.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.491 0.716 . . . . 10.0 111.608 171.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.41 -36.76 84.81 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.78 1.03 . . . . 10.0 113.78 -175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.21 -10.38 10.5 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.725 1.38 . . . . 10.0 114.725 173.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -109.47 -45.1 3.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.798 1.239 . . . . 10.0 111.813 172.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.05 -6.49 6.45 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.984 1.476 . . . . 10.0 114.984 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 N--CA 1.483 1.188 0 C-N-CA 126.152 1.781 . . . . 10.0 113.341 171.188 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . 0.412 HG21 ' HG2' ' B' ' 656' ' ' LYS . 22.6 mt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.682 0.277 . . . . 10.0 111.705 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.6 tp -130.92 78.95 72.59 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 127.288 2.235 . . . . 10.0 107.94 169.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.535 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 46.7 Cg_exo -45.31 137.0 11.01 Favored 'Trans proline' 0 C--N 1.353 0.782 1 C-N-CA 126.135 4.557 . . . . 10.0 114.256 177.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -36.63 65.85 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -172.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.54 -37.3 84.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.861 0.865 . . . . 10.0 113.259 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.14 -41.95 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.036 0.535 . . . . 10.0 109.828 170.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.44 -48.66 68.61 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.471 0.708 . . . . 10.0 111.884 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.86 -40.34 69.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.041 0.937 . . . . 10.0 113.25 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -62.53 -52.53 63.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.741 0.817 . . . . 10.0 111.033 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.9 t -55.2 -43.81 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.012 0.823 . . . . 10.0 111.847 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.0 -41.67 95.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.493 0.717 . . . . 10.0 112.747 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -69.29 -39.24 78.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.009 0.924 . . . . 10.0 112.615 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.65 -51.64 53.97 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 62.1 p . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 116.249 1.944 . . . . 10.0 116.249 -169.595 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.8 tptt . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 119.35 -0.357 . . . . 10.0 111.601 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.92 -47.41 77.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.32 1.448 . . . . 10.0 112.724 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.11 -43.04 99.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.441 1.096 . . . . 10.0 112.061 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.48 -46.39 76.49 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.398 0.679 . . . . 10.0 111.134 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.55 -24.7 67.92 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.697 2.399 . . . . 10.0 113.838 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.83 -35.28 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.66 -25.63 53.94 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.891 0.768 . . . . 10.0 112.77 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -79.4 -35.52 40.56 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.946 -1.096 . . . . 10.0 110.892 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 56.5 m -52.31 -30.66 29.35 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.106 1.762 . . . . 10.0 112.651 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . 0.402 HG23 ' CD2' ' B' ' 602' ' ' HIS . 53.9 m -45.97 -40.66 10.69 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.019 1.728 . . . . 10.0 113.806 171.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 CA--C 1.541 0.629 0 O-C-N 121.167 -0.958 . . . . 10.0 113.167 179.378 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.155 0 N-CA-C 115.486 0.954 . . . . 10.0 115.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -60.54 -22.19 63.37 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.239 1.2 . . . . 10.0 114.239 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -53.44 -31.5 45.67 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.519 1.928 . . . . 10.0 113.771 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.71 -12.25 60.12 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.933 1.293 . . . . 10.0 114.086 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -95.14 9.95 37.71 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.137 1.375 . . . . 10.0 113.841 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.79 107.32 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.048 1.339 . . . . 10.0 109.419 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.9 p -71.14 159.12 35.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.849 0.86 . . . . 10.0 111.992 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.1 -32.84 72.51 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.662 -0.649 . . . . 10.0 112.077 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.65 -46.0 84.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.032 0.933 . . . . 10.0 111.886 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.03 -47.39 86.06 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.343 0.657 . . . . 10.0 110.821 174.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -54.71 -51.31 65.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.73 1.212 . . . . 10.0 112.62 175.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.6 m -59.12 -50.68 73.14 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.279 1.032 . . . . 10.0 112.01 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . 0.402 ' CD2' HG23 ' A' ' 305' ' ' THR . 5.4 t60 -69.3 -43.32 74.03 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.813 -0.613 . . . . 10.0 111.558 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.65 -40.89 96.5 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.803 1.183 . . . . 10.0 112.811 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.61 -50.12 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 119.457 1.026 . . . . 10.0 110.778 171.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.34 -42.03 99.06 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.856 0.753 . . . . 10.0 112.836 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -58.26 -44.37 88.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.747 1.219 . . . . 10.0 111.432 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -49.58 76.57 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.519 0.728 . . . . 10.0 111.318 175.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.67 -45.68 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.935 0.894 . . . . 10.0 112.067 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -68.05 -38.44 82.48 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -69.36 -25.03 63.98 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.128 0.876 . . . . 10.0 113.293 174.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mt -73.04 -52.51 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.77 0.714 . . . . 10.0 109.388 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.38 106.74 5.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.351 1.06 . . . . 10.0 111.646 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.54 93.48 0.25 Allowed 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 124.059 3.173 . . . . 10.0 110.522 169.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 2.8 p -56.24 139.11 73.4 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 10.0 113.315 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.58 -29.53 19.84 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.902 2.401 . . . . 10.0 113.547 -172.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.77 167.78 13.79 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.924 1.69 . . . . 10.0 111.744 -173.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.12 -17.22 31.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.558 2.172 . . . . 10.0 114.744 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.73 -35.91 57.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.269 1.395 . . . . 10.0 111.81 169.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.79 69.52 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.754 1.02 . . . . 10.0 113.754 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 61.5 mt -51.62 -25.24 6.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.989 1.716 . . . . 10.0 114.373 171.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -125.57 17.77 8.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.891 1.676 . . . . 10.0 113.529 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.33 146.95 37.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.329 0.652 . . . . 10.0 110.622 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -29.33 20.37 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -90.34 -28.04 18.99 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.134 0.974 . . . . 10.0 112.923 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.49 -39.58 88.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.295 0.952 . . . . 10.0 111.923 171.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -56.9 -39.06 73.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 10.0 112.462 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.27 -39.8 82.05 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.577 -0.702 . . . . 10.0 111.902 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.85 -47.64 84.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.632 0.773 . . . . 10.0 111.543 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 9.9 t -54.72 -43.66 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.847 1.659 . . . . 10.0 111.922 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.14 74.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.607 1.163 . . . . 10.0 112.908 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.486 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.24 -44.37 97.36 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.532 -0.73 . . . . 10.0 111.121 173.522 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.01 89.39 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.755 0.822 . . . . 10.0 111.642 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.6 -43.81 93.6 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.904 0.774 . . . . 10.0 112.801 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.21 -50.9 69.95 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.562 1.145 . . . . 10.0 112.27 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.73 -32.03 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 118.865 -0.588 . . . . 10.0 112.101 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.54 -42.6 71.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.89 1.223 . . . . 10.0 111.332 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -69.95 -31.57 69.77 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.398 0.999 . . . . 10.0 114.481 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.33 -41.38 69.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.714 1.257 . . . . 10.0 111.571 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.4 mmt -66.84 -40.14 87.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.666 1.186 . . . . 10.0 111.56 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.17 -49.3 78.38 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.22 1.408 . . . . 10.0 112.606 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.5 -30.66 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.375 -0.828 . . . . 10.0 112.834 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.0 m -81.76 -17.36 47.98 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 -174.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.31 142.68 27.71 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.071 0.948 . . . . 10.0 113.272 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -89.18 -4.78 58.12 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.615 1.166 . . . . 10.0 113.958 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 53.7 p -151.94 163.39 39.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.13 1.372 . . . . 10.0 112.229 173.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -61.49 -39.96 92.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.099 0.96 . . . . 10.0 112.674 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.33 -42.29 96.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.778 0.831 . . . . 10.0 112.078 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.36 -36.79 83.79 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.593 -0.692 . . . . 10.0 112.249 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -54.88 42.0 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.797 0.839 . . . . 10.0 111.719 172.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -53.63 -44.59 69.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.247 0.476 . . . . 10.0 112.177 171.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.87 -40.94 99.04 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.425 -0.797 . . . . 10.0 112.361 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.52 -42.24 98.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.084 0.954 . . . . 10.0 112.271 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.9 -48.53 81.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.463 0.574 . . . . 10.0 111.754 173.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.15 -28.53 61.36 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.59 -42.32 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.913 -1.117 . . . . 10.0 111.602 170.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -60.36 -33.84 73.01 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.063 0.847 . . . . 10.0 112.105 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' B' ' 610' ' ' ALA . 14.1 mm -68.22 -46.41 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.257 0.935 . . . . 10.0 112.679 173.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -58.47 -48.56 80.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.012 0.824 . . . . 10.0 110.807 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -47.89 -57.98 4.98 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.058 1.743 . . . . 10.0 112.531 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.34 -56.09 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.462 0.705 . . . . 10.0 111.201 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.27 -36.52 69.02 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -66.35 -43.21 86.67 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.822 1.192 . . . . 10.0 112.005 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.51 -41.15 80.37 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.069 0.548 . . . . 10.0 111.893 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.59 -44.64 85.99 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.43 -37.29 72.55 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.543 1.065 . . . . 10.0 112.349 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.32 -42.92 87.81 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.929 -1.107 . . . . 10.0 112.704 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -74.23 -8.22 55.43 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.894 1.278 . . . . 10.0 113.874 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 N--CA 1.483 1.187 0 C-N-CA 125.723 1.609 . . . . 10.0 113.152 179.688 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 11.2 mt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.62 115.38 21.78 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.402 1.481 . . . . 10.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.486 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 72.4 Cg_exo -51.79 135.8 50.24 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.657 3.571 . . . . 10.0 112.22 172.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.0 p -63.62 -36.7 84.69 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.745 1.017 . . . . 10.0 113.745 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -70.53 -25.34 63.08 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.671 1.188 . . . . 10.0 113.299 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 47.3 mm -80.0 -41.27 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.132 0.973 . . . . 10.0 110.976 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.5 ttt -52.5 -45.92 66.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.775 0.83 . . . . 10.0 111.343 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.16 -45.16 64.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.332 1.053 . . . . 10.0 113.324 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.15 -46.86 79.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.638 0.775 . . . . 10.0 111.513 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.2 -39.18 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.777 0.831 . . . . 10.0 111.425 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.43 -44.73 82.06 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.288 0.949 . . . . 10.0 112.222 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.02 -27.46 57.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.302 1.223 . . . . 10.0 114.302 -173.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.46 -41.47 63.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 115.206 1.558 . . . . 10.0 115.206 -173.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 115.819 1.785 . . . . 10.0 115.819 -171.499 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.76 -52.33 62.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.444 1.498 . . . . 10.0 112.609 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.94 -38.46 82.88 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.76 -0.587 . . . . 10.0 112.277 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.45 -43.27 94.79 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.453 -0.78 . . . . 10.0 111.743 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.8 -32.08 73.61 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.361 1.464 . . . . 10.0 113.362 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.48 -34.75 69.36 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.848 0.859 . . . . 10.0 113.025 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.13 -55.53 5.04 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.574 0.75 . . . . 10.0 111.011 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.6 mtm -56.72 -32.64 65.72 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -171.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 45.4 m -68.6 -20.02 64.48 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -57.69 -33.61 68.55 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.155 1.539 . . . . 10.0 115.155 -169.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.475 0.813 0 O-C-N 120.298 -1.502 . . . . 10.0 114.499 175.538 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.597 0 N-CA-C 114.497 0.559 . . . . 10.0 114.497 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -56.19 -20.35 17.61 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.98 -22.32 48.74 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.725 1.21 . . . . 10.0 112.97 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -20.35 55.53 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.007 1.323 . . . . 10.0 114.148 173.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -91.09 4.23 52.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 10.0 113.691 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 17.4 t -113.94 153.06 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.679 1.591 . . . . 10.0 111.031 -173.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 63.8 p -132.5 157.3 44.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.703 1.601 . . . . 10.0 110.511 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -59.49 -34.88 73.14 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.456 -0.777 . . . . 10.0 112.142 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -61.88 -40.19 94.56 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.582 -0.699 . . . . 10.0 112.225 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.79 -43.58 88.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.59 -0.719 . . . . 10.0 111.659 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -55.17 -50.04 70.33 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.462 1.028 . . . . 10.0 111.83 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.4 m -56.85 -49.12 76.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.461 1.105 . . . . 10.0 112.639 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -70.43 -37.19 74.36 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.767 -0.635 . . . . 10.0 111.84 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.52 -35.91 82.49 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.742 1.61 . . . . 10.0 112.255 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.4 t -59.38 -48.05 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.037 1.29 . . . . 10.0 109.86 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.15 -47.76 77.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.629 0.772 . . . . 10.0 112.57 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.1 87.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.878 1.271 . . . . 10.0 111.782 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.571 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.0 OUTLIER -56.38 -59.04 5.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.417 1.087 . . . . 10.0 109.345 169.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.02 -44.28 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.927 1.291 . . . . 10.0 112.976 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -58.65 -41.12 85.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.8 0.84 . . . . 10.0 112.936 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.48 -40.26 43.63 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.318 0.647 . . . . 10.0 112.462 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.14 -46.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.943 1.297 . . . . 10.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -141.36 101.43 6.16 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 123.635 0.774 . . . . 10.0 110.25 170.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.47 95.96 0.72 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.077 2.518 . . . . 10.0 109.027 169.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.7 p -54.18 148.69 21.64 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.983 1.713 . . . . 10.0 114.871 -171.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.66 -26.31 19.72 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.302 2.668 . . . . 10.0 113.236 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -161.36 150.21 13.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 126.811 2.044 . . . . 10.0 109.218 -170.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -67.48 -13.71 40.02 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.263 1.975 . . . . 10.0 114.291 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.87 -30.4 61.31 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.647 1.112 . . . . 10.0 111.957 169.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.69 67.85 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.173 -0.954 . . . . 10.0 112.805 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.0 -23.75 48.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.279 1.432 . . . . 10.0 113.803 170.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -104.18 -7.24 20.28 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.069 1.347 . . . . 10.0 114.31 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.25 150.07 49.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.736 0.814 . . . . 10.0 112.147 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -63.39 -27.3 69.21 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.739 -1.225 . . . . 10.0 112.451 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -67.47 -35.44 79.18 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.164 1.385 . . . . 10.0 111.829 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.1 tpt -74.05 -37.09 64.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 10.0 111.732 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.27 -36.86 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.815 -1.178 . . . . 10.0 113.231 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.26 -0.9 . . . . 10.0 111.941 170.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -38.41 86.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.761 0.825 . . . . 10.0 112.642 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -43.8 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.948 1.699 . . . . 10.0 111.586 171.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.65 88.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.043 0.937 . . . . 10.0 112.628 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -57.9 -45.48 86.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.496 1.118 . . . . 10.0 111.914 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.73 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.181 -0.949 . . . . 10.0 112.438 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.83 -44.27 94.15 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.317 0.962 . . . . 10.0 112.353 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -61.1 -46.07 92.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.185 0.994 . . . . 10.0 112.103 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.93 -52.36 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.4 0.546 . . . . 10.0 110.761 174.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -55.51 -45.16 77.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.969 0.804 . . . . 10.0 112.491 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.54 87.52 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.914 0.769 . . . . 10.0 114.178 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.65 -36.49 57.32 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.742 1.271 . . . . 10.0 111.939 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 32.9 mmt -68.35 -40.61 81.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.759 0.824 . . . . 10.0 110.814 175.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.41 -46.75 88.87 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.517 1.527 . . . . 10.0 112.955 172.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.58 -28.2 69.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.895 0.878 . . . . 10.0 112.728 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 67.7 m -87.34 -36.7 17.68 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.168 1.173 . . . . 10.0 114.168 -175.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.26 19.41 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.907 1.818 . . . . 10.0 115.907 -169.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -69.45 -22.81 63.62 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.066 1.746 . . . . 10.0 113.704 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 72.8 p -148.4 165.47 31.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.217 1.407 . . . . 10.0 112.998 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -57.14 -42.38 80.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.068 1.347 . . . . 10.0 112.364 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -43.75 87.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.117 0.967 . . . . 10.0 111.458 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.05 -34.56 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.841 -0.537 . . . . 10.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.1 -60.42 3.86 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.911 1.284 . . . . 10.0 112.096 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -51.32 -44.37 61.95 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 169.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.42 -42.6 99.56 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.023 0.829 . . . . 10.0 112.724 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.03 -44.43 89.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.613 1.165 . . . . 10.0 112.304 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.97 -53.94 50.84 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.2 0.6 . . . . 10.0 110.693 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -32.7 74.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.831 1.252 . . . . 10.0 113.353 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.22 -49.0 66.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.347 1.459 . . . . 10.0 112.226 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -63.16 -40.17 96.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.475 0.71 . . . . 10.0 110.888 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.5 mm -56.01 -38.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 124.575 1.15 . . . . 10.0 111.228 169.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -42.9 64.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.655 1.116 . . . . 10.0 112.697 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -50.54 -57.6 7.75 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.627 0.649 . . . . 10.0 109.381 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.07 -53.52 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 O-C-N 123.748 0.655 . . . . 10.0 111.431 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.55 -50.11 75.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.223 -0.923 . . . . 10.0 113.114 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.11 -52.21 37.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.145 0.978 . . . . 10.0 112.642 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.54 -31.68 68.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.113 . . . . 10.0 112.828 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.23 -61.6 1.84 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.512 0.725 . . . . 10.0 110.589 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -50.35 74.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.347 1.059 . . . . 10.0 113.752 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.28 -8.68 57.06 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.828 0.851 . . . . 10.0 113.241 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -102.61 -28.15 12.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.188 1.395 . . . . 10.0 112.573 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 C-N-CA 124.246 1.018 . . . . 10.0 110.912 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.4 tp -124.99 82.18 61.72 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.642 1.977 . . . . 10.0 110.444 -170.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.07 143.05 33.04 Favored 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 125.725 4.283 . . . . 10.0 114.689 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 15.8 m -56.0 -42.2 76.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.058 1.503 . . . . 10.0 115.058 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.45 -39.58 81.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.307 0.643 . . . . 10.0 112.652 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -67.24 -45.79 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.192 0.997 . . . . 10.0 110.679 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 60.8 ttp -58.65 -52.48 65.52 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.482 1.113 . . . . 10.0 111.979 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.85 -41.36 74.19 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.792 0.837 . . . . 10.0 113.077 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -61.56 -44.56 96.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.242 0.617 . . . . 10.0 112.114 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.92 -42.24 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.544 -0.722 . . . . 10.0 111.519 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.06 -37.43 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.948 1.249 . . . . 10.0 112.556 177.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.07 -47.42 74.35 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.908 1.283 . . . . 10.0 112.093 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -80.06 -40.7 27.13 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.143 1.534 . . . . 10.0 115.143 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 117.76 2.504 . . . . 10.0 117.76 -173.759 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 64.3 tttp . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 119.315 -0.374 . . . . 10.0 111.728 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.74 -56.93 14.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.664 1.186 . . . . 10.0 112.263 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.71 -42.56 88.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.768 1.227 . . . . 10.0 111.978 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -64.51 -39.74 94.33 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.159 0.583 . . . . 10.0 111.808 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.91 -25.47 62.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.872 1.669 . . . . 10.0 113.981 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 25.1 mt -51.89 -37.0 50.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.863 1.211 . . . . 10.0 113.625 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.57 -58.18 3.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.317 1.047 . . . . 10.0 112.32 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 70.5 mtm -60.68 -26.64 67.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.655 1.354 . . . . 10.0 114.655 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 90.1 p -68.83 -19.9 64.28 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 174.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.7 m -60.01 -29.72 68.67 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 . . . . . 0 N--CA 1.475 0.776 0 O-C-N 120.391 -1.443 . . . . 10.0 114.197 173.087 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 N-CA-C 116.283 1.273 . . . . 10.0 116.283 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -68.49 -6.43 24.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.963 1.382 . . . . 10.0 114.248 172.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -57.07 -21.78 34.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.896 2.078 . . . . 10.0 114.558 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.41 -24.16 53.79 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.361 1.464 . . . . 10.0 114.077 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.43 -4.55 40.19 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 74.8 t -133.06 157.99 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.562 1.945 . . . . 10.0 110.409 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 12.2 t -147.11 159.48 43.56 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.992 1.317 . . . . 10.0 110.668 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -55.33 -39.3 69.81 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.502 -0.749 . . . . 10.0 112.481 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.16 -28.04 69.13 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.55 -52.19 28.6 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.342 0.657 . . . . 10.0 109.708 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.75 -38.35 81.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.675 1.19 . . . . 10.0 113.561 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.9 m -48.08 -45.32 32.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.709 0.804 . . . . 10.0 112.838 170.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -75.53 -41.36 55.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.472 0.709 . . . . 10.0 111.622 176.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.45 -34.57 77.06 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.155 1.343 . . . . 10.0 112.923 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.88 -48.82 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.188 0.995 . . . . 10.0 109.971 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -60.85 -38.25 84.87 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.905 0.775 . . . . 10.0 112.89 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.26 -46.04 91.18 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.976 1.31 . . . . 10.0 111.663 174.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.37 -53.38 58.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.536 1.134 . . . . 10.0 110.3 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.75 -40.57 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.863 1.265 . . . . 10.0 113.244 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.71 -36.13 83.3 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.022 1.283 . . . . 10.0 112.892 177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.03 73.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.197 0.453 . . . . 10.0 112.158 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 29.3 mt -69.55 -46.17 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.613 0.765 . . . . 10.0 111.452 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 0.6 OUTLIER -142.9 104.56 5.26 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.189 0.995 . . . . 10.0 110.618 171.156 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.47 92.57 0.13 Allowed 'Trans proline' 0 CA--C 1.548 1.197 0 C-N-CA 124.303 3.335 . . . . 10.0 110.676 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.8 t -51.07 143.29 16.48 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 126.297 1.839 . . . . 10.0 114.858 -171.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.438 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 83.4 Cg_endo -80.68 -25.96 4.09 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.216 2.611 . . . . 10.0 113.011 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -164.98 147.76 7.02 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.106 1.762 . . . . 10.0 110.333 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.33 -12.9 36.31 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.363 2.042 . . . . 10.0 114.322 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.61 -25.06 36.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.931 1.241 . . . . 10.0 112.201 169.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.51 -27.62 67.14 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.924 -1.11 . . . . 10.0 112.338 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.01 -19.47 12.77 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.396 1.478 . . . . 10.0 114.315 171.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -119.79 16.18 12.67 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.393 1.477 . . . . 10.0 114.022 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.18 148.72 43.69 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.628 -0.67 . . . . 10.0 110.95 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -31.59 64.13 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.703 1.201 . . . . 10.0 114.047 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -85.12 -29.32 24.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.69 -34.79 79.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.0 0.818 . . . . 10.0 111.038 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.13 -38.1 72.97 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.731 1.15 . . . . 10.0 113.086 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -66.97 -41.58 86.61 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.604 -0.685 . . . . 10.0 111.527 174.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.92 -45.79 92.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.663 1.185 . . . . 10.0 111.941 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 8.0 t -57.11 -46.43 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.463 1.505 . . . . 10.0 111.699 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.8 89.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.408 1.083 . . . . 10.0 112.613 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 5.4 t80 -58.97 -45.88 89.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.854 1.262 . . . . 10.0 111.886 171.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.9 89.18 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.959 0.904 . . . . 10.0 112.351 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.34 -44.03 97.45 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.093 0.861 . . . . 10.0 112.4 170.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -46.99 88.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.14 1.376 . . . . 10.0 111.738 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.69 -52.02 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.895 0.878 . . . . 10.0 110.689 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -54.75 -46.8 74.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.349 0.977 . . . . 10.0 111.944 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.99 -27.28 72.04 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.032 0.825 . . . . 10.0 114.418 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -82.09 -39.62 23.12 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.724 1.262 . . . . 10.0 111.348 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 16.9 mmt -65.36 -38.7 90.86 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.909 0.884 . . . . 10.0 111.331 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.34 -25.15 65.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.144 1.778 . . . . 10.0 113.723 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -99.21 -5.1 30.56 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.649 1.18 . . . . 10.0 113.046 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.3 m -107.58 11.46 28.62 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.276 1.431 . . . . 10.0 114.156 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.38 149.75 51.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.774 1.229 . . . . 10.0 113.038 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -5.55 45.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.021 1.328 . . . . 10.0 113.534 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 77.5 p -152.16 162.71 40.72 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.502 1.521 . . . . 10.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -56.0 -42.0 75.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.551 1.14 . . . . 10.0 111.996 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -43.4 95.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.344 1.058 . . . . 10.0 112.007 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.25 -38.57 85.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.618 -0.676 . . . . 10.0 112.071 173.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.3 -51.27 70.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.133 0.973 . . . . 10.0 112.315 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.31 75.62 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 170.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.79 -39.05 87.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.572 0.624 . . . . 10.0 112.388 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.94 -44.14 85.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.635 0.774 . . . . 10.0 112.52 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.33 -46.86 79.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.223 0.919 . . . . 10.0 111.045 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.39 73.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.352 1.061 . . . . 10.0 113.29 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.44 -42.13 99.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.462 -0.774 . . . . 10.0 111.492 171.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -35.25 72.69 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.503 175.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.15 -52.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.735 1.152 . . . . 10.0 109.071 168.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -56.37 -50.88 70.26 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.872 0.869 . . . . 10.0 111.739 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.0 tmpt? -56.01 -51.56 67.33 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.744 0.818 . . . . 10.0 112.086 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.99 -37.78 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.09 0.556 . . . . 10.0 110.491 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -65.18 -48.99 71.53 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.228 -0.92 . . . . 10.0 111.431 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.2 mmpt? -64.92 -36.07 83.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.646 1.578 . . . . 10.0 112.564 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.44 -52.51 64.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 10.0 111.886 170.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.77 -41.26 86.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.826 1.194 . . . . 10.0 112.212 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -65.73 -0.46 2.16 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -125.67 -35.07 2.57 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 10.0 112.718 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.85 -13.48 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.53 1.532 . . . . 10.0 114.135 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 N--CA 1.483 1.204 0 C-N-CA 125.541 1.537 . . . . 10.0 113.448 171.548 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.3 mm . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 115.204 1.557 . . . . 10.0 115.204 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 24.8 tp -110.72 99.7 42.83 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.584 1.954 . . . . 10.0 111.953 -169.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 93.2 Cg_exo -51.26 148.53 18.52 Favored 'Trans proline' 0 C--N 1.351 0.669 1 C-N-CA 125.785 4.323 . . . . 10.0 114.815 171.647 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -58.83 -36.26 74.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.4 -37.72 87.82 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.991 0.814 . . . . 10.0 112.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.4 mp -77.18 -44.8 30.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.708 0.803 . . . . 10.0 109.393 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 63.1 ttp -53.92 -51.08 64.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.732 0.696 . . . . 10.0 112.071 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.04 -43.11 66.37 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.084 1.354 . . . . 10.0 112.895 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.11 -46.38 67.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.791 0.837 . . . . 10.0 112.145 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.63 -36.73 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.71 1.204 . . . . 10.0 112.207 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.86 -46.17 79.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.387 0.994 . . . . 10.0 111.84 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -78.89 -45.29 20.92 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -170.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.88 -47.97 70.21 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 115.999 1.852 . . . . 10.0 115.999 -171.735 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 55.4 tttp . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.96 -52.82 64.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.963 1.305 . . . . 10.0 112.15 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.46 -34.76 79.04 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.613 0.642 . . . . 10.0 112.151 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.66 -43.22 97.36 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.267 -0.896 . . . . 10.0 112.363 171.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.46 -28.56 69.3 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.772 1.229 . . . . 10.0 112.812 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.96 -44.73 70.98 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.7 1.136 . . . . 10.0 112.054 173.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.88 -53.31 21.96 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.801 0.84 . . . . 10.0 111.728 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 19.4 ttp -64.32 -25.24 67.95 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -169.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.8 t -63.47 -19.78 65.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.016 1.727 . . . . 10.0 114.417 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 9.4 m -53.91 -33.4 56.54 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.449 -1.407 . . . . 10.0 114.117 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 CA--C 1.547 0.832 0 CA-C-N 119.351 0.978 . . . . 10.0 113.124 174.562 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.234 0 N-CA-C 116.116 1.206 . . . . 10.0 116.116 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -66.69 -13.74 61.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.359 1.615 . . . . 10.0 115.359 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -54.0 -29.31 42.76 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.898 1.679 . . . . 10.0 114.248 -169.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.02 -18.92 38.94 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.248 1.573 . . . . 10.0 115.248 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.8 -9.6 58.71 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.262 1.208 . . . . 10.0 114.262 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.01 152.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.236 1.414 . . . . 10.0 111.197 -174.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.4 t -150.38 161.75 41.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.811 1.645 . . . . 10.0 111.095 -177.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -59.94 -29.86 68.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.82 -34.97 78.98 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.273 0.942 . . . . 10.0 112.486 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.53 -54.95 15.61 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.105 0.962 . . . . 10.0 110.093 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.1 -37.29 79.54 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.909 1.077 . . . . 10.0 113.909 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 75.3 m -49.48 -46.4 48.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.935 0.894 . . . . 10.0 112.486 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.54 -35.72 29.96 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.618 0.767 . . . . 10.0 112.604 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.43 -47.55 85.21 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.778 1.172 . . . . 10.0 111.701 176.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.15 -46.16 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.664 1.12 . . . . 10.0 110.713 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.99 -52.29 51.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.277 0.631 . . . . 10.0 111.939 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -72.44 -32.09 66.0 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 10.0 113.258 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.401 ' HA ' HD11 ' B' ' 657' ' ' ILE . 0.8 OUTLIER -58.97 -52.88 63.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.527 1.531 . . . . 10.0 108.933 169.682 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.83 -47.29 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.693 1.597 . . . . 10.0 112.737 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.78 -42.46 84.16 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.991 0.917 . . . . 10.0 112.452 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.83 62.52 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.66 -43.35 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.861 0.864 . . . . 10.0 111.573 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -141.44 96.01 7.11 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.079 0.552 . . . . 10.0 111.431 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -62.98 92.55 0.14 Allowed 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 124.309 3.339 . . . . 10.0 109.736 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.7 p -56.68 148.9 44.36 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 125.41 1.484 . . . . 10.0 114.318 -171.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.75 -29.18 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.991 2.461 . . . . 10.0 113.22 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -157.59 162.36 27.41 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 126.193 1.797 . . . . 10.0 111.316 -174.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.32 -5.56 17.35 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.9 2.4 . . . . 10.0 115.436 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.05 -31.03 15.72 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.947 1.249 . . . . 10.0 111.352 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.61 64.9 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.292 0.951 . . . . 10.0 113.125 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 27.1 mt -53.08 -28.43 25.07 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.492 1.517 . . . . 10.0 114.092 169.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.91 1.64 24.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.077 1.751 . . . . 10.0 113.091 -176.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -60.42 148.82 36.03 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.02 0.827 . . . . 10.0 112.47 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . 0.525 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 0.0 OUTLIER -47.67 -43.4 26.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.173 1.789 . . . . 10.0 113.362 178.097 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -79.29 -29.32 42.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.461 1.504 . . . . 10.0 112.108 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -67.62 -36.71 81.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.445 0.566 . . . . 10.0 111.562 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.38 -34.78 78.47 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.064 -1.022 . . . . 10.0 113.032 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -66.57 -40.75 89.15 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.27 -0.894 . . . . 10.0 111.956 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.6 tt -62.03 -44.78 95.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.164 0.986 . . . . 10.0 111.658 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.8 t -54.89 -45.54 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.804 1.642 . . . . 10.0 112.242 170.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.36 86.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.164 -0.96 . . . . 10.0 112.819 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.582 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.71 -44.33 96.71 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.698 0.799 . . . . 10.0 111.407 170.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.44 97.77 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.602 -0.686 . . . . 10.0 112.26 173.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.23 -45.28 95.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.15 0.886 . . . . 10.0 112.713 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -47.73 84.61 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.858 1.263 . . . . 10.0 111.95 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.73 -36.61 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.551 -0.738 . . . . 10.0 112.321 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.02 -46.09 75.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.497 1.499 . . . . 10.0 112.169 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -67.1 -28.67 73.84 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.491 0.567 . . . . 10.0 114.324 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.18 -36.95 46.8 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.495 1.147 . . . . 10.0 111.801 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -68.67 -35.14 76.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.996 1.319 . . . . 10.0 111.237 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.82 -52.69 62.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.198 1.399 . . . . 10.0 111.958 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.06 -22.48 66.95 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.887 -1.133 . . . . 10.0 114.017 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.2 m -80.55 -4.68 54.9 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.515 1.302 . . . . 10.0 114.515 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -113.45 149.94 33.51 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.502 1.046 . . . . 10.0 113.453 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.57 -0.54 21.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.526 1.531 . . . . 10.0 113.357 175.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.5 p -151.68 160.13 43.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.216 1.406 . . . . 10.0 111.918 171.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.52 74.5 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.48 1.112 . . . . 10.0 112.755 172.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.22 -46.56 83.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.047 0.939 . . . . 10.0 111.917 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.48 -38.73 87.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.299 0.639 . . . . 10.0 112.219 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -57.4 -55.98 27.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 10.0 112.323 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -52.71 -45.79 67.05 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 170.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -62.14 -38.27 88.35 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.606 0.639 . . . . 10.0 112.213 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 55.1 mt -65.82 -44.09 86.63 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.046 0.839 . . . . 10.0 112.764 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 67.7 mt -58.01 -49.65 76.13 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.852 0.751 . . . . 10.0 110.958 171.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.17 67.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.627 1.171 . . . . 10.0 113.686 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.76 -48.35 69.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.95 -1.094 . . . . 10.0 111.629 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.57 -33.44 75.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.815 0.734 . . . . 10.0 112.327 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' B' ' 607' ' ' LEU . 2.2 mm -62.23 -46.78 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.761 1.224 . . . . 10.0 111.307 172.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.56 -42.46 87.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.117 -0.944 . . . . 10.0 110.924 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -50.79 -55.77 15.25 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.952 1.251 . . . . 10.0 111.933 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.69 -48.16 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.952 0.901 . . . . 10.0 111.197 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.58 -53.78 46.39 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.62 0.645 . . . . 10.0 112.148 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.64 -34.94 75.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.713 2.405 . . . . 10.0 113.174 -177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.26 -64.1 0.98 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.426 0.69 . . . . 10.0 111.873 170.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.25 -33.88 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -169.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.91 -12.02 22.35 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -108.95 -56.98 2.21 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.895 1.278 . . . . 10.0 110.907 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.45 -12.69 23.38 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 -174.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 125.041 1.337 . . . . 10.0 113.593 175.332 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.3 tp -132.67 83.8 52.37 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 129.104 2.962 . . . . 10.0 106.694 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 12.5 Cg_exo -39.87 132.92 1.88 Allowed 'Trans proline' 0 C--N 1.35 0.65 1 C-N-CA 126.801 5.001 . . . . 10.0 114.492 177.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 49.1 p -52.05 -41.41 62.29 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.264 1.95 . . . . 10.0 116.264 -169.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.42 -34.03 76.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.443 -0.785 . . . . 10.0 112.811 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 2.0 mp -78.88 -41.13 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.7 0.8 . . . . 10.0 109.883 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 44.2 ttm -49.5 -54.22 19.08 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.537 1.135 . . . . 10.0 110.861 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.16 -39.24 66.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 10.0 113.556 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.66 -43.05 97.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.45 0.7 . . . . 10.0 112.1 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.68 -46.3 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.922 0.783 . . . . 10.0 111.598 174.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.27 -31.37 70.16 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.153 0.888 . . . . 10.0 112.927 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -78.62 -42.12 29.72 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.067 1.347 . . . . 10.0 112.744 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -79.98 -42.86 23.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.225 1.195 . . . . 10.0 114.225 -174.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 117.553 2.427 . . . . 10.0 117.553 -172.547 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 119.527 -0.273 . . . . 10.0 111.448 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.25 -47.65 80.84 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.943 1.297 . . . . 10.0 113.031 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.88 -46.53 90.24 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.076 0.853 . . . . 10.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.14 -40.31 85.1 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 121.406 0.622 . . . . 10.0 110.881 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.22 -20.1 63.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.033 2.133 . . . . 10.0 115.283 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.96 -38.71 86.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.938 1.699 . . . . 10.0 112.377 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.42 -33.01 70.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.28 0.632 . . . . 10.0 112.175 169.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -71.8 -36.58 70.33 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 10.0 111.183 -176.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 18.3 t -53.49 -28.4 30.73 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.262 1.425 . . . . 10.0 112.689 172.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . 0.445 HG23 ' CD2' ' B' ' 602' ' ' HIS . 38.9 m -55.34 -45.8 76.41 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.105 0.962 . . . . 10.0 112.724 172.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.47 0.541 0 O-C-N 121.131 -0.981 . . . . 10.0 111.576 178.428 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.472 0 N-CA-C 114.439 0.536 . . . . 10.0 114.439 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -60.12 -13.64 13.0 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.328 1.603 . . . . 10.0 115.328 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -58.39 -21.73 51.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.292 1.437 . . . . 10.0 112.915 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.79 -21.03 64.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 172.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -87.63 3.66 46.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.792 1.237 . . . . 10.0 113.478 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 40.6 t -112.19 150.43 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.567 1.547 . . . . 10.0 111.673 -169.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 70.4 p -135.09 158.09 45.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.048 1.739 . . . . 10.0 110.8 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.26 -32.73 72.55 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.269 -0.894 . . . . 10.0 112.102 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.29 -43.06 99.5 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.137 0.975 . . . . 10.0 112.13 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.48 -46.49 88.22 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.313 0.645 . . . . 10.0 111.467 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -57.55 -48.96 77.89 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.806 0.73 . . . . 10.0 111.353 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 64.6 m -58.4 -50.12 74.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.036 . . . . 10.0 112.683 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . 0.445 ' CD2' HG23 ' A' ' 305' ' ' THR . 6.6 t60 -73.63 -36.71 65.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.876 0.47 . . . . 10.0 111.992 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.7 -40.54 95.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.657 1.117 . . . . 10.0 111.971 172.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.15 -44.23 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.585 1.084 . . . . 10.0 111.035 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.17 -46.69 82.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.132 0.878 . . . . 10.0 112.159 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -60.25 -43.46 96.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.355 1.062 . . . . 10.0 111.842 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -56.39 19.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.559 1.144 . . . . 10.0 110.543 170.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -47.28 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.015 1.326 . . . . 10.0 112.195 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -64.22 -36.92 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.584 0.629 . . . . 10.0 112.641 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.86 66.13 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 27.4 mt -67.7 -54.3 24.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 121.714 -0.616 . . . . 10.0 109.917 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 1.0 OUTLIER -141.14 102.86 6.16 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.105 0.962 . . . . 10.0 110.048 173.711 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.52 101.54 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.052 2.501 . . . . 10.0 109.4 169.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.2 p -56.05 147.6 44.07 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.453 1.501 . . . . 10.0 114.321 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.34 -33.61 23.26 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 112.893 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -150.84 159.69 33.58 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.715 2.406 . . . . 10.0 109.116 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.16 -15.86 39.63 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.62 2.214 . . . . 10.0 113.328 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.06 -33.29 74.29 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.325 -0.86 . . . . 10.0 112.066 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.07 -26.53 66.78 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.396 -0.815 . . . . 10.0 113.033 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.96 -22.6 49.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.789 1.236 . . . . 10.0 113.377 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 3.42 26.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.322 1.849 . . . . 10.0 112.931 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.96 140.12 58.35 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.362 -0.836 . . . . 10.0 111.813 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -3.04 0.11 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.479 2.029 . . . . 10.0 116.479 177.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -116.96 -28.04 6.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.171 1.789 . . . . 10.0 112.906 174.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 15.6 tpt -62.17 -28.34 69.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.396 0.998 . . . . 10.0 112.091 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -55.54 -27.46 49.06 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -72.52 -40.07 67.07 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.388 0.994 . . . . 10.0 111.755 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.49 -46.55 85.63 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.271 1.428 . . . . 10.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.93 -45.23 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.798 1.639 . . . . 10.0 112.1 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.09 94.66 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.414 1.006 . . . . 10.0 112.255 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.33 -45.9 90.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.522 1.129 . . . . 10.0 111.849 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.79 98.14 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 10.0 111.945 174.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.16 -31.6 72.86 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.866 0.867 . . . . 10.0 113.168 173.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.8 -46.48 58.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.558 1.143 . . . . 10.0 111.923 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.21 -50.12 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.276 0.63 . . . . 10.0 109.981 171.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -47.32 -56.25 7.2 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.965 1.306 . . . . 10.0 112.426 173.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.8 -35.51 91.39 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 123.304 0.478 . . . . 10.0 113.872 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.11 -38.77 51.55 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.302 1.051 . . . . 10.0 111.845 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.4 mmt -68.43 -40.89 81.0 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.106 0.962 . . . . 10.0 111.011 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.28 -45.69 90.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.325 1.45 . . . . 10.0 112.924 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.2 -30.38 70.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.816 0.846 . . . . 10.0 112.679 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -78.58 -34.05 47.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.963 1.097 . . . . 10.0 113.963 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.91 131.6 41.62 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -77.0 -18.8 57.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.678 1.591 . . . . 10.0 113.786 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.7 p -145.97 162.98 36.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.297 1.439 . . . . 10.0 112.9 176.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -57.24 -44.52 83.91 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.796 1.239 . . . . 10.0 112.623 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.13 -44.05 95.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.418 1.087 . . . . 10.0 112.245 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.95 -38.14 85.59 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.63 -0.669 . . . . 10.0 112.316 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.82 -55.29 36.96 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.011 1.324 . . . . 10.0 111.918 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -50.0 -47.73 52.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.767 0.827 . . . . 10.0 112.211 169.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -65.3 -41.58 93.96 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.325 -0.859 . . . . 10.0 112.404 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.68 -38.94 92.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.609 1.164 . . . . 10.0 112.442 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.24 -48.81 78.29 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.845 0.748 . . . . 10.0 111.311 169.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.25 -28.77 69.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.43 -40.57 93.49 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.338 -0.851 . . . . 10.0 112.619 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -37.53 72.33 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.622 1.101 . . . . 10.0 111.985 174.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.2 mt -54.74 -54.22 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 118.738 0.699 . . . . 10.0 109.472 169.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -53.23 -56.09 19.26 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.969 0.908 . . . . 10.0 111.664 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -52.02 -58.39 6.67 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.032 0.933 . . . . 10.0 112.731 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.222 0.464 . . . . 10.0 110.127 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -69.02 -58.15 4.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.861 -0.524 . . . . 10.0 112.335 -175.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -70.07 -23.89 63.15 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.001 0.819 . . . . 10.0 113.176 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -68.64 -55.78 10.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.582 0.753 . . . . 10.0 111.727 170.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.43 -37.29 82.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.163 0.892 . . . . 10.0 112.692 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.48 1.97 1.04 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.089 1.514 . . . . 10.0 115.089 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -124.01 -42.7 2.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.451 1.5 . . . . 10.0 111.754 170.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -65.86 -9.96 33.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.029 1.732 . . . . 10.0 114.801 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? . . . . . 0 N--CA 1.483 1.216 0 C-N-CA 125.774 1.629 . . . . 10.0 113.94 176.538 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 13.6 mm . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 113.73 1.011 . . . . 10.0 113.73 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.93 90.42 48.59 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.183 1.793 . . . . 10.0 109.528 -169.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.25 139.42 27.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 125.178 3.919 . . . . 10.0 113.595 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.3 m -57.73 -33.68 68.7 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.565 1.32 . . . . 10.0 114.565 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.82 -38.26 73.24 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.53 -0.731 . . . . 10.0 112.811 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.96 -43.38 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.495 0.718 . . . . 10.0 109.378 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 53.7 ttm -50.94 -53.51 32.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.067 1.347 . . . . 10.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.42 -37.73 75.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -175.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.67 -38.43 90.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.197 0.599 . . . . 10.0 112.122 173.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.19 -49.09 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.941 0.791 . . . . 10.0 110.896 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.91 -32.4 72.79 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -71.63 -41.43 68.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.772 1.229 . . . . 10.0 113.243 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . 0.431 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 32.7 m-80 -80.15 -42.79 22.79 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.687 1.366 . . . . 10.0 114.687 -173.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 117.704 2.483 . . . . 10.0 117.704 -169.472 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.9 tptm . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.12 -53.8 54.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.476 1.511 . . . . 10.0 112.561 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.51 -30.67 69.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.226 0.611 . . . . 10.0 112.254 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -64.46 -44.0 92.47 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.669 -0.644 . . . . 10.0 112.063 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.3 tp -67.87 -24.5 65.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.759 1.624 . . . . 10.0 113.685 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 67.4 mt -51.73 -47.82 63.87 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.16 0.891 . . . . 10.0 112.595 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.21 -46.9 86.84 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.356 1.062 . . . . 10.0 111.663 177.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 57.4 mtt -59.53 -33.2 71.09 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.564 1.145 . . . . 10.0 113.099 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.1 t -61.79 -24.81 67.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.099 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 29.3 m -51.5 -34.02 34.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.839 1.656 . . . . 10.0 114.636 -174.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 179.899 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.445 0 N-CA-C 116.549 1.379 . . . . 10.0 116.549 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -141.55 -14.91 0.84 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.626 1.713 . . . . 10.0 115.626 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -68.37 -17.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.634 0.774 . . . . 10.0 112.734 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.72 -13.29 3.85 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.935 2.094 . . . . 10.0 116.073 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -127.37 5.56 6.31 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.882 1.438 . . . . 10.0 114.882 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.66 140.74 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.114 -0.991 . . . . 10.0 109.754 170.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 87.4 m -135.98 146.95 47.77 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.113 1.365 . . . . 10.0 110.408 -172.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -57.17 -34.65 68.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.334 1.053 . . . . 10.0 113.723 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.7 -42.4 99.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.577 0.751 . . . . 10.0 112.237 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.88 -50.09 70.16 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.774 0.829 . . . . 10.0 110.505 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.89 -49.43 65.9 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.073 1.349 . . . . 10.0 112.806 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 62.2 m -61.49 -51.2 69.65 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.728 1.211 . . . . 10.0 112.141 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -67.19 -41.56 85.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 119.058 -0.496 . . . . 10.0 111.586 -177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.75 -43.17 98.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.275 0.943 . . . . 10.0 112.659 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.72 -49.18 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.709 1.14 . . . . 10.0 111.197 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -58.49 -41.78 86.1 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.569 0.622 . . . . 10.0 112.161 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -68.41 -34.83 76.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.136 1.374 . . . . 10.0 112.885 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 607' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' B' ' 657' ' ' ILE . 2.2 tp -60.22 -54.02 50.72 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.066 1.346 . . . . 10.0 108.789 169.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.55 -47.03 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.345 1.858 . . . . 10.0 113.022 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.87 -44.92 91.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.492 1.117 . . . . 10.0 112.601 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.24 77.05 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.3 -47.32 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.035 0.934 . . . . 10.0 111.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 612' ' ' PHE . . . . . 0.413 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 0.5 OUTLIER -133.03 99.27 15.1 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.237 0.615 . . . . 10.0 110.501 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.06 99.04 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 124.391 3.394 . . . . 10.0 110.22 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 81.8 p -47.08 151.39 1.19 Allowed Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 128.709 2.804 . . . . 10.0 116.792 -169.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.413 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 94.3 Cg_endo -79.34 -38.44 0.41 Allowed 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.558 2.839 . . . . 10.0 111.183 170.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -157.8 158.49 30.35 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 129.288 3.035 . . . . 10.0 108.377 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -70.48 -19.82 32.23 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.825 2.35 . . . . 10.0 112.461 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.23 66.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.89 1.276 . . . . 10.0 113.761 170.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.42 -39.37 81.62 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.33 -0.856 . . . . 10.0 112.369 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 69.7 mt -60.93 -28.33 68.86 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.451 1.501 . . . . 10.0 114.112 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -97.97 7.59 46.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.659 1.583 . . . . 10.0 113.613 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -116.87 159.12 22.86 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.159 1.383 . . . . 10.0 112.309 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -32.81 55.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.451 1.501 . . . . 10.0 112.949 -174.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -57.85 -22.96 50.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.826 2.05 . . . . 10.0 114.985 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 68.2 mtp -119.25 -17.08 8.96 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 117.989 -1.005 . . . . 10.0 112.571 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -54.11 -37.14 63.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.036 1.744 . . . . 10.0 112.395 169.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.51 -49.28 77.96 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.018 1.327 . . . . 10.0 111.85 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.87 -42.74 85.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.163 1.385 . . . . 10.0 112.379 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.89 -45.24 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.075 2.15 . . . . 10.0 112.173 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.58 89.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.213 1.005 . . . . 10.0 112.332 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 631' ' ' TYR . . . . . 0.494 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -61.69 -42.56 99.1 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.361 1.064 . . . . 10.0 112.214 170.444 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.24 98.14 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.414 -0.804 . . . . 10.0 111.573 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.01 -45.29 93.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.2 0.909 . . . . 10.0 112.443 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.48 -46.78 87.83 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.568 1.147 . . . . 10.0 112.345 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.76 -42.07 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.402 0.681 . . . . 10.0 111.81 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -53.15 -42.53 66.2 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.334 0.97 . . . . 10.0 111.595 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.07 -29.94 76.35 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.462 1.029 . . . . 10.0 114.545 176.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.66 -40.53 28.9 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.102 1.451 . . . . 10.0 111.529 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -62.11 -39.7 93.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.564 0.746 . . . . 10.0 111.113 172.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.96 -49.06 74.01 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.541 1.936 . . . . 10.0 113.621 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -61.5 -22.38 65.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.291 1.036 . . . . 10.0 113.56 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.5 m -107.71 -20.23 13.28 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.602 1.704 . . . . 10.0 115.602 -170.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.8 133.72 36.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.483 1.038 . . . . 10.0 113.297 -174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.09 3.42 51.83 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 174.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.2 p -152.2 158.65 43.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.885 1.274 . . . . 10.0 111.053 169.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -64.03 -37.89 89.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.242 0.617 . . . . 10.0 112.25 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.97 -42.86 99.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 10.0 112.203 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.14 -39.89 86.66 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.563 -0.711 . . . . 10.0 112.127 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.46 -52.81 63.87 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.176 0.99 . . . . 10.0 111.756 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -53.81 -47.85 70.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 170.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.54 -45.1 89.58 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.039 0.836 . . . . 10.0 111.716 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.75 -43.86 97.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.239 1.015 . . . . 10.0 112.782 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.23 -56.7 18.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.087 0.858 . . . . 10.0 111.276 170.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.99 -26.84 62.4 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 -169.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.77 -44.98 65.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.849 -1.157 . . . . 10.0 111.381 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -38.47 75.5 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.669 0.668 . . . . 10.0 110.926 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 657' ' ' ILE . . . . . 0.518 HD11 ' HG ' ' B' ' 607' ' ' LEU . 11.2 mm -63.34 -52.59 56.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.927 1.291 . . . . 10.0 111.759 173.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -64.57 -36.87 85.61 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.079 1.309 . . . . 10.0 111.667 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -50.38 70.12 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.775 0.716 . . . . 10.0 112.172 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.47 -40.61 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.443 0.565 . . . . 10.0 110.713 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.14 -51.73 62.47 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -74.39 -23.87 59.04 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.1 -52.24 60.18 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.68 0.673 . . . . 10.0 110.352 169.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.53 -48.08 83.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.993 0.917 . . . . 10.0 111.772 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -57.76 -18.45 21.5 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.32 -60.24 1.59 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.292 -0.88 . . . . 10.0 112.009 171.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -62.7 -22.28 66.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.652 0.982 . . . . 10.0 113.652 -171.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 125.224 1.409 . . . . 10.0 113.109 177.359 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 60.4 tp -125.35 88.3 54.37 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.59 1.556 . . . . 10.0 108.397 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 846' ' ' PRO . . . . . 0.494 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 13.8 Cg_exo -41.89 134.34 3.93 Favored 'Trans proline' 0 C--N 1.352 0.712 1 C-N-CA 126.655 4.903 . . . . 10.0 114.374 174.075 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 59.1 p -55.51 -38.21 68.9 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.441 1.645 . . . . 10.0 115.441 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -44.39 94.04 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.383 1.073 . . . . 10.0 112.641 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.08 -35.69 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.46 1.104 . . . . 10.0 111.44 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 57.8 ttp -53.45 -54.23 39.9 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.016 0.926 . . . . 10.0 110.512 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.52 -41.59 66.53 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.333 1.053 . . . . 10.0 112.945 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -70.13 -41.18 74.27 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.83 -42.99 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.066 -1.022 . . . . 10.0 111.257 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.44 -28.74 69.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.061 0.846 . . . . 10.0 112.633 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -74.71 -46.78 35.4 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.163 1.385 . . . . 10.0 112.436 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -80.08 -42.53 23.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 119.043 2.979 . . . . 10.0 119.043 -170.293 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -153.39 -47.53 0.09 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.462 0.912 . . . . 10.0 113.462 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -58.13 -53.23 60.57 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.315 -0.865 . . . . 10.0 112.151 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -21.52 65.88 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.885 1.068 . . . . 10.0 113.885 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 46.9 mm -74.08 -51.79 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.438 1.095 . . . . 10.0 109.606 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -62.37 -38.6 90.2 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.702 0.801 . . . . 10.0 111.609 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.45 -52.5 64.44 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.663 1.185 . . . . 10.0 112.135 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 8.3 tt -58.98 -46.9 86.98 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.106 0.962 . . . . 10.0 112.323 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.12 -41.75 99.4 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.455 0.702 . . . . 10.0 111.715 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 58.6 tp -71.01 -39.0 72.65 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.889 1.276 . . . . 10.0 113.232 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.69 -40.74 60.63 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.132 1.373 . . . . 10.0 113.679 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.81 -56.5 4.62 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.322 0.649 . . . . 10.0 111.298 174.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.79 -20.17 66.23 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.664 1.357 . . . . 10.0 114.664 -171.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 95.9 p -70.71 -20.38 62.66 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.096 1.147 . . . . 10.0 114.096 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.6 m -58.32 -41.93 85.64 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.789 1.177 . . . . 10.0 113.249 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.71 -32.3 73.38 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.045 -1.034 . . . . 10.0 112.977 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -71.08 -39.97 71.85 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.103 -0.998 . . . . 10.0 111.589 172.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -61.72 -35.3 77.67 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.2 mp -93.58 -38.76 11.2 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 -173.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -140.49 2.31 1.82 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 -172.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 65.32 -172.32 22.53 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.617 1.103 . . . . 10.0 115.262 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -137.95 6.22 2.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.524 1.53 . . . . 10.0 113.567 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.93 -14.56 60.3 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.412 1.264 . . . . 10.0 114.412 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -67.63 -8.74 37.04 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 115.209 1.559 . . . . 10.0 115.209 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 C--O 1.252 1.199 0 C-N-CA 126.017 1.727 . . . . 10.0 111.779 -177.347 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 94.6 t -139.13 126.63 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.633 1.573 . . . . 10.0 109.397 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -27.92 60.59 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.204 1.002 . . . . 10.0 113.493 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -56.28 117.33 3.69 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.765 1.226 . . . . 10.0 111.556 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -156.96 40.2 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.907 1.718 . . . . 10.0 111.618 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -124.46 -12.34 7.27 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.373 1.469 . . . . 10.0 114.279 -171.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -61.5 -34.16 75.02 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.121 1.369 . . . . 10.0 111.721 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.12 -18.51 61.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.153 1.781 . . . . 10.0 115.102 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -83.65 -19.78 34.78 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.267 0.939 . . . . 10.0 113.369 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 18.0 t -77.08 155.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 10.0 110.647 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 48.0 p -128.81 158.11 39.61 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.994 1.317 . . . . 10.0 110.834 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.04 -38.19 82.01 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.752 -0.592 . . . . 10.0 111.546 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.73 -43.8 97.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.851 0.86 . . . . 10.0 112.149 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.28 -48.72 78.63 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 122.956 0.502 . . . . 10.0 110.408 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.14 -51.66 61.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.54 1.136 . . . . 10.0 112.56 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 72.2 m -58.69 -53.33 59.63 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.248 1.019 . . . . 10.0 112.463 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -69.6 -34.76 74.57 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.853 -0.594 . . . . 10.0 112.403 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.79 -41.76 87.08 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.443 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.85 -47.03 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 120.385 1.448 . . . . 10.0 110.72 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -51.47 66.32 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.895 0.878 . . . . 10.0 112.047 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -71.38 -25.29 62.3 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.741 0.816 . . . . 10.0 112.364 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.459 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.3 tp -59.5 -53.78 54.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.036 0.934 . . . . 10.0 108.503 168.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 57.7 t -54.97 -44.55 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.572 1.149 . . . . 10.0 112.723 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -57.65 -32.65 67.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.773 1.027 . . . . 10.0 113.773 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -96.47 -27.81 14.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.085 0.772 . . . . 10.0 113.085 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.83 -47.27 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.325 0.65 . . . . 10.0 110.302 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -146.98 102.19 3.86 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 123.473 0.709 . . . . 10.0 109.923 169.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.9 -7.03 3.01 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 124.937 3.758 . . . . 10.0 117.168 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 82.4 p 58.19 151.99 0.08 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 129.446 3.099 . . . . 10.0 116.498 -170.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.74 -34.89 8.36 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.02 2.48 . . . . 10.0 112.491 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -155.52 158.29 31.82 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 128.151 2.581 . . . . 10.0 109.058 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -68.78 -19.93 40.43 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.594 2.196 . . . . 10.0 113.579 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.53 74.17 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.342 -0.848 . . . . 10.0 113.036 169.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.7 64.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.222 -0.924 . . . . 10.0 113.251 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.25 -26.85 68.28 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.102 0.961 . . . . 10.0 112.541 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -94.89 -17.21 22.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.295 1.438 . . . . 10.0 113.406 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -64.21 143.8 57.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.201 1.0 . . . . 10.0 112.865 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -27.6 44.09 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.664 1.727 . . . . 10.0 115.664 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -71.08 -27.37 63.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.524 1.056 . . . . 10.0 112.715 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -64.97 -24.31 67.48 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.381 0.672 . . . . 10.0 112.502 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.657 -1.277 . . . . 10.0 113.338 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -68.5 -43.92 75.82 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.498 -0.751 . . . . 10.0 111.375 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -47.55 85.54 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.884 1.674 . . . . 10.0 110.961 174.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -59.49 -47.04 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.461 1.904 . . . . 10.0 112.527 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.66 91.93 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.151 -0.968 . . . . 10.0 112.14 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.3 -47.52 83.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.226 1.01 . . . . 10.0 111.732 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.56 95.44 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.543 -0.723 . . . . 10.0 112.452 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.01 -44.76 96.94 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.082 0.855 . . . . 10.0 112.424 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.77 -45.37 90.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.284 1.034 . . . . 10.0 112.23 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.8 -49.2 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.168 0.987 . . . . 10.0 110.665 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -55.11 -46.26 75.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.26 0.937 . . . . 10.0 112.113 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.65 -35.54 91.22 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.71 0.672 . . . . 10.0 114.092 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.86 -37.32 67.42 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.473 1.137 . . . . 10.0 111.849 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 17.4 mmt -72.12 -35.22 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.691 1.196 . . . . 10.0 111.421 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.79 -50.98 70.17 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.372 1.469 . . . . 10.0 111.67 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.89 -25.5 67.2 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.412 -0.805 . . . . 10.0 113.015 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -80.08 2.69 22.97 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.99 54.28 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -7.91 57.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.818 1.247 . . . . 10.0 113.612 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 64.4 p -147.16 161.19 41.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.723 1.609 . . . . 10.0 112.209 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 27.1 ttp-105 -62.32 -38.17 88.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.987 0.915 . . . . 10.0 112.529 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.41 -44.81 95.56 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 10.0 112.355 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.43 -38.4 87.34 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.573 -0.704 . . . . 10.0 112.136 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -58.0 -55.23 37.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.428 1.091 . . . . 10.0 111.829 173.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -53.2 -45.23 68.49 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.734 1.013 . . . . 10.0 113.734 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -59.15 -45.4 91.07 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.133 0.573 . . . . 10.0 111.825 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.91 -42.96 89.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.823 0.849 . . . . 10.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 64.4 mt -55.54 -55.86 27.02 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.173 0.897 . . . . 10.0 110.801 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.73 -32.57 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.968 0.907 . . . . 10.0 113.296 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.72 -43.91 78.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.005 1.275 . . . . 10.0 112.305 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -37.78 82.17 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.261 -0.899 . . . . 10.0 111.691 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' B' ' 607' ' ' LEU . 5.0 mm -59.49 -46.84 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.661 1.185 . . . . 10.0 112.044 170.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.26 -51.11 69.34 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.891 1.276 . . . . 10.0 111.154 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -54.58 -59.0 5.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.585 0.754 . . . . 10.0 111.815 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.66 -45.91 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.239 0.615 . . . . 10.0 111.142 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -68.58 -57.58 5.53 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -13.95 58.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.06 1.504 . . . . 10.0 115.06 -169.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -72.22 -55.65 6.86 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.06 0.846 . . . . 10.0 109.74 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.99 -34.55 78.25 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.695 -0.628 . . . . 10.0 112.521 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.99 -19.5 44.06 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.397 1.258 . . . . 10.0 114.397 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -116.0 -28.48 6.62 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.655 -1.278 . . . . 10.0 113.958 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.64 -24.73 58.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.266 -0.896 . . . . 10.0 113.319 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -136.39 -7.31 1.99 Allowed 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 114.944 1.461 . . . . 10.0 114.944 -171.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -141.24 18.35 2.25 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 42.2 p -51.82 -33.68 36.96 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.731 1.752 . . . . 10.0 115.731 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -70.88 -12.39 61.52 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.254 1.325 0 C-N-CA 128.291 2.636 . . . . 10.0 113.939 -175.277 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 111.48 0.178 . . . . 10.0 111.48 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -143.15 175.59 9.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.109 1.364 . . . . 10.0 112.464 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -137.44 29.47 2.69 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.294 1.437 . . . . 10.0 112.796 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -61.72 156.17 36.35 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.176 0.893 . . . . 10.0 114.411 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -70.29 158.14 36.44 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.001 0.92 . . . . 10.0 112.795 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 3.5 mm -127.19 -13.15 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.254 2.222 . . . . 10.0 112.153 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 63.9 tp -125.45 89.27 52.81 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.249 1.82 . . . . 10.0 109.585 -169.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.2 142.62 20.97 Favored 'Trans proline' 0 C--N 1.353 0.803 1 C-N-CA 125.953 4.436 . . . . 10.0 114.094 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 51.8 p -51.99 -40.96 61.77 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.559 1.689 . . . . 10.0 115.559 -170.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.49 -42.8 95.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.727 0.694 . . . . 10.0 112.659 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.6 mp -76.18 -38.79 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.593 0.757 . . . . 10.0 110.284 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 19.6 ttt -51.97 -56.35 14.77 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.509 1.124 . . . . 10.0 110.961 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -41.01 60.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.558 1.143 . . . . 10.0 113.543 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.06 -44.62 91.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.796 0.838 . . . . 10.0 112.628 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.48 -38.9 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.986 0.812 . . . . 10.0 111.45 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -39.01 90.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.127 -0.983 . . . . 10.0 112.598 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.46 -43.0 77.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.228 1.011 . . . . 10.0 112.586 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.2 -38.41 31.26 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.194 1.553 . . . . 10.0 115.194 -171.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 40.4 p -75.07 -26.74 0.66 Allowed Pre-proline 0 N--CA 1.48 1.036 0 N-CA-C 118.195 2.665 . . . . 10.0 118.195 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.83 172.61 1.09 Allowed 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 124.345 3.364 . . . . 10.0 116.555 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 15.9 t -138.77 153.56 48.44 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.023 1.729 . . . . 10.0 110.547 170.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 61.5 mtt -145.57 168.49 20.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.336 1.454 . . . . 10.0 112.468 -170.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -137.81 167.79 21.0 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.425 1.89 . . . . 10.0 110.886 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -145.26 162.65 36.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.97 1.308 . . . . 10.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -154.45 172.04 18.4 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.092 1.757 . . . . 10.0 112.277 -177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -168.68 28.37 0.15 Allowed Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.442 1.02 . . . . 10.0 115.05 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.4 167.17 15.2 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.113 0.965 . . . . 10.0 113.37 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 43.3 t -149.71 143.75 17.07 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 125.016 1.326 . . . . 10.0 111.461 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -76.39 -8.26 18.35 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.638 2.892 . . . . 10.0 113.693 174.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.5 148.78 47.76 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.44 1.096 . . . . 10.0 112.757 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.083 1.753 . . . . 10.0 111.851 177.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 87.6 mttt . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -36.75 -51.95 0.89 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 129.29 3.036 . . . . 10.0 115.685 -169.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -59.34 -43.83 92.72 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.68 -33.96 64.67 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.775 0.83 . . . . 10.0 111.841 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 3.6 mm -59.42 -49.81 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.952 0.796 . . . . 10.0 110.051 174.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -66.15 -38.46 88.17 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.84 -49.44 76.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.55 1.14 . . . . 10.0 112.592 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.88 -42.46 99.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.775 1.23 . . . . 10.0 111.724 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.22 -43.84 90.19 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.91 0.884 . . . . 10.0 111.869 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 68.7 tp -72.15 -26.72 62.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.102 1.761 . . . . 10.0 113.853 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.85 -42.82 48.33 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.492 1.117 . . . . 10.0 112.929 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.98 -54.29 28.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.293 1.037 . . . . 10.0 111.798 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 52.9 mtt -61.23 -29.48 69.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.751 1.22 . . . . 10.0 113.7 -171.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 6.5 t -65.26 -19.98 66.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.241 1.416 . . . . 10.0 114.293 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.3 m -56.71 -41.6 77.7 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.185 0.994 . . . . 10.0 113.157 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -66.12 -20.64 66.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.634 0.975 . . . . 10.0 113.634 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -79.72 -42.37 24.78 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.325 0.966 . . . . 10.0 111.523 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -61.7 -47.71 84.04 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.821 0.848 . . . . 10.0 112.399 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.12 -13.45 58.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.258 1.423 . . . . 10.0 114.785 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -68.24 -15.83 63.73 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.259 1.024 . . . . 10.0 113.495 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 114.35 37.82 1.17 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.948 1.261 . . . . 10.0 113.72 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -56.75 153.68 10.29 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.917 1.451 . . . . 10.0 114.917 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -147.39 -3.89 0.54 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.45 1.648 . . . . 10.0 115.45 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -151.59 167.87 26.73 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.514 1.126 . . . . 10.0 112.562 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.51 1.924 . . . . 10.0 113.122 176.869 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.47 147.07 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.791 1.636 . . . . 10.0 109.88 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -132.94 -30.47 1.37 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.51 1.524 . . . . 10.0 113.834 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -140.55 166.21 25.35 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 127.224 2.21 . . . . 10.0 110.604 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -145.02 22.27 1.94 Allowed Glycine 0 CA--C 1.536 1.363 0 N-CA-C 115.815 1.086 . . . . 10.0 115.815 -174.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -139.86 -9.34 1.19 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -66.37 -17.39 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.152 -0.968 . . . . 10.0 113.285 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.45 -20.25 29.24 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 116.244 1.942 . . . . 10.0 116.244 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -107.59 -4.59 18.18 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.4 t -74.39 149.09 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.701 1.2 . . . . 10.0 110.657 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 14.8 t -143.3 156.5 44.73 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.029 1.332 . . . . 10.0 111.017 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -58.84 -40.26 83.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.678 0.791 . . . . 10.0 112.484 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.43 -37.23 74.97 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.654 0.782 . . . . 10.0 113.1 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.31 -55.66 19.83 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.348 0.659 . . . . 10.0 110.395 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -53.71 -45.77 70.53 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.133 0.973 . . . . 10.0 111.879 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.7 m -57.21 -53.67 55.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.726 1.21 . . . . 10.0 112.846 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.9 -39.65 87.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.009 -0.432 . . . . 10.0 112.156 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.4 -45.1 94.67 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.69 0.677 . . . . 10.0 111.753 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 44.5 t -57.12 -49.51 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 118.808 0.731 . . . . 10.0 111.151 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -40.55 82.59 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.163 0.892 . . . . 10.0 112.662 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -75.33 -39.18 59.72 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.019 0.928 . . . . 10.0 112.513 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -45.57 89.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 10.0 110.689 169.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.93 -50.44 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.281 1.432 . . . . 10.0 112.963 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.31 -38.74 92.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.353 0.979 . . . . 10.0 112.903 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.19 94.66 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 122.149 -0.344 . . . . 10.0 111.926 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.79 -46.47 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.108 0.963 . . . . 10.0 111.839 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -147.17 112.02 4.08 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.518 0.727 . . . . 10.0 110.311 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -59.41 -6.06 3.76 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.314 3.343 . . . . 10.0 116.868 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.67 151.42 0.14 Allowed Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 127.89 2.476 . . . . 10.0 113.299 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -85.01 -37.39 0.12 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.245 2.63 . . . . 10.0 112.635 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -157.74 154.96 26.04 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.919 2.887 . . . . 10.0 108.841 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.72 -17.89 42.3 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.771 2.314 . . . . 10.0 113.568 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.16 -27.96 69.07 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.37 95.87 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.81 0.844 . . . . 10.0 111.712 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.1 -20.37 17.03 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.557 1.943 . . . . 10.0 114.438 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -118.46 19.63 13.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 10.0 113.535 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -132.37 163.78 27.94 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.003 1.321 . . . . 10.0 112.782 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . 0.428 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 8.4 mpt_? -53.02 -36.01 60.06 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.279 1.832 . . . . 10.0 112.927 -171.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -53.13 -42.56 66.18 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.591 1.556 . . . . 10.0 113.302 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.8 tpt -94.17 -26.85 16.5 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.283 0.633 . . . . 10.0 112.262 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -53.45 -36.24 61.38 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.346 0.976 . . . . 10.0 112.421 169.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -62.76 -44.37 96.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.413 -0.805 . . . . 10.0 112.641 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.24 -48.55 75.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.17 1.388 . . . . 10.0 110.888 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.35 -43.7 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 126.288 1.835 . . . . 10.0 112.161 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.54 85.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.492 1.117 . . . . 10.0 112.084 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.72 -46.57 81.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.216 1.006 . . . . 10.0 111.895 170.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.7 76.49 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.433 -0.794 . . . . 10.0 111.408 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.77 -46.36 90.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.603 1.092 . . . . 10.0 113.331 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.61 -47.68 81.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.204 1.402 . . . . 10.0 111.675 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.6 t -79.79 -35.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.772 -0.632 . . . . 10.0 111.79 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.29 -40.71 71.39 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.416 1.462 . . . . 10.0 111.414 172.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.26 -34.23 88.94 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.161 0.886 . . . . 10.0 114.212 171.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.28 -39.33 74.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.83 1.315 . . . . 10.0 111.692 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.3 mmt -66.59 -43.42 84.95 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.542 1.137 . . . . 10.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -59.58 -50.11 75.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.498 1.519 . . . . 10.0 112.866 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.02 -24.76 66.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.245 -0.909 . . . . 10.0 113.126 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.2 m -82.28 -34.34 28.75 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.967 1.099 . . . . 10.0 113.967 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.91 122.37 19.84 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.203 1.186 . . . . 10.0 114.203 -170.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -17.79 64.29 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.646 0.98 . . . . 10.0 113.646 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 86.1 p -149.04 163.39 37.66 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.256 1.422 . . . . 10.0 113.008 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -53.39 -46.71 69.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.89 1.676 . . . . 10.0 112.717 173.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.8 -32.02 67.18 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.11 -39.59 78.84 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.365 0.984 . . . . 10.0 111.719 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.84 -54.68 44.14 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.752 0.821 . . . . 10.0 111.478 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.61 -44.68 77.25 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 114.008 1.114 . . . . 10.0 114.008 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.63 -43.05 89.59 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.149 0.886 . . . . 10.0 111.824 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.75 -45.09 91.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.321 1.049 . . . . 10.0 112.648 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.883 0.765 . . . . 10.0 112.254 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.54 74.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.816 0.846 . . . . 10.0 112.16 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.27 -40.96 97.05 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.423 -0.798 . . . . 10.0 111.351 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -45.97 91.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.196 0.907 . . . . 10.0 112.0 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.82 -56.95 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.413 1.006 . . . . 10.0 110.088 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -56.34 -45.19 80.52 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.017 0.927 . . . . 10.0 112.04 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.14 -45.26 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.872 1.214 . . . . 10.0 109.905 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -62.12 -50.36 72.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.337 0.655 . . . . 10.0 111.85 -171.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -71.68 -30.49 65.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.164 1.386 . . . . 10.0 113.715 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -71.21 -54.4 11.1 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.403 0.547 . . . . 10.0 111.575 170.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.09 -33.31 75.73 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.081 -1.012 . . . . 10.0 113.077 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -63.51 -3.74 2.34 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.535 1.68 . . . . 10.0 115.535 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.64 -32.9 2.82 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.652 1.114 . . . . 10.0 113.403 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.17 -26.63 64.0 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -125.77 3.67 7.44 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.478 1.511 . . . . 10.0 114.321 -170.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -130.2 11.71 5.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.477 1.511 . . . . 10.0 113.728 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 78.3 p -59.37 -20.33 53.89 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.551 1.54 . . . . 10.0 115.139 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -70.54 -7.35 43.17 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.668 1.587 . . . . 10.0 114.395 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.206 1.803 . . . . 10.0 111.898 -173.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.745 0.307 . . . . 10.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -72.27 -9.31 58.3 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.021 1.489 . . . . 10.0 115.021 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -143.78 -34.11 0.4 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.379 1.622 . . . . 10.0 115.379 -174.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 141.85 -175.64 22.46 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.775 1.178 . . . . 10.0 114.049 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -145.93 158.44 43.86 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.716 1.606 . . . . 10.0 110.385 176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 31.6 mm -58.93 -28.3 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.556 0.742 . . . . 10.0 112.35 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 52.4 tp -124.01 85.03 54.62 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.686 1.994 . . . . 10.0 108.097 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.75 141.09 16.51 Favored 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 125.673 4.249 . . . . 10.0 113.663 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.4 p -54.21 -35.84 62.82 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 -170.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.59 -43.56 76.2 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.122 0.874 . . . . 10.0 112.934 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.76 -38.28 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.216 0.607 . . . . 10.0 110.097 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 18.4 ttt -53.64 -55.65 24.06 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.793 0.837 . . . . 10.0 110.47 174.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.24 -37.65 72.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.125 0.97 . . . . 10.0 113.3 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.68 -50.99 71.29 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.488 0.585 . . . . 10.0 112.038 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 15.7 t -63.18 -41.24 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.98 0.809 . . . . 10.0 111.219 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.55 -26.51 67.16 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.421 0.897 . . . . 10.0 113.421 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -78.4 -37.13 44.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.656 1.182 . . . . 10.0 113.375 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -80.17 -39.2 29.77 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.145 1.165 . . . . 10.0 114.145 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 23.9 p -73.57 -33.85 2.01 Favored Pre-proline 0 N--CA 1.477 0.914 0 N-CA-C 117.677 2.473 . . . . 10.0 117.677 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -94.21 174.57 1.4 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.245 2.63 . . . . 10.0 113.315 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 46.3 m -67.55 161.89 24.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.122 0.969 . . . . 10.0 111.049 168.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 47.1 ttm -146.96 143.67 28.63 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.359 -0.838 . . . . 10.0 112.049 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.77 -8.69 22.66 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -55.59 -20.24 12.89 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.152 1.381 . . . . 10.0 114.389 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.58 -23.16 66.87 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 148.71 158.42 8.02 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.441 1.496 . . . . 10.0 113.576 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -71.93 166.38 22.27 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.814 1.042 . . . . 10.0 113.814 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 23.0 t -144.43 89.13 6.99 Favored Pre-proline 0 N--CA 1.473 0.715 0 C-N-CA 125.294 1.438 . . . . 10.0 110.463 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.92 161.63 4.61 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.569 3.512 . . . . 10.0 115.156 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -138.8 164.57 29.27 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.949 1.7 . . . . 10.0 111.768 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.255 1.371 0 C-N-CA 125.961 1.705 . . . . 10.0 113.572 -179.849 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.37 -0.348 . . . . 10.0 110.638 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -155.58 -71.62 0.12 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.554 0.616 . . . . 10.0 112.127 169.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -58.59 -59.25 5.68 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.372 1.469 . . . . 10.0 113.121 -171.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.73 -32.94 72.18 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.769 0.828 . . . . 10.0 113.11 -174.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.64 -50.87 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.217 1.007 . . . . 10.0 111.054 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -71.53 -37.45 71.17 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 119.088 -0.482 . . . . 10.0 111.979 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -57.73 -47.45 82.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.236 1.015 . . . . 10.0 112.728 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.34 -44.81 96.56 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 10.0 111.93 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -66.42 -46.1 77.67 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.592 0.757 . . . . 10.0 111.689 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.45 -21.08 59.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.379 1.471 . . . . 10.0 113.447 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.98 -32.3 53.55 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.302 0.955 . . . . 10.0 113.406 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.54 -52.35 16.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.65 0.78 . . . . 10.0 110.75 169.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . 0.434 ' HA ' ' CE1' ' B' ' 650' ' ' TYR . 61.0 mtt -61.08 -24.19 66.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.21 1.804 . . . . 10.0 114.58 -171.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 92.6 p -59.97 -27.57 66.94 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 12.7 m -56.68 -42.2 78.62 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.148 0.979 . . . . 10.0 113.516 -171.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -26.78 68.65 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 177.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -77.85 -43.71 29.47 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.495 0.718 . . . . 10.0 110.947 171.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.3 -36.84 82.34 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.163 -0.96 . . . . 10.0 112.994 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.13 -8.25 43.65 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.572 1.149 . . . . 10.0 113.731 171.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -116.02 -31.3 5.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.076 1.75 . . . . 10.0 113.295 -175.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -101.49 -6.83 49.92 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.12 1.819 . . . . 10.0 115.184 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -110.57 13.84 22.54 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.669 1.187 . . . . 10.0 112.75 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -60.94 149.67 35.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.314 1.045 . . . . 10.0 111.752 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -139.33 8.46 2.44 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.421 1.267 . . . . 10.0 114.421 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.167 1.787 . . . . 10.0 111.638 -176.662 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.316 0 CA-C-O 119.573 -0.57 . . . . 10.0 111.728 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 39.5 t -85.06 125.09 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 118.369 1.084 . . . . 10.0 110.811 -172.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.34 138.18 36.67 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.186 0.994 . . . . 10.0 110.401 172.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -131.45 15.22 4.99 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.041 1.337 . . . . 10.0 114.007 -169.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 80.12 -46.11 3.12 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.485 1.517 . . . . 10.0 114.543 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -66.4 -16.08 63.8 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -57.67 -27.81 63.2 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.892 1.277 . . . . 10.0 113.579 -171.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -20.86 64.41 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -80.65 3.21 22.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.196 0.999 . . . . 10.0 113.508 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.25 144.49 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.921 1.688 . . . . 10.0 110.197 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 61.2 p -131.4 164.42 25.74 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.075 1.75 . . . . 10.0 110.697 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -36.41 79.08 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.484 -0.76 . . . . 10.0 112.243 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.52 -43.9 95.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.707 0.803 . . . . 10.0 111.773 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.31 -48.78 76.62 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.719 0.407 . . . . 10.0 110.907 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.09 -47.69 71.49 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.707 1.203 . . . . 10.0 112.696 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.9 m -56.55 -51.79 67.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.395 1.078 . . . . 10.0 111.698 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -72.1 -40.59 68.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.15 -49.51 75.55 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.487 1.039 . . . . 10.0 111.859 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.65 -45.1 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.277 0.944 . . . . 10.0 110.638 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.1 -50.72 72.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.699 0.681 . . . . 10.0 112.603 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.808 0.843 . . . . 10.0 112.989 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.612 ' HG ' HD11 ' B' ' 657' ' ' ILE . 1.8 tt -59.98 -50.69 72.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.553 1.141 . . . . 10.0 110.324 170.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.55 -43.13 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.158 0.983 . . . . 10.0 113.013 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -62.83 -40.0 96.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.251 0.932 . . . . 10.0 112.981 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.42 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -65.45 -42.2 92.59 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.737 -0.602 . . . . 10.0 111.716 173.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 77.3 mt -61.47 -44.96 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.606 1.162 . . . . 10.0 111.415 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -144.72 112.02 4.93 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.455 0.702 . . . . 10.0 110.383 169.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -57.02 -10.12 5.35 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.602 3.535 . . . . 10.0 117.506 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 75.6 148.79 0.12 Allowed Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 127.764 2.425 . . . . 10.0 113.67 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -85.57 -35.97 0.14 Allowed 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.636 2.891 . . . . 10.0 112.969 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -158.89 155.65 25.09 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 128.858 2.863 . . . . 10.0 108.773 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.39 -17.5 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.799 2.333 . . . . 10.0 113.648 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.21 71.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.709 0.804 . . . . 10.0 113.039 169.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -64.28 -35.22 80.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.312 -0.868 . . . . 10.0 112.201 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.36 -8.17 8.21 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.156 1.383 . . . . 10.0 113.81 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -119.1 15.04 13.21 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.019 2.128 . . . . 10.0 112.185 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -116.31 142.31 47.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.786 1.635 . . . . 10.0 111.561 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -20.84 59.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -177.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -67.23 -41.08 86.3 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.497 1.044 . . . . 10.0 111.827 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.6 tpt -74.62 -31.07 61.87 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.817 0.847 . . . . 10.0 112.006 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.04 -31.54 63.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.153 -0.967 . . . . 10.0 113.581 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.02 -44.25 94.72 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.369 -0.832 . . . . 10.0 111.914 171.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.24 -42.99 78.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.066 0.946 . . . . 10.0 111.446 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.25 -43.33 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.393 1.077 . . . . 10.0 111.865 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.27 68.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.702 1.201 . . . . 10.0 112.963 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.478 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.34 -42.34 95.48 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.073 0.851 . . . . 10.0 111.322 172.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.13 86.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.398 -0.81 . . . . 10.0 111.388 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.49 -43.34 89.0 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.618 1.099 . . . . 10.0 112.754 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.35 -49.4 77.72 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.556 1.142 . . . . 10.0 111.953 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.78 -38.46 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 122.959 0.504 . . . . 10.0 111.874 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.18 -42.05 72.7 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.701 1.137 . . . . 10.0 111.477 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.28 -31.54 80.85 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.378 0.989 . . . . 10.0 114.12 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.5 -37.13 60.36 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.822 1.311 . . . . 10.0 111.757 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 26.3 mmt -65.33 -41.54 93.87 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.269 1.027 . . . . 10.0 110.958 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.61 -44.69 95.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.471 1.509 . . . . 10.0 112.933 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.0 -29.78 70.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.259 -0.901 . . . . 10.0 112.574 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.7 t -76.66 -40.1 50.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.993 0.917 . . . . 10.0 113.183 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -67.83 136.95 54.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -79.25 -14.72 58.86 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.054 1.741 . . . . 10.0 113.338 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 59.7 p -152.98 164.19 38.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.613 1.565 . . . . 10.0 111.774 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -58.81 -41.7 87.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.459 0.703 . . . . 10.0 112.248 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -71.44 -32.47 68.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.899 0.48 . . . . 10.0 111.992 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.28 -39.51 82.09 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.453 -0.779 . . . . 10.0 111.824 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.48 -52.09 66.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.772 0.829 . . . . 10.0 111.336 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' ' 303' ' ' MET . 0.9 OUTLIER -51.97 -48.75 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 170.345 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -62.08 -40.05 94.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.15 0.58 . . . . 10.0 112.27 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.07 -41.91 90.12 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.488 1.115 . . . . 10.0 112.686 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.56 -48.17 81.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.768 0.713 . . . . 10.0 111.424 171.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.05 -30.06 66.13 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.26 -43.65 94.17 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.178 -0.952 . . . . 10.0 111.498 170.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -58.23 -38.97 77.88 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 10.0 112.23 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.612 HD11 ' HG ' ' B' ' 607' ' ' LEU . 18.8 mm -66.71 -45.31 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.797 -0.565 . . . . 10.0 112.447 174.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.0 -48.79 80.24 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.125 0.875 . . . . 10.0 111.721 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -54.38 11.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.299 2.239 . . . . 10.0 112.045 173.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.58 -51.55 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.339 0.655 . . . . 10.0 111.085 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.51 -47.79 80.25 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.922 -0.486 . . . . 10.0 112.309 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.2 mmpt? -71.14 -32.3 68.79 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.49 0.716 . . . . 10.0 112.88 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.36 -48.64 64.25 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.493 0.317 . . . . 10.0 111.611 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.11 -32.88 74.8 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.934 -1.104 . . . . 10.0 112.875 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -62.61 -6.81 3.82 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -108.23 -49.71 3.15 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.817 1.647 . . . . 10.0 110.984 169.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -67.36 -14.17 62.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.608 1.336 . . . . 10.0 114.608 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -117.52 4.47 12.43 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.685 1.994 . . . . 10.0 112.94 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -62.17 -15.27 44.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.698 1.599 . . . . 10.0 114.063 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 31.5 p -60.99 -20.65 62.7 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.39 1.876 . . . . 10.0 114.722 170.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -65.55 104.64 1.04 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.467 1.107 . . . . 10.0 111.11 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 65.6 mt . . . . . 0 C--O 1.254 1.311 0 C-N-CA 125.617 1.567 . . . . 10.0 112.861 178.1 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.945 0.402 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -150.03 152.54 35.02 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.18 1.392 . . . . 10.0 111.57 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -68.68 -15.84 63.64 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 76.37 -164.21 53.33 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 119.279 0.945 . . . . 10.0 113.57 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -140.41 121.92 15.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.858 1.263 . . . . 10.0 111.103 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 47.1 mt -74.63 -18.05 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.159 1.384 . . . . 10.0 113.424 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.4 tp -128.22 77.85 76.31 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.173 1.789 . . . . 10.0 109.294 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.478 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 41.8 Cg_exo -41.62 134.94 3.4 Favored 'Trans proline' 0 C--N 1.352 0.722 1 C-N-CA 126.202 4.601 . . . . 10.0 114.013 177.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.5 m -55.04 -37.07 66.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.319 1.599 . . . . 10.0 115.319 -169.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.56 -37.66 82.99 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.704 0.684 . . . . 10.0 112.768 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.95 -43.05 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.883 0.873 . . . . 10.0 110.654 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 61.7 ttp -54.46 -51.8 63.86 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.447 0.699 . . . . 10.0 110.509 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -55.07 -38.71 68.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.394 1.478 . . . . 10.0 113.668 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -64.75 -52.54 56.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.098 0.959 . . . . 10.0 111.721 171.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.46 -39.99 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.436 -0.79 . . . . 10.0 111.621 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.93 -34.52 78.31 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.331 -0.856 . . . . 10.0 112.908 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -80.04 -31.91 39.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.9 1.074 . . . . 10.0 113.9 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -73.82 -41.06 62.86 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 18.9 p -68.56 -36.17 7.95 Favored Pre-proline 0 N--CA 1.476 0.852 0 N-CA-C 116.797 2.147 . . . . 10.0 116.797 -171.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -80.24 66.16 8.83 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 124.114 3.209 . . . . 10.0 111.655 173.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 75.1 p -62.76 17.84 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 128.281 2.632 . . . . 10.0 117.521 -174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 89.8 mtp -64.72 150.9 46.42 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.473 -1.392 . . . . 10.0 112.54 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -131.74 -2.5 3.74 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.092 1.357 . . . . 10.0 114.194 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.22 156.01 37.38 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.192 0.997 . . . . 10.0 113.018 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 56.6 tp -152.18 -46.68 0.1 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.135 0.974 . . . . 10.0 113.608 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 173.54 40.28 0.04 OUTLIER Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.392 0.917 . . . . 10.0 115.392 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -70.1 166.19 20.38 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.984 0.914 . . . . 10.0 113.188 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 9.2 t -142.52 70.5 21.03 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.17 1.388 . . . . 10.0 110.984 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.23 168.7 23.43 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.83 3.02 . . . . 10.0 112.99 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -72.79 -8.3 54.83 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.325 1.232 . . . . 10.0 114.325 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.254 1.324 0 C-N-CA 127.172 2.189 . . . . 10.0 114.689 -176.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 111.743 0.275 . . . . 10.0 111.743 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -32.43 -57.05 0.34 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 129.625 3.17 . . . . 10.0 116.237 -169.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -65.5 -58.2 6.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.369 0.668 . . . . 10.0 112.067 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -60.9 -32.92 72.37 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.874 0.87 . . . . 10.0 112.574 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 6.1 mm -54.54 -55.7 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.405 1.002 . . . . 10.0 110.719 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -69.59 -41.63 75.53 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.072 0.549 . . . . 10.0 111.741 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -52.42 -48.2 65.89 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.88 1.672 . . . . 10.0 112.329 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.9 tp -77.47 -37.98 50.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.515 0.726 . . . . 10.0 112.715 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.71 -40.96 92.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.457 -0.777 . . . . 10.0 112.04 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.92 -34.49 74.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.528 1.531 . . . . 10.0 113.175 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.2 mt -58.62 -36.14 73.58 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.598 0.759 . . . . 10.0 112.799 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.59 -53.44 7.19 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.644 0.656 . . . . 10.0 110.219 168.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 38.0 ttm -55.13 -29.46 57.76 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.558 1.143 . . . . 10.0 114.063 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -58.31 -25.09 61.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.467 1.284 . . . . 10.0 114.467 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 8.4 m -59.59 -39.15 83.2 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.585 1.084 . . . . 10.0 113.605 -172.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.18 -24.22 66.6 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.38 0.882 . . . . 10.0 113.38 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -80.02 -45.3 18.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.509 1.123 . . . . 10.0 111.689 170.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.08 -38.7 71.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.269 1.028 . . . . 10.0 112.918 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.3 mp -77.4 -3.62 41.13 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.009 1.485 . . . . 10.0 115.009 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.98 -28.95 69.38 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.083 1.31 . . . . 10.0 113.885 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 157.82 165.47 15.44 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.056 0.836 . . . . 10.0 114.795 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.06 -13.07 0.22 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.914 1.449 . . . . 10.0 114.914 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -145.85 58.46 1.24 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.55 1.54 . . . . 10.0 109.825 173.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -62.33 -24.17 67.18 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.002 1.112 . . . . 10.0 114.002 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 C--O 1.254 1.321 0 C-N-CA 126.22 1.808 . . . . 10.0 111.589 172.287 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 112.242 -0.343 . . . . 10.0 112.242 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 39.0 t -130.59 -28.43 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 124.797 1.239 . . . . 10.0 112.722 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -148.49 159.9 43.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.782 1.633 . . . . 10.0 111.189 -173.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -50.33 -45.43 54.89 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.027 1.731 . . . . 10.0 114.654 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 73.83 -50.8 1.88 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 126.043 1.782 . . . . 10.0 115.372 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 35.2 p-90 -61.43 -19.78 62.35 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -60.63 -24.84 65.84 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.856 1.262 . . . . 10.0 112.68 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.74 -5.32 39.96 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.956 1.302 . . . . 10.0 113.572 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -114.68 20.15 15.48 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.928 2.091 . . . . 10.0 112.214 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.46 134.51 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 126.508 1.923 . . . . 10.0 109.357 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 80.5 p -100.29 159.11 15.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.448 1.099 . . . . 10.0 111.4 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.53 -35.84 76.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.403 -0.81 . . . . 10.0 111.532 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.49 -37.62 88.0 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.652 -0.655 . . . . 10.0 112.414 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 40.1 tp -63.46 -46.89 84.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 118.91 -0.567 . . . . 10.0 111.336 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -55.81 -50.63 69.98 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.044 0.838 . . . . 10.0 111.789 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.5 m -56.82 -53.56 56.41 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.018 0.927 . . . . 10.0 112.728 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.86 -38.62 86.69 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.958 -0.544 . . . . 10.0 111.896 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.23 -44.39 95.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.441 -1.266 . . . . 10.0 112.07 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.9 -49.03 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 120.576 1.535 . . . . 10.0 110.747 171.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -41.78 69.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.602 0.761 . . . . 10.0 112.829 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -82.62 -30.91 29.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.829 0.851 . . . . 10.0 113.018 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.544 ' HG ' HD11 ' B' ' 657' ' ' ILE . 3.6 tp -58.72 -47.92 82.94 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.386 1.074 . . . . 10.0 108.42 169.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 54.7 t -54.8 -45.65 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 10.0 112.264 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -62.37 -39.62 93.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.974 1.261 . . . . 10.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -73.0 -29.23 62.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 53.4 mt -68.28 -55.06 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.598 -0.689 . . . . 10.0 109.834 170.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 8.6 t80 -150.14 118.49 3.64 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.482 1.113 . . . . 10.0 110.823 172.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -61.04 -8.42 9.87 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.892 3.062 . . . . 10.0 117.127 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.0 148.72 0.12 Allowed Pre-proline 0 N--CA 1.48 1.036 0 C-N-CA 127.522 2.329 . . . . 10.0 113.472 -172.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -87.47 -37.23 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.466 2.777 . . . . 10.0 112.928 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -160.17 158.07 25.67 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 128.821 2.848 . . . . 10.0 108.976 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.61 -22.87 37.37 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.603 2.202 . . . . 10.0 113.137 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -63.2 -21.66 66.36 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 171.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.28 -50.4 22.41 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.407 -0.808 . . . . 10.0 111.775 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.83 -16.02 64.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.67 -6.01 52.4 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.378 1.871 . . . . 10.0 113.509 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -123.17 153.33 40.18 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.848 1.259 . . . . 10.0 113.538 -171.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -55.55 -31.82 62.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.254 1.422 . . . . 10.0 113.33 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -51.58 -47.25 63.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.587 1.155 . . . . 10.0 112.671 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.6 tpt -81.78 -30.6 32.23 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.675 0.79 . . . . 10.0 112.245 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -55.37 -32.16 62.35 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 113.566 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -56.89 -47.28 80.85 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.864 0.866 . . . . 10.0 112.023 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.94 -40.34 75.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.343 1.457 . . . . 10.0 111.767 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.74 -44.41 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.06 1.344 . . . . 10.0 111.924 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.381 1.072 . . . . 10.0 112.155 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 -45.9 84.57 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.475 1.11 . . . . 10.0 111.548 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.24 99.49 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.742 0.817 . . . . 10.0 112.4 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -44.02 96.54 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.899 0.772 . . . . 10.0 112.312 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.92 -44.3 93.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.914 0.886 . . . . 10.0 112.173 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.4 -51.14 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.758 0.823 . . . . 10.0 110.692 172.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.04 -46.56 71.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.95 0.795 . . . . 10.0 112.213 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.05 90.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.907 0.765 . . . . 10.0 114.108 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.33 -34.91 65.91 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.79 1.295 . . . . 10.0 111.818 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 31.8 mmt -71.71 -39.18 70.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.097 0.959 . . . . 10.0 110.989 174.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -62.41 -48.18 80.84 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.241 1.417 . . . . 10.0 112.673 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.0 -27.7 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.816 -1.178 . . . . 10.0 113.117 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -79.84 -32.51 40.57 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.045 1.128 . . . . 10.0 114.045 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.33 24.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.781 1.401 . . . . 10.0 114.781 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -116.28 -5.73 11.82 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.741 2.016 . . . . 10.0 112.448 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.3 p -152.54 163.49 39.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.996 1.718 . . . . 10.0 111.579 169.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.22 -41.69 96.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.575 0.75 . . . . 10.0 112.988 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.05 -33.5 75.64 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.25 -39.48 71.61 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.259 -0.901 . . . . 10.0 111.641 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.71 -52.7 64.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.649 1.18 . . . . 10.0 111.738 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -49.86 -47.99 51.43 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 169.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -61.39 -41.71 97.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.947 0.794 . . . . 10.0 112.314 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.73 -44.83 88.92 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.956 0.903 . . . . 10.0 112.685 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 61.8 mt -55.8 -54.3 46.2 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.295 0.952 . . . . 10.0 110.832 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.45 -29.46 69.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.884 0.874 . . . . 10.0 112.511 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.79 -46.91 83.06 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.055 1.298 . . . . 10.0 111.757 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -66.0 -41.1 91.49 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.748 -0.595 . . . . 10.0 110.782 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.544 HD11 ' HG ' ' B' ' 607' ' ' LEU . 15.4 mm -57.86 -40.81 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 123.671 0.788 . . . . 10.0 111.591 169.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.36 -47.31 76.86 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 119.459 1.027 . . . . 10.0 111.397 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -52.0 -59.4 4.4 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.36 0.982 . . . . 10.0 110.485 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 67.0 mt -55.52 -55.38 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.424 0.689 . . . . 10.0 111.416 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -65.62 -51.23 61.16 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.351 -0.843 . . . . 10.0 112.622 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . 0.408 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 0.3 OUTLIER -68.79 -39.0 80.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.449 1.1 . . . . 10.0 112.289 -171.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.61 -52.87 59.03 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.549 1.14 . . . . 10.0 111.42 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.7 mp -55.31 -42.14 73.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.451 0.7 . . . . 10.0 112.694 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.66 -15.88 9.02 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.85 1.426 . . . . 10.0 114.85 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -119.45 -34.94 3.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.859 1.059 . . . . 10.0 113.859 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -73.36 -8.04 54.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -115.39 -31.12 6.04 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 119.854 1.206 . . . . 10.0 113.425 169.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -63.05 -30.93 71.98 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.685 1.194 . . . . 10.0 113.613 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 84.3 p -83.78 -5.07 59.11 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.53 10.15 14.44 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.607 1.563 . . . . 10.0 113.142 -170.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--O 1.252 1.198 0 C-N-CA 125.986 1.714 . . . . 10.0 112.771 177.078 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -141.16 31.07 1.76 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.702 1.201 . . . . 10.0 112.281 -174.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -73.12 7.32 2.19 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.893 1.812 . . . . 10.0 115.893 -170.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -50.34 -33.62 24.44 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 120.39 -1.443 . . . . 10.0 115.298 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -64.78 -15.11 61.21 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.624 1.342 . . . . 10.0 114.624 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 27.2 mm -60.39 -27.27 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.125 0.97 . . . . 10.0 113.062 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.5 tp -129.84 83.84 62.76 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.446 1.498 . . . . 10.0 110.139 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.63 143.56 16.07 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 125.247 3.965 . . . . 10.0 113.364 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 45.0 p -58.03 -32.29 67.82 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.61 -45.38 68.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.484 0.713 . . . . 10.0 112.643 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.42 -37.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.081 0.552 . . . . 10.0 109.623 173.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 21.4 ttt -57.38 -55.51 33.81 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.329 -0.857 . . . . 10.0 111.374 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.47 -31.82 70.81 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.4 -57.52 9.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.298 0.639 . . . . 10.0 110.634 170.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.16 -34.63 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.113 -0.992 . . . . 10.0 113.375 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.37 -40.49 97.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.578 1.536 . . . . 10.0 111.361 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -79.96 -36.66 35.81 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.01 1.724 . . . . 10.0 114.96 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . 0.422 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 98.6 m-20 -65.24 -50.87 64.17 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -169.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -47.81 2.42 Favored Pre-proline 0 N--CA 1.476 0.854 0 N-CA-C 114.746 1.388 . . . . 10.0 114.746 -169.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -90.25 -66.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 122.083 1.855 . . . . 10.0 113.725 -170.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 67.4 m -158.81 165.47 34.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.125 2.17 . . . . 10.0 110.764 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -6.07 0.3 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 117.485 2.402 . . . . 10.0 117.485 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -57.84 153.76 13.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.87 1.268 . . . . 10.0 112.545 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -136.26 166.41 23.49 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.408 1.083 . . . . 10.0 113.068 -169.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.71 115.11 6.16 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.769 1.227 . . . . 10.0 110.255 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -172.43 32.07 0.12 Allowed Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.441 1.02 . . . . 10.0 114.518 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.6 -17.19 62.3 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.862 1.265 . . . . 10.0 114.089 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 83.4 p -147.37 167.95 12.39 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.28 1.432 . . . . 10.0 112.701 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -59.25 -7.04 4.49 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 124.415 3.41 . . . . 10.0 116.609 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.15 -10.89 60.25 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.887 1.44 . . . . 10.0 114.887 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.372 1.869 . . . . 10.0 114.509 179.045 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 119.006 -0.521 . . . . 10.0 111.76 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -46.05 -45.04 15.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.682 1.593 . . . . 10.0 114.906 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -54.66 -53.0 60.57 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.355 1.062 . . . . 10.0 112.448 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -38.22 86.61 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.955 0.798 . . . . 10.0 112.243 177.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 4.6 mm -59.86 -48.03 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.645 0.657 . . . . 10.0 110.749 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -64.98 -41.65 95.24 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 119.011 -0.519 . . . . 10.0 111.842 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.98 -46.81 78.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.851 1.26 . . . . 10.0 112.809 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.02 -43.53 98.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 10.0 111.929 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.16 -45.0 74.71 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.319 0.58 . . . . 10.0 111.558 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.22 -23.39 62.0 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.584 1.953 . . . . 10.0 113.1 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.23 -41.58 75.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.509 1.124 . . . . 10.0 112.524 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.32 -50.76 62.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.147 0.43 . . . . 10.0 111.118 169.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 65.3 mtt -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.834 0.854 . . . . 10.0 113.253 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 50.6 m -63.8 -20.17 65.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.172 1.789 . . . . 10.0 114.475 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 63.0 m -58.25 -25.14 61.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.547 1.539 . . . . 10.0 114.834 -171.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.25 -32.17 47.12 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -79.92 -24.91 40.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.535 1.134 . . . . 10.0 113.509 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -79.81 -29.7 40.34 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.651 1.18 . . . . 10.0 113.101 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.01 -25.08 60.66 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.318 1.047 . . . . 10.0 113.462 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.54 -14.22 60.6 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.54 1.936 . . . . 10.0 114.066 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -144.75 31.77 1.75 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.886 1.708 . . . . 10.0 113.213 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -62.99 -19.38 64.27 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.936 1.828 . . . . 10.0 115.936 -175.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -66.77 149.34 50.69 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.202 1.001 . . . . 10.0 113.073 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -144.31 14.31 1.63 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.919 1.288 . . . . 10.0 113.936 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.254 1.302 0 C-N-CA 126.256 1.822 . . . . 10.0 112.615 -178.156 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 112.082 -0.407 . . . . 10.0 112.082 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 1.8 t -131.94 26.19 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 125.777 1.631 . . . . 10.0 111.113 -172.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -54.46 -25.86 27.7 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 116.695 2.109 . . . . 10.0 116.695 -169.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -110.46 4.78 20.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.07 1.348 . . . . 10.0 113.293 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 79.74 -45.15 2.87 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.912 1.72 . . . . 10.0 115.487 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -66.31 -9.96 38.04 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.54 -25.51 64.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.079 1.352 . . . . 10.0 113.32 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.54 -20.84 49.74 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -86.41 2.96 45.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.687 1.195 . . . . 10.0 113.548 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.85 158.19 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.932 1.693 . . . . 10.0 111.121 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 5.4 t -139.31 158.99 43.2 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.339 1.856 . . . . 10.0 110.36 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -56.61 -31.25 64.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.952 0.901 . . . . 10.0 112.522 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.13 -40.35 95.63 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.857 0.863 . . . . 10.0 112.651 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.7 -51.09 62.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.346 1.059 . . . . 10.0 110.962 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -60.76 -40.26 91.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.806 0.842 . . . . 10.0 112.881 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.6 m -55.74 -49.46 73.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.062 0.945 . . . . 10.0 112.044 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.15 -36.2 71.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.614 0.766 . . . . 10.0 112.308 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.17 -44.88 95.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.439 -0.791 . . . . 10.0 112.307 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.11 -49.61 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.402 1.001 . . . . 10.0 110.388 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -45.72 73.18 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.271 0.628 . . . . 10.0 112.477 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.0 -40.83 52.86 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.386 1.474 . . . . 10.0 113.181 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.79 -47.72 76.59 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.674 1.59 . . . . 10.0 109.023 169.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.24 -38.78 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 117.938 -1.029 . . . . 10.0 113.65 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -60.31 -39.54 87.36 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.721 1.6 . . . . 10.0 112.898 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.92 72.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.687 -0.633 . . . . 10.0 112.707 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.6 mt -65.71 -43.66 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.322 1.049 . . . . 10.0 111.201 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -146.67 109.35 4.12 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.73 0.812 . . . . 10.0 111.003 170.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -60.39 -8.37 8.56 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.391 3.394 . . . . 10.0 117.307 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 43.1 p 66.2 152.6 0.12 Allowed Pre-proline 0 N--CA 1.486 1.331 0 C-N-CA 128.935 2.894 . . . . 10.0 115.567 -174.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.85 -28.21 3.44 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.833 2.355 . . . . 10.0 112.097 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -159.88 159.52 27.34 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 126.772 2.029 . . . . 10.0 110.872 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.31 -7.39 19.64 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.656 2.238 . . . . 10.0 115.02 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -90.16 -26.31 20.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.89 1.223 . . . . 10.0 112.211 170.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.82 64.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.612 1.096 . . . . 10.0 112.734 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 51.5 mt -54.91 -32.69 61.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.11 1.364 . . . . 10.0 113.98 171.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -87.12 -12.17 47.89 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.943 1.297 . . . . 10.0 113.833 -170.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -102.94 159.91 15.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.638 0.977 . . . . 10.0 113.638 -173.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.61 54.14 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.218 1.807 . . . . 10.0 113.245 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -52.47 -30.9 32.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.945 1.298 . . . . 10.0 113.856 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.4 tpt -96.2 -35.69 11.2 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.616 1.166 . . . . 10.0 112.16 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -56.54 -29.29 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.255 -0.903 . . . . 10.0 113.087 173.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -57.78 -43.34 85.48 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.226 -0.921 . . . . 10.0 113.108 171.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.52 -45.94 61.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.686 1.194 . . . . 10.0 111.017 174.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.77 -41.18 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.104 0.962 . . . . 10.0 112.265 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.47 96.01 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.788 1.235 . . . . 10.0 112.772 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.466 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.68 -41.84 91.98 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.574 -0.704 . . . . 10.0 111.094 172.145 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.88 86.88 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.132 -0.98 . . . . 10.0 113.147 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -61.9 -45.87 91.84 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.37 0.987 . . . . 10.0 111.933 171.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.84 -44.79 93.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.353 1.061 . . . . 10.0 112.11 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.24 -47.69 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.697 0.799 . . . . 10.0 111.337 174.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -52.22 -52.11 54.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.648 1.113 . . . . 10.0 111.629 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.89 -12.39 42.26 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.488 1.042 . . . . 10.0 115.428 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.98 -36.83 7.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 10.0 111.944 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.6 mmt -64.1 -39.2 93.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.851 . . . . 10.0 110.939 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.4 -24.07 66.25 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.401 1.88 . . . . 10.0 113.588 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -104.16 10.04 35.99 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.432 1.493 . . . . 10.0 113.137 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.1 m -118.4 11.68 13.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.083 1.353 . . . . 10.0 113.441 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.47 143.32 50.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.892 1.277 . . . . 10.0 113.147 -171.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -10.07 57.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.748 1.219 . . . . 10.0 113.62 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 76.8 p -151.91 163.55 39.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.119 1.368 . . . . 10.0 112.249 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -59.6 -39.78 85.3 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.134 0.974 . . . . 10.0 112.259 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.73 -42.11 99.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.467 1.107 . . . . 10.0 112.631 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.07 -37.15 78.34 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.322 -0.861 . . . . 10.0 112.251 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.26 -50.43 73.63 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.25 -0.907 . . . . 10.0 111.895 171.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -53.13 -47.79 68.41 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.38 -41.21 88.81 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.758 0.708 . . . . 10.0 112.223 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.25 -40.2 90.02 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.002 -0.999 . . . . 10.0 112.94 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.2 -48.99 79.55 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.569 1.077 . . . . 10.0 110.518 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.33 -29.25 69.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.165 1.386 . . . . 10.0 113.005 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -66.4 -42.4 87.9 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.482 1.113 . . . . 10.0 112.586 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -38.8 87.04 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.295 0.952 . . . . 10.0 111.168 174.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.9 mm -54.92 -52.39 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.249 1.02 . . . . 10.0 111.257 170.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -59.8 -45.89 90.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.718 0.807 . . . . 10.0 112.408 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -52.62 -57.28 10.53 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.909 0.777 . . . . 10.0 110.677 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 78.5 mt -56.79 -47.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.33 0.652 . . . . 10.0 111.063 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -60.98 -50.96 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . 0.488 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 7.7 mmpt? -71.98 -31.05 65.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.493 1.117 . . . . 10.0 113.305 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.15 -33.89 63.67 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.638 0.775 . . . . 10.0 112.931 175.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 9.7 mp -89.61 -44.62 9.94 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.27 -44.69 75.87 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.107 1.322 . . . . 10.0 113.519 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.57 -42.09 92.16 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.53 -0.731 . . . . 10.0 112.571 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -78.08 -7.88 57.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.803 1.241 . . . . 10.0 113.642 -177.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -116.28 -4.32 11.89 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.704 2.002 . . . . 10.0 113.335 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -135.39 37.19 2.94 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.098 1.759 . . . . 10.0 111.56 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 8.7 m -61.86 -17.21 55.64 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.057 1.873 . . . . 10.0 116.057 -169.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -149.45 -54.69 0.17 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.358 1.463 . . . . 10.0 111.597 171.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.83 2.452 . . . . 10.0 109.145 173.082 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -63.87 -18.86 64.6 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.378 1.251 . . . . 10.0 114.378 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -73.22 -14.39 61.33 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.5 1.12 . . . . 10.0 113.997 173.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 80.41 173.35 46.32 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.893 1.235 . . . . 10.0 113.785 -173.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -145.89 -38.53 0.24 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.453 1.279 . . . . 10.0 114.453 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 28.5 mm -83.14 -26.55 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.071 0.948 . . . . 10.0 112.277 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 28.4 tp -150.88 72.93 8.75 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 126.035 1.734 . . . . 10.0 108.197 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.466 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 32.2 Cg_exo -40.7 124.8 1.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 1 C-N-CA 125.746 4.297 . . . . 10.0 113.928 175.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.2 m -57.92 -37.31 73.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.76 -36.11 79.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.689 0.796 . . . . 10.0 112.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.21 -43.69 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.767 0.827 . . . . 10.0 109.61 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 65.0 ttp -53.35 -49.91 66.13 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.63 1.172 . . . . 10.0 111.395 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.84 -39.63 65.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.444 0.698 . . . . 10.0 112.691 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.57 -44.19 78.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.75 0.82 . . . . 10.0 112.193 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 26.0 t -58.59 -46.85 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.726 1.148 . . . . 10.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.28 -39.65 94.35 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.858 0.754 . . . . 10.0 112.356 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.42 -34.2 63.17 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.362 0.875 . . . . 10.0 113.362 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -79.83 -48.71 13.09 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.8 p -56.16 -27.71 3.61 Favored Pre-proline 0 N--CA 1.483 1.176 0 N-CA-C 117.978 2.584 . . . . 10.0 117.978 -169.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -54.19 -15.64 8.33 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.469 2.78 . . . . 10.0 116.086 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 92.3 p -59.42 -23.2 62.45 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 170.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 42.7 tpp -76.4 53.75 0.87 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.351 1.86 . . . . 10.0 111.993 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.33 -18.53 61.67 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.681 1.993 . . . . 10.0 114.969 -170.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -59.36 148.45 32.39 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.291 1.037 . . . . 10.0 112.786 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 45.6 tp -151.92 157.34 41.67 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.833 1.653 . . . . 10.0 110.45 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -158.42 33.7 0.5 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.255 1.407 . . . . 10.0 113.945 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.54 154.72 39.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.721 1.608 . . . . 10.0 110.75 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 69.9 m -136.37 81.91 35.79 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 125.545 1.538 . . . . 10.0 111.303 -174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.19 154.02 11.68 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.137 3.225 . . . . 10.0 114.394 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -140.84 4.4 1.9 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.645 1.35 . . . . 10.0 114.645 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.476 1.91 . . . . 10.0 111.901 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.953 0.406 . . . . 10.0 111.356 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -151.7 -56.61 0.15 Allowed 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.543 -0.723 . . . . 10.0 112.646 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -57.57 -50.11 74.18 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.86 0.755 . . . . 10.0 112.041 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -56.92 -33.84 67.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.903 1.281 . . . . 10.0 113.64 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 47.4 mm -63.1 -46.51 95.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.27 1.028 . . . . 10.0 111.192 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -77.56 -36.6 52.01 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 172.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.58 -50.51 67.83 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.561 1.144 . . . . 10.0 112.09 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.1 tp -61.11 -43.33 99.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.466 1.106 . . . . 10.0 112.087 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.17 -46.31 87.76 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.128 0.571 . . . . 10.0 111.198 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 43.0 tp -72.74 -28.6 62.73 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.833 1.653 . . . . 10.0 113.914 -176.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.54 -44.88 69.56 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.432 1.093 . . . . 10.0 112.54 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.16 -52.07 60.79 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.517 0.599 . . . . 10.0 111.899 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.3 mtm -58.57 -24.28 60.48 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.949 1.092 . . . . 10.0 113.949 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 35.3 m -76.38 -19.93 57.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.026 1.33 . . . . 10.0 114.558 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 23.9 m -53.82 -37.97 64.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.334 1.605 . . . . 10.0 115.334 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -59.06 -21.33 58.98 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -79.96 -30.31 39.79 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.839 0.856 . . . . 10.0 112.984 169.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.1 -19.78 46.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.227 1.811 . . . . 10.0 114.262 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -10.76 0.3 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 117.5 2.408 . . . . 10.0 117.5 -169.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -71.21 34.3 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 126.052 1.741 . . . . 10.0 113.315 170.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -85.33 -172.01 48.67 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 126.182 1.848 . . . . 10.0 114.213 -177.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -141.31 173.34 11.59 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.757 1.623 . . . . 10.0 111.803 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -130.48 163.2 27.51 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.872 1.669 . . . . 10.0 110.917 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -135.7 23.32 3.37 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.23 1.412 . . . . 10.0 112.981 -173.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.903 2.081 . . . . 10.0 113.345 -174.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.412 -0.675 . . . . 10.0 111.412 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 48.6 t -138.64 142.98 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 125.962 1.705 . . . . 10.0 108.983 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -138.14 156.22 47.96 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.437 1.495 . . . . 10.0 111.916 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -67.35 166.64 14.01 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.771 1.229 . . . . 10.0 112.438 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 177.4 -29.24 0.07 OUTLIER Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.223 0.916 . . . . 10.0 114.781 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.5 p-90 -62.2 -14.0 33.35 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.583 1.697 . . . . 10.0 115.583 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -57.59 -27.7 62.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.34 . . . . 10.0 113.641 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.45 -18.09 36.58 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.679 1.363 . . . . 10.0 114.679 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -77.19 -1.2 28.23 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.694 1.198 . . . . 10.0 114.009 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.42 153.89 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.061 1.744 . . . . 10.0 110.6 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 76.9 p -127.45 158.74 36.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.951 1.701 . . . . 10.0 111.177 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -58.29 -31.89 67.9 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.571 -0.706 . . . . 10.0 112.555 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -63.33 -44.48 94.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.826 0.85 . . . . 10.0 112.051 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.33 -45.33 84.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.875 -0.583 . . . . 10.0 111.408 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -54.8 -47.6 73.8 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.215 0.916 . . . . 10.0 111.962 174.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 63.8 m -59.17 -49.43 77.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.577 1.151 . . . . 10.0 112.271 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -66.07 -44.03 85.67 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.443 0.697 . . . . 10.0 111.502 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.86 -38.51 91.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 117.787 -1.101 . . . . 10.0 112.982 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 21.6 t -54.71 -50.96 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.153 1.342 . . . . 10.0 111.133 170.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -64.88 -41.83 95.3 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.927 -0.483 . . . . 10.0 112.219 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.33 -33.94 77.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 10.0 112.87 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.482 ' HA ' HD11 ' B' ' 657' ' ' ILE . 2.4 tp -57.26 -54.74 43.36 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.483 1.113 . . . . 10.0 109.25 169.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.41 -45.18 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.957 1.303 . . . . 10.0 112.887 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -64.27 -33.87 76.81 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.63 70.41 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.749 0.704 . . . . 10.0 111.129 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 62.1 mt -58.91 -46.71 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.305 1.042 . . . . 10.0 110.863 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 0.6 OUTLIER -142.43 100.91 5.65 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.093 0.957 . . . . 10.0 110.446 171.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -62.84 95.64 0.16 Allowed 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.177 3.252 . . . . 10.0 109.971 168.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.5 t -50.51 142.64 15.13 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.848 1.659 . . . . 10.0 113.785 -170.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.402 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 11.6 Cg_exo -62.07 -42.02 32.42 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.401 2.734 . . . . 10.0 111.37 174.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -155.19 162.44 27.25 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.059 2.144 . . . . 10.0 109.989 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.65 -21.71 51.6 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.404 2.07 . . . . 10.0 111.837 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.77 -16.0 62.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.357 1.463 . . . . 10.0 114.65 170.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -92.57 -22.92 19.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.033 0.933 . . . . 10.0 112.886 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.29 -28.76 68.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.501 1.12 . . . . 10.0 113.47 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.83 -4.86 56.18 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.712 1.375 . . . . 10.0 114.712 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.96 132.86 48.79 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.478 1.035 . . . . 10.0 110.509 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.98 -35.89 26.1 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.035 1.124 . . . . 10.0 114.035 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -69.6 -36.95 76.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.558 1.143 . . . . 10.0 112.22 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.5 tpt -70.28 -37.34 74.84 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.947 0.499 . . . . 10.0 111.32 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.27 -34.95 77.55 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.175 -0.953 . . . . 10.0 113.168 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.47 -39.25 85.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.272 -0.892 . . . . 10.0 111.894 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 17.9 tp -61.45 -49.02 78.52 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.29 0.95 . . . . 10.0 111.16 170.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.5 t -51.53 -43.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.096 1.358 . . . . 10.0 112.442 173.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.17 73.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.46 1.104 . . . . 10.0 113.051 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -62.95 -42.74 99.91 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.556 -0.715 . . . . 10.0 111.27 174.4 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.63 82.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.974 0.91 . . . . 10.0 111.721 172.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.05 -48.16 80.95 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 119.856 1.207 . . . . 10.0 112.852 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.92 -45.87 92.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.057 0.943 . . . . 10.0 112.128 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.97 -33.02 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.763 -0.636 . . . . 10.0 112.097 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -44.22 76.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.388 1.449 . . . . 10.0 111.42 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.81 -26.93 73.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 123.938 0.78 . . . . 10.0 114.429 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.77 -36.27 28.68 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.722 1.261 . . . . 10.0 111.86 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.24 -37.65 87.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.573 1.149 . . . . 10.0 111.04 172.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -62.52 -49.76 74.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.201 1.401 . . . . 10.0 112.611 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.45 -22.11 64.6 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.766 -1.208 . . . . 10.0 114.154 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.5 m -76.09 -24.42 55.02 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.02 156.22 19.84 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.109 1.151 . . . . 10.0 114.109 -170.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -117.47 -3.62 11.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.069 2.148 . . . . 10.0 112.041 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 62.3 p -152.46 162.76 40.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.91 1.684 . . . . 10.0 111.876 170.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -59.81 -40.95 90.11 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.484 0.714 . . . . 10.0 112.383 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.307 1.043 . . . . 10.0 112.149 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.94 -39.35 83.46 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.601 -0.687 . . . . 10.0 112.315 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.02 -54.22 49.37 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 10.0 111.832 173.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -51.86 -47.38 64.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.62 -38.62 91.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.826 0.739 . . . . 10.0 112.419 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.71 -43.41 89.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.528 1.131 . . . . 10.0 112.4 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 53.2 mt -59.13 -48.88 79.97 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.747 0.703 . . . . 10.0 111.436 170.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.13 75.09 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.917 0.887 . . . . 10.0 112.796 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.08 -44.54 84.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.178 0.991 . . . . 10.0 111.96 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -59.82 -44.01 94.25 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.129 0.877 . . . . 10.0 111.616 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' B' ' 607' ' ' LEU . 4.5 mm -60.67 -45.24 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.037 0.935 . . . . 10.0 111.451 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.75 -52.86 62.51 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.546 1.138 . . . . 10.0 111.753 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -50.4 9.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.185 2.194 . . . . 10.0 112.363 172.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.37 -54.94 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.898 0.879 . . . . 10.0 110.512 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.63 -52.73 55.91 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.82 -22.1 62.38 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.887 1.221 . . . . 10.0 113.545 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -76.73 -44.47 33.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.088 0.555 . . . . 10.0 111.79 171.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.6 mp -56.58 -41.73 77.47 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.705 0.802 . . . . 10.0 111.579 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.99 5.36 0.51 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.384 1.474 . . . . 10.0 114.766 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.99 -44.86 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.8 1.24 . . . . 10.0 112.238 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -61.48 -29.14 69.79 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.802 1.183 . . . . 10.0 114.18 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -77.13 -4.51 44.84 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.868 1.267 . . . . 10.0 114.073 173.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -119.71 -32.53 4.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.516 1.926 . . . . 10.0 112.942 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 66.2 m -134.2 101.19 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 126.846 2.058 . . . . 10.0 109.42 -170.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -54.3 -31.01 52.93 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.379 1.472 . . . . 10.0 113.756 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . 0.471 ' H ' HD22 ' B' ' 672' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.251 1.159 0 C-N-CA 127.792 2.437 . . . . 10.0 113.453 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 110.68 -0.118 . . . . 10.0 110.68 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -149.81 142.3 24.38 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.196 1.398 . . . . 10.0 111.339 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -156.22 147.92 22.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.088 1.355 . . . . 10.0 111.388 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -60.39 -24.44 61.51 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.265 0.936 . . . . 10.0 114.625 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -61.19 -16.46 45.07 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.931 1.293 . . . . 10.0 114.341 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 17.2 mt -73.6 -19.44 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.953 0.901 . . . . 10.0 112.458 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 41.4 tp -151.4 80.04 6.49 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.093 1.757 . . . . 10.0 108.657 169.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.44 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 99.9 Cg_exo -43.21 134.59 6.15 Favored 'Trans proline' 0 C--N 1.353 0.768 1 C-N-CA 125.901 4.4 . . . . 10.0 113.601 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -59.35 -38.58 80.73 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -172.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.44 -39.68 85.4 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.503 -0.748 . . . . 10.0 112.289 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -69.39 -41.15 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 123.884 0.874 . . . . 10.0 110.696 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 47.7 ttm -53.2 -55.59 23.12 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.931 0.892 . . . . 10.0 110.322 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.96 -42.21 79.71 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.85 -47.67 85.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.994 0.918 . . . . 10.0 112.552 173.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.07 -41.79 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 10.0 111.881 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.5 -33.14 75.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.355 0.979 . . . . 10.0 112.206 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.78 -42.26 50.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.174 0.99 . . . . 10.0 112.83 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 35.1 m-80 -78.88 -52.41 8.34 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.081 1.141 . . . . 10.0 114.081 -174.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 76.0 p -61.09 -29.34 5.23 Favored Pre-proline 0 N--CA 1.479 1.007 0 N-CA-C 117.862 2.542 . . . . 10.0 117.862 -169.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -66.73 -10.47 28.27 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.817 2.345 . . . . 10.0 116.586 176.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 51.5 m -138.4 161.97 35.62 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -169.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 13.5 tpt -151.72 146.53 25.82 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.414 1.886 . . . . 10.0 110.022 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -66.49 -37.82 85.92 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.918 1.081 . . . . 10.0 113.918 -171.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -157.72 161.15 38.51 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.95 1.3 . . . . 10.0 112.419 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -155.0 161.9 41.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.237 1.815 . . . . 10.0 111.559 173.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 161.87 179.73 36.71 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.461 1.029 . . . . 10.0 113.796 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -76.22 -17.2 59.62 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.23 1.012 . . . . 10.0 113.249 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 60.6 p -153.74 166.24 16.12 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 125.731 1.612 . . . . 10.0 112.6 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.85 -7.79 2.62 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 124.64 3.56 . . . . 10.0 116.471 169.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -132.52 10.19 4.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.312 1.445 . . . . 10.0 112.99 -172.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.75 1.62 . . . . 10.0 113.328 174.262 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 60.8 mttt . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 112.287 0.477 . . . . 10.0 112.287 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -24.57 -62.9 0.05 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 130.476 3.51 . . . . 10.0 116.615 -169.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.85 -57.97 5.95 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.244 0.617 . . . . 10.0 111.978 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -62.16 -31.63 72.16 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.427 1.091 . . . . 10.0 112.645 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . 0.409 ' HA ' ' CE1' ' B' ' 658' ' ' TYR . 4.6 mm -54.1 -58.73 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.464 1.029 . . . . 10.0 110.677 171.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -67.3 -39.51 85.97 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.061 0.545 . . . . 10.0 111.679 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.9 -48.26 78.61 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.467 1.507 . . . . 10.0 112.506 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.55 -36.59 63.11 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.532 0.733 . . . . 10.0 112.328 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.73 -41.55 92.09 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.434 -0.791 . . . . 10.0 112.375 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.42 -31.48 72.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.312 1.445 . . . . 10.0 113.142 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 45.7 mt -57.29 -38.41 73.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.738 0.815 . . . . 10.0 112.597 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 39.6 mt -75.39 -53.81 8.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.973 0.806 . . . . 10.0 111.03 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 49.7 ttm -53.65 -35.28 60.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.865 1.266 . . . . 10.0 113.913 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 65.3 m -57.27 -24.57 55.74 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 17.8 m -56.74 -39.37 73.84 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.023 0.829 . . . . 10.0 112.815 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -28.03 69.63 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.401 -0.812 . . . . 10.0 112.917 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -79.95 -42.1 24.69 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.75 0.82 . . . . 10.0 111.484 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.54 -32.76 67.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.189 0.996 . . . . 10.0 112.52 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.41 14.22 10.13 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.36 1.864 . . . . 10.0 113.173 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.12 -43.12 1.33 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.253 1.421 . . . . 10.0 113.685 176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 143.26 -166.3 26.8 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.032 0.825 . . . . 10.0 114.793 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -74.72 51.79 0.49 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.601 1.96 . . . . 10.0 113.114 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -58.87 -17.47 24.31 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.246 1.572 . . . . 10.0 115.246 -173.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -69.96 -15.23 63.01 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.867 1.432 . . . . 10.0 114.867 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.431 1.492 . . . . 10.0 113.332 177.025 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.196 -0.762 . . . . 10.0 111.196 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 31.9 t -140.38 141.81 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.1 1.36 . . . . 10.0 110.345 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -49.96 136.12 19.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.475 1.91 . . . . 10.0 112.318 173.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -131.93 147.51 52.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.767 2.027 . . . . 10.0 109.242 173.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -50.79 -37.32 34.68 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 115.72 1.048 . . . . 10.0 115.72 -169.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -64.19 -20.5 66.06 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.872 1.434 . . . . 10.0 114.872 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -62.97 -28.11 69.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.088 0.955 . . . . 10.0 111.987 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -73.32 -1.03 16.37 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.745 1.618 . . . . 10.0 113.323 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -118.22 20.07 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.836 2.054 . . . . 10.0 112.021 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.78 130.89 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.418 1.887 . . . . 10.0 109.856 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -94.03 158.17 15.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.481 1.112 . . . . 10.0 111.651 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.05 -32.01 70.51 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.503 -0.748 . . . . 10.0 111.777 170.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -43.85 97.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.192 0.997 . . . . 10.0 112.246 174.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.55 -47.93 83.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.165 0.586 . . . . 10.0 111.226 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -56.2 -50.62 70.71 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.633 0.773 . . . . 10.0 112.074 174.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.2 m -59.55 -49.68 76.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.608 1.163 . . . . 10.0 112.255 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.11 -41.88 85.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.72 -0.657 . . . . 10.0 111.329 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.52 -37.97 89.34 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.73 1.15 . . . . 10.0 112.734 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 37.9 t -56.64 -51.23 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.182 1.355 . . . . 10.0 110.666 169.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -36.75 73.15 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.09 -33.23 57.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.232 1.413 . . . . 10.0 112.123 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' B' ' 657' ' ' ILE . 1.7 tp -59.51 -48.45 81.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.791 1.236 . . . . 10.0 110.016 169.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.94 -41.38 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.734 1.214 . . . . 10.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -60.69 -21.99 63.44 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.139 1.163 . . . . 10.0 114.139 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -110.42 15.51 22.16 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.387 1.475 . . . . 10.0 112.479 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.58 -45.2 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.476 1.511 . . . . 10.0 109.431 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' B' ' 614' ' ' THR . 2.9 t80 -137.23 98.77 10.09 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 124.495 1.118 . . . . 10.0 108.432 169.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -1.67 0.86 Allowed 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 124.74 3.627 . . . . 10.0 116.639 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.433 ' HA ' ' CE1' ' B' ' 612' ' ' PHE 0.259 40.8 p 53.34 150.19 0.04 OUTLIER Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 131.578 3.951 . . . . 10.0 117.739 -173.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.73 -27.47 14.93 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.011 2.474 . . . . 10.0 112.047 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.14 150.12 10.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 128.095 2.558 . . . . 10.0 108.499 -171.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.24 -16.91 53.44 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.17 1.913 . . . . 10.0 113.786 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -70.44 -26.17 63.53 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.9 1.227 . . . . 10.0 113.009 169.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.14 66.63 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.84 -1.163 . . . . 10.0 113.198 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.64 -27.85 69.51 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.845 1.258 . . . . 10.0 112.562 169.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -91.61 -10.08 41.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.536 1.535 . . . . 10.0 113.443 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.85 142.69 57.84 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.915 0.886 . . . . 10.0 112.185 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -64.74 -21.3 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -27.97 52.13 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.117 0.967 . . . . 10.0 112.609 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -29.8 70.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.753 0.821 . . . . 10.0 112.053 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.53 -28.26 44.22 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.438 1.273 . . . . 10.0 114.438 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -66.79 -42.85 85.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.273 -0.892 . . . . 10.0 111.678 172.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.8 -40.77 79.43 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.307 1.043 . . . . 10.0 111.533 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 50.0 t -55.39 -49.06 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.348 1.459 . . . . 10.0 111.998 170.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.66 84.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.126 -0.984 . . . . 10.0 112.783 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -58.56 -46.2 87.39 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.243 1.017 . . . . 10.0 111.697 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.95 96.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.529 0.731 . . . . 10.0 111.961 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.47 -43.53 93.22 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.398 0.999 . . . . 10.0 112.672 172.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -60.44 -51.41 69.6 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.953 0.901 . . . . 10.0 111.133 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.57 -49.68 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.24 0.616 . . . . 10.0 111.119 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.79 -44.55 77.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.962 0.905 . . . . 10.0 112.11 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.24 93.24 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.958 0.789 . . . . 10.0 113.826 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.6 -33.09 68.72 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.92 1.36 . . . . 10.0 112.063 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.8 mmt -73.01 -40.15 65.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.413 1.085 . . . . 10.0 111.196 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -64.12 -48.37 76.35 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.293 1.437 . . . . 10.0 113.643 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.29 -13.82 42.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.875 1.435 . . . . 10.0 114.875 -174.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.2 m -126.73 -8.26 6.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.999 1.851 . . . . 10.0 115.999 -169.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 140.29 44.95 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.707 1.14 . . . . 10.0 112.604 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.09 -26.14 65.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.802 1.241 . . . . 10.0 113.743 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 92.4 p -150.24 166.34 30.21 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.596 1.558 . . . . 10.0 111.883 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -60.54 -40.65 92.32 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.813 0.845 . . . . 10.0 112.467 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.86 -44.1 94.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.148 0.979 . . . . 10.0 112.781 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.28 -36.88 80.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.379 -0.825 . . . . 10.0 112.131 175.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.13 -51.79 68.5 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 111.515 172.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -51.97 -48.05 64.54 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -62.51 -41.59 98.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.345 0.521 . . . . 10.0 112.145 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 48.8 mt -63.87 -45.38 89.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.403 1.081 . . . . 10.0 112.702 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 38.3 mt -54.57 -53.55 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.859 0.754 . . . . 10.0 110.321 171.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.89 74.25 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.959 0.904 . . . . 10.0 113.045 -175.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.13 -46.58 77.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.412 1.085 . . . . 10.0 111.606 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.588 -0.695 . . . . 10.0 111.448 171.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.543 HD11 ' HG ' ' B' ' 607' ' ' LEU . 6.2 mm -57.83 -39.01 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.66 0.784 . . . . 10.0 112.539 170.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . 0.409 ' CE1' ' HA ' ' A' ' 295' ' ' ILE . 4.1 t80 -64.75 -48.5 74.33 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.285 0.948 . . . . 10.0 110.849 173.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -46.72 38.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.469 1.508 . . . . 10.0 112.921 171.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 46.4 mm -70.49 -58.7 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 119.672 1.124 . . . . 10.0 112.297 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -72.66 -41.69 65.14 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -39.44 93.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.258 0.935 . . . . 10.0 111.581 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.5 -48.14 82.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.138 0.575 . . . . 10.0 111.573 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.52 -39.34 70.41 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.049 0.84 . . . . 10.0 112.18 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.94 -10.62 14.25 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.213 1.56 . . . . 10.0 115.213 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -133.85 -22.68 1.84 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -98.55 -1.14 41.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.657 1.583 . . . . 10.0 113.345 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.03 -6.42 2.36 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.233 1.413 . . . . 10.0 114.666 173.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -126.83 31.71 5.26 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.386 1.874 . . . . 10.0 111.256 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 5.0 m -61.48 89.15 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.377 2.671 . . . . 10.0 113.135 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -118.22 15.69 14.02 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.591 1.956 . . . . 10.0 112.778 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 C-N-CA 128.102 2.561 . . . . 10.0 113.095 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 111.541 0.2 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.66 -15.26 51.33 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.659 1.726 . . . . 10.0 115.659 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -129.85 27.56 5.17 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.429 1.892 . . . . 10.0 111.408 173.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -165.71 75.47 0.15 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.88 1.705 . . . . 10.0 111.626 -170.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -142.56 151.64 41.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.51 1.524 . . . . 10.0 111.026 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 2.1 mt -126.49 10.0 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.168 1.787 . . . . 10.0 111.105 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 18.9 tp -137.77 77.88 37.75 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.395 1.478 . . . . 10.0 109.581 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.47 138.85 18.09 Favored 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.772 4.315 . . . . 10.0 113.784 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 36.8 m -58.38 -36.83 74.11 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.916 1.45 . . . . 10.0 114.916 -171.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.97 -41.26 78.15 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.489 -0.757 . . . . 10.0 112.561 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.6 -42.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.237 1.015 . . . . 10.0 110.027 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 50.8 ttp -58.01 -54.27 48.88 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.996 0.918 . . . . 10.0 111.18 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.68 -39.8 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.1 0.864 . . . . 10.0 113.112 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -64.69 -46.31 82.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.178 0.591 . . . . 10.0 112.294 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.87 -45.64 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.542 -0.724 . . . . 10.0 111.476 172.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.78 -32.46 73.97 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.322 0.965 . . . . 10.0 112.894 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -69.51 -47.95 62.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.288 1.035 . . . . 10.0 111.836 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -80.06 -39.6 29.44 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.659 1.726 . . . . 10.0 115.659 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 64.0 p -80.06 -9.92 0.14 Allowed Pre-proline 0 N--CA 1.485 1.288 0 N-CA-C 120.203 3.409 . . . . 10.0 120.203 -170.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.21 163.4 1.6 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 123.746 2.964 . . . . 10.0 117.104 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 9.4 t -135.39 33.98 3.02 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.332 1.853 . . . . 10.0 111.496 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -148.18 178.44 8.56 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.703 1.601 . . . . 10.0 112.175 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -136.04 141.77 44.34 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.487 1.515 . . . . 10.0 109.969 175.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -61.55 155.46 22.11 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.753 0.821 . . . . 10.0 112.994 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 94.2 mt -142.05 166.19 25.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.048 2.139 . . . . 10.0 110.206 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -169.94 25.34 0.1 Allowed Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.479 0.952 . . . . 10.0 115.479 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -75.96 -15.78 60.11 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.188 0.994 . . . . 10.0 113.582 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 31.3 m -64.19 151.79 89.65 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.505 1.522 . . . . 10.0 113.713 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.44 169.29 20.13 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.534 2.823 . . . . 10.0 112.451 171.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.52 1.42 3.41 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.441 1.496 . . . . 10.0 114.464 -173.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.046 2.139 . . . . 10.0 111.676 179.1 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.89 -158.44 0.69 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.624 0.769 . . . . 10.0 111.518 -171.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -46.23 -33.86 3.98 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.733 1.753 . . . . 10.0 115.733 -173.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -53.23 -32.1 46.58 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.616 1.166 . . . . 10.0 113.63 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.66 -52.32 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.959 0.903 . . . . 10.0 110.81 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -63.7 -39.23 93.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.187 0.595 . . . . 10.0 111.527 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.93 -52.0 65.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.397 1.479 . . . . 10.0 112.043 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.0 tp -62.39 -43.33 99.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.794 1.238 . . . . 10.0 112.161 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.52 -45.68 78.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.366 1.066 . . . . 10.0 112.325 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.01 -26.76 63.26 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.229 1.812 . . . . 10.0 113.272 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.63 -41.92 67.22 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.965 0.906 . . . . 10.0 113.213 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . 0.4 ' HA ' ' HE3' ' B' ' 606' ' ' LYS . 11.9 mt -61.38 -54.93 37.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.687 0.795 . . . . 10.0 111.968 170.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.02 -26.89 66.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.553 1.541 . . . . 10.0 113.771 -171.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 83.2 p -58.61 -25.95 63.17 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.811 1.412 . . . . 10.0 114.811 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.6 m -59.55 -38.28 80.66 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.515 1.126 . . . . 10.0 113.849 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -63.2 -38.63 91.95 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.172 -0.955 . . . . 10.0 112.271 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -65.24 -33.93 77.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.317 1.047 . . . . 10.0 112.463 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.74 -35.83 72.86 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.452 0.701 . . . . 10.0 112.828 174.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.83 -57.08 3.03 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.161 0.984 . . . . 10.0 113.508 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -140.84 -1.72 1.39 Allowed 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 115.963 1.838 . . . . 10.0 115.963 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -89.53 17.73 50.52 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.701 1.143 . . . . 10.0 113.533 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -63.19 -24.99 68.13 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.86 1.664 . . . . 10.0 114.514 -170.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -145.06 167.1 23.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.262 1.825 . . . . 10.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -67.98 -18.21 64.66 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.62 0.97 . . . . 10.0 113.62 169.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.253 1.239 0 C-N-CA 127.215 2.206 . . . . 10.0 111.299 -179.484 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 111.783 -0.527 . . . . 10.0 111.783 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 91.1 t -136.86 114.89 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.732 1.613 . . . . 10.0 108.855 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -71.46 -15.49 62.33 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . 0.411 ' HE2' ' O ' ' B' ' 643' ' ' ALA . 5.6 mtpm? -74.5 43.98 0.2 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 127.002 2.121 . . . . 10.0 112.997 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -59.16 -17.68 38.76 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.632 1.587 . . . . 10.0 115.458 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -53.34 -22.1 6.79 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.662 1.585 . . . . 10.0 114.753 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.49 -28.52 59.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.162 1.385 . . . . 10.0 113.141 173.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.31 -8.15 23.31 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.979 1.311 . . . . 10.0 113.854 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -122.21 4.36 9.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.133 1.773 . . . . 10.0 112.853 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 99.6 t -81.1 152.01 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.902 1.281 . . . . 10.0 110.265 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.5 p -131.8 154.62 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.053 1.341 . . . . 10.0 110.418 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.21 -36.58 80.31 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.399 -0.813 . . . . 10.0 111.529 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -59.06 -41.18 87.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.896 0.878 . . . . 10.0 112.395 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.27 -54.32 42.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.017 0.527 . . . . 10.0 110.733 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -53.64 -47.49 70.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.408 0.683 . . . . 10.0 112.139 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 67.9 m -58.1 -53.03 62.86 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.297 1.039 . . . . 10.0 112.915 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -68.06 -37.02 80.82 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.026 -0.421 . . . . 10.0 112.053 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.27 -41.27 90.13 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.257 -0.877 . . . . 10.0 112.539 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.4 t -57.49 -48.53 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.737 1.153 . . . . 10.0 110.435 169.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -59.62 -45.36 92.19 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 302' ' ' LEU . 13.0 ttpt -67.13 -32.14 73.07 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.168 0.987 . . . . 10.0 112.681 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -54.27 46.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.838 0.855 . . . . 10.0 109.079 169.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.83 -46.1 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.371 1.469 . . . . 10.0 112.848 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -59.82 -38.99 83.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.787 0.721 . . . . 10.0 112.724 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.56 65.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.469 HG12 HD13 ' B' ' 660' ' ' ILE . 92.5 mt -57.9 -47.44 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.342 1.057 . . . . 10.0 110.906 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . 0.433 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 3.4 t80 -149.33 109.84 3.42 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.676 0.79 . . . . 10.0 110.453 170.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -57.17 -8.2 3.3 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 124.551 3.5 . . . . 10.0 117.289 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 72.25 147.02 0.12 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 128.787 2.835 . . . . 10.0 114.397 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.433 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 55.6 Cg_endo -85.29 -28.83 0.75 Allowed 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.795 2.997 . . . . 10.0 112.621 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -162.09 147.04 9.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 127.908 2.483 . . . . 10.0 108.994 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -67.26 -15.0 44.93 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.17 1.914 . . . . 10.0 113.999 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.26 -29.74 65.46 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 111.947 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.39 -28.26 68.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.19 -24.37 18.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.565 1.546 . . . . 10.0 114.14 175.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 0.89 13.47 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.433 1.493 . . . . 10.0 114.396 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.25 145.32 55.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.508 0.723 . . . . 10.0 109.814 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -63.28 -24.0 67.67 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.177 -0.952 . . . . 10.0 112.608 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -68.77 -17.51 64.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.519 1.527 . . . . 10.0 114.077 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 19.9 ttt -113.21 -25.89 8.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.986 0.914 . . . . 10.0 113.281 171.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -55.25 -35.41 64.95 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.632 1.56 . . . . 10.0 112.74 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -67.57 -41.82 83.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.046 0.938 . . . . 10.0 112.348 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.9 1.28 . . . . 10.0 111.309 173.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.2 t -57.51 -42.44 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 126.649 1.979 . . . . 10.0 112.022 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.46 94.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.216 1.007 . . . . 10.0 112.1 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.462 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.7 -46.84 87.96 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.663 0.665 . . . . 10.0 110.722 170.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.63 85.79 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.172 0.896 . . . . 10.0 112.159 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.68 -44.71 95.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.619 0.768 . . . . 10.0 112.743 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.83 -43.56 98.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.286 1.034 . . . . 10.0 112.198 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.69 -53.56 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.409 1.084 . . . . 10.0 110.475 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -55.5 -45.03 77.08 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.381 0.672 . . . . 10.0 112.307 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.44 74.69 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.131 0.872 . . . . 10.0 114.833 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -84.49 -36.83 21.98 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.821 1.311 . . . . 10.0 111.724 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 34.6 mmt -66.6 -36.76 83.39 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.211 1.004 . . . . 10.0 111.097 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.9 -34.73 70.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.796 1.638 . . . . 10.0 113.348 170.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -89.82 -2.29 58.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.4 m -106.23 11.41 31.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.943 1.297 . . . . 10.0 113.72 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . 0.411 ' O ' ' HE2' ' B' ' 589' ' ' LYS . . . -134.18 129.53 35.92 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.491 1.116 . . . . 10.0 113.418 -170.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -14.28 60.53 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 74.0 p -145.97 161.64 39.62 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.497 1.519 . . . . 10.0 111.905 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -33.79 75.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.833 0.853 . . . . 10.0 112.365 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.25 -44.39 88.28 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.755 1.222 . . . . 10.0 112.633 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.61 -37.76 85.54 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.402 -0.811 . . . . 10.0 111.844 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.15 -51.68 68.97 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.092 0.957 . . . . 10.0 111.992 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.2 -45.47 68.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.54 -41.58 90.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.695 0.68 . . . . 10.0 112.006 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.64 -47.81 77.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.429 0.692 . . . . 10.0 112.483 172.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 26.1 mt -57.73 -45.55 85.63 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.511 1.051 . . . . 10.0 111.78 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.09 76.63 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.784 0.834 . . . . 10.0 112.468 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.06 -43.71 98.47 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.815 0.734 . . . . 10.0 110.672 169.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -65.85 -41.23 91.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.565 0.746 . . . . 10.0 111.911 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 3.6 mt -56.87 -51.81 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.305 0.957 . . . . 10.0 110.178 169.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.89 -49.83 75.39 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.678 0.791 . . . . 10.0 111.958 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -53.66 -55.04 29.49 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.931 0.892 . . . . 10.0 111.258 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . 0.469 HD13 HG12 ' B' ' 611' ' ' ILE . 72.4 mt -61.25 -49.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.311 0.505 . . . . 10.0 109.731 -176.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.45 -44.67 92.9 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.511 -0.743 . . . . 10.0 112.618 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.6 mmpt? -72.14 -41.39 67.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.272 1.029 . . . . 10.0 113.146 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.11 -48.36 82.04 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.994 0.918 . . . . 10.0 111.071 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.85 -52.67 64.73 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.855 0.862 . . . . 10.0 111.201 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.3 -43.67 79.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.596 0.758 . . . . 10.0 112.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.33 -45.16 73.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.256 -0.903 . . . . 10.0 113.055 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -66.13 -29.42 69.72 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -73.53 -36.96 65.76 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.861 1.264 . . . . 10.0 112.736 171.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -73.91 -31.26 63.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.126 1.37 . . . . 10.0 113.54 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 49.7 m -124.5 40.55 3.71 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.005 1.722 . . . . 10.0 111.701 -173.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -59.63 -20.62 57.29 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.906 2.083 . . . . 10.0 116.506 -172.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.012 2.125 . . . . 10.0 111.236 -179.67 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.75 0.31 . . . . 10.0 111.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -124.48 15.69 8.9 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.232 1.413 . . . . 10.0 114.397 -169.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -67.52 -10.88 55.84 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 115.418 1.636 . . . . 10.0 115.418 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -173.79 -28.71 0.03 OUTLIER Glycine 0 N--CA 1.475 1.286 0 N-CA-C 116.217 1.247 . . . . 10.0 116.217 178.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.67 -17.25 20.92 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.58 -26.14 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.247 1.419 . . . . 10.0 113.123 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.3 tp -159.16 77.6 3.04 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.652 1.181 . . . . 10.0 110.189 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.462 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 80.1 Cg_exo -46.53 128.69 12.98 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 125.231 3.954 . . . . 10.0 112.812 173.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.5 p -60.91 -39.56 89.82 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -171.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.88 -34.78 78.54 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.359 -0.838 . . . . 10.0 112.684 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 89.6 mt -76.2 -41.55 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.993 1.317 . . . . 10.0 110.196 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.1 ttt -53.38 -47.46 69.47 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.799 1.24 . . . . 10.0 111.575 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.84 -41.92 71.31 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.832 0.742 . . . . 10.0 112.918 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -65.93 -41.26 91.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.746 0.819 . . . . 10.0 112.254 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.03 -42.87 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.267 -0.896 . . . . 10.0 111.789 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.27 -31.89 73.27 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.044 0.838 . . . . 10.0 112.308 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -71.56 -43.94 65.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.054 0.942 . . . . 10.0 112.286 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -80.01 -47.16 15.37 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -174.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 47.7 p -65.09 -33.25 7.72 Favored Pre-proline 0 N--CA 1.48 1.031 0 N-CA-C 117.864 2.542 . . . . 10.0 117.864 -169.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.96 -6.66 13.22 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 CA-C-N 123.352 2.233 . . . . 10.0 114.615 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 48.8 m -74.48 43.32 0.18 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.118 1.767 . . . . 10.0 114.984 -173.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 49.7 ttm -57.07 -19.79 21.18 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.119 1.767 . . . . 10.0 114.544 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -64.04 -19.49 65.24 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.276 1.431 . . . . 10.0 113.893 174.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.93 171.54 4.37 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.741 1.217 . . . . 10.0 113.655 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.22 153.3 22.55 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.601 1.16 . . . . 10.0 112.295 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 160.43 -1.75 0.08 OUTLIER Glycine 0 CA--C 1.539 1.552 0 N-CA-C 116.471 1.348 . . . . 10.0 116.471 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.71 152.97 21.39 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.118 1.459 . . . . 10.0 112.937 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 79.8 p -148.89 162.47 29.27 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 125.31 1.444 . . . . 10.0 112.22 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.63 156.51 14.41 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.868 3.046 . . . . 10.0 115.033 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -132.71 1.9 3.7 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.19 1.396 . . . . 10.0 112.815 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.7 2.0 . . . . 10.0 113.88 178.793 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -48.08 -39.29 19.74 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.904 1.816 . . . . 10.0 115.904 -169.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -59.02 -60.09 4.43 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.059 0.845 . . . . 10.0 111.831 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -30.54 71.04 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.458 1.026 . . . . 10.0 112.915 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 22.9 mm -65.06 -46.33 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.391 1.076 . . . . 10.0 110.548 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.73 -38.17 76.78 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.987 0.515 . . . . 10.0 112.142 170.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.27 -45.09 94.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.933 1.293 . . . . 10.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.45 -43.35 99.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.479 0.712 . . . . 10.0 111.647 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.12 -46.34 84.57 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.672 0.789 . . . . 10.0 111.437 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.58 -32.44 73.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.072 2.149 . . . . 10.0 113.583 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.01 -39.79 66.41 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.449 1.022 . . . . 10.0 113.622 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.82 -20.76 48.95 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.949 0.899 . . . . 10.0 113.052 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 58.0 ttm -80.02 -36.94 35.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.203 0.911 . . . . 10.0 110.912 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 73.9 m -51.01 -35.75 35.76 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.307 1.043 . . . . 10.0 111.74 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 27.2 m -50.58 -43.66 56.56 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.008 1.323 . . . . 10.0 113.752 175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.17 -30.7 67.9 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.933 -1.104 . . . . 10.0 111.464 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -80.11 -21.86 42.78 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.291 1.436 . . . . 10.0 114.008 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -72.58 -19.98 61.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.827 1.251 . . . . 10.0 112.712 170.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 10.1 mp -113.19 38.94 2.7 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.735 2.014 . . . . 10.0 113.12 -169.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.46 -22.23 42.19 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 114.859 1.429 . . . . 10.0 114.859 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -175.31 -175.13 42.5 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.263 1.411 . . . . 10.0 112.93 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -137.8 1.11 2.28 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -155.4 169.03 25.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.688 1.595 . . . . 10.0 111.799 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.77 157.56 27.22 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.984 0.913 . . . . 10.0 112.804 171.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.457 1.903 . . . . 10.0 112.999 177.507 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.56 112.53 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.265 1.026 . . . . 10.0 110.385 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -72.25 -30.98 65.39 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.21 1.004 . . . . 10.0 112.971 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -65.99 165.28 13.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.318 1.447 . . . . 10.0 112.956 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -116.94 18.4 12.55 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.89 1.233 . . . . 10.0 115.528 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -127.21 -10.89 5.85 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.66 1.726 . . . . 10.0 115.66 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -66.68 -24.76 66.31 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.314 -0.866 . . . . 10.0 113.284 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -18.11 63.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.443 1.275 . . . . 10.0 114.443 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -94.26 -17.07 23.03 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.272 1.429 . . . . 10.0 112.874 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.52 150.98 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.337 1.455 . . . . 10.0 111.148 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 52.0 p -127.43 155.78 43.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.165 1.386 . . . . 10.0 110.583 171.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -58.88 -40.33 84.09 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.645 -0.66 . . . . 10.0 111.555 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.49 -35.1 79.34 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.31 -47.94 83.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.086 0.555 . . . . 10.0 111.358 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -59.48 -50.37 74.2 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.816 0.846 . . . . 10.0 111.257 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.7 m -56.21 -51.6 67.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.414 1.085 . . . . 10.0 112.927 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.45 -41.68 84.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.927 0.491 . . . . 10.0 111.472 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.23 -38.57 88.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 117.489 -1.243 . . . . 10.0 112.863 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.31 -49.86 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.64 1.564 . . . . 10.0 110.541 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -61.68 -48.17 82.03 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -68.02 -26.88 66.11 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.599 -0.688 . . . . 10.0 112.705 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.5 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.1 tp -58.2 -55.45 34.83 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 168.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.22 -46.14 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.442 1.097 . . . . 10.0 112.192 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -58.65 -40.74 84.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.21 57.09 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.689 -0.632 . . . . 10.0 111.896 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.02 -46.14 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.878 1.271 . . . . 10.0 111.165 -175.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -144.6 104.86 4.6 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 123.828 0.851 . . . . 10.0 109.251 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -58.18 -10.84 8.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 124.497 3.465 . . . . 10.0 116.757 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 70.3 p 61.1 148.28 0.08 OUTLIER Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 129.436 3.095 . . . . 10.0 115.836 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 -34.53 9.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.925 2.417 . . . . 10.0 112.347 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -156.32 158.91 31.7 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.168 2.587 . . . . 10.0 109.165 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.19 -16.21 39.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.684 2.256 . . . . 10.0 113.402 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.54 71.41 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.309 -0.87 . . . . 10.0 112.284 169.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.63 58.62 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.571 0.952 . . . . 10.0 113.571 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 74.3 mt -56.62 -21.72 29.05 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.483 1.513 . . . . 10.0 113.539 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -121.56 14.65 11.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.153 1.781 . . . . 10.0 113.945 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.59 143.97 48.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.163 0.985 . . . . 10.0 111.641 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -11.57 2.48 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.791 2.145 . . . . 10.0 116.791 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -107.43 -20.69 13.18 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.716 1.606 . . . . 10.0 113.004 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 14.7 tpt -64.35 -34.71 78.78 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.393 0.997 . . . . 10.0 110.227 169.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -52.57 -37.71 58.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.91 1.284 . . . . 10.0 114.185 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.18 -40.95 82.11 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.572 -0.705 . . . . 10.0 111.294 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 23.4 tp -68.0 -36.68 80.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.811 0.845 . . . . 10.0 112.47 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.01 -42.65 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.807 1.643 . . . . 10.0 111.294 173.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.81 93.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.241 -0.912 . . . . 10.0 112.257 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -59.01 -46.16 88.88 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.078 0.951 . . . . 10.0 112.061 170.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.9 99.36 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.403 -0.811 . . . . 10.0 111.838 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.23 -42.37 99.25 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.33 0.968 . . . . 10.0 112.715 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.66 -48.29 77.81 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.91 1.284 . . . . 10.0 111.975 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.67 -49.75 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.102 0.961 . . . . 10.0 110.187 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.03 -44.75 83.21 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.127 0.876 . . . . 10.0 112.59 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.06 83.56 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.876 0.75 . . . . 10.0 114.025 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.77 -40.52 63.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.753 1.276 . . . . 10.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.9 mmt -66.85 -35.15 79.38 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.335 1.054 . . . . 10.0 111.502 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -64.16 -50.88 66.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.361 1.464 . . . . 10.0 112.551 171.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.78 -25.65 67.35 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.6 m -78.15 -7.29 56.86 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.57 140.66 37.23 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.751 1.019 . . . . 10.0 113.751 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -90.97 -11.14 39.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.206 1.802 . . . . 10.0 112.335 174.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.9 p -149.49 162.41 40.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.403 1.481 . . . . 10.0 112.837 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -57.16 -40.96 78.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.293 1.037 . . . . 10.0 112.103 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.62 -43.85 95.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.677 1.191 . . . . 10.0 112.461 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.46 -37.64 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.399 -0.813 . . . . 10.0 112.187 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.41 -54.93 41.42 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.281 1.032 . . . . 10.0 111.794 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.03 -47.87 53.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.863 0.865 . . . . 10.0 112.262 169.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -64.99 -41.68 95.19 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.325 -0.859 . . . . 10.0 112.188 -176.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.1 -42.91 99.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.45 1.1 . . . . 10.0 112.189 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.4 -52.95 63.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.622 0.646 . . . . 10.0 111.571 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.99 76.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.37 -48.06 74.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.19 -0.944 . . . . 10.0 112.428 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -68.47 -30.07 68.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.215 -0.928 . . . . 10.0 111.443 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.3 mm -62.73 -48.49 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.389 1.076 . . . . 10.0 111.586 169.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.84 -47.33 85.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.578 0.751 . . . . 10.0 111.603 172.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -54.5 24.81 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.545 1.538 . . . . 10.0 111.907 176.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.33 -50.22 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.042 1.337 . . . . 10.0 110.987 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -63.27 -46.46 86.71 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.967 0.507 . . . . 10.0 112.057 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.73 62.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.567 1.147 . . . . 10.0 113.267 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -63.88 -39.96 95.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.93 0.492 . . . . 10.0 112.29 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.86 -40.09 9.9 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.61 -44.15 76.77 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.335 0.971 . . . . 10.0 113.368 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.27 -21.42 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.576 -1.327 . . . . 10.0 113.665 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -90.38 -10.55 43.53 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.809 1.244 . . . . 10.0 113.349 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -126.95 -8.33 6.03 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.24 1.816 . . . . 10.0 113.659 -170.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -139.83 18.43 2.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.859 2.064 . . . . 10.0 112.366 -175.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 63.9 p -53.82 -27.69 30.95 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.395 1.878 . . . . 10.0 115.888 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -66.8 -15.34 63.52 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.939 1.696 . . . . 10.0 111.146 -172.824 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.62 0.248 . . . . 10.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -136.8 10.1 3.1 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.659 1.583 . . . . 10.0 112.74 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -148.01 163.02 38.15 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.274 1.429 . . . . 10.0 112.483 -177.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 174.3 -179.31 45.72 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.138 1.351 . . . . 10.0 112.893 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -151.17 177.44 10.2 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.852 1.261 . . . . 10.0 111.497 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 29.6 mm -57.9 -28.88 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.704 1.202 . . . . 10.0 113.783 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.2 tp -123.43 86.1 52.23 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 127.119 2.168 . . . . 10.0 109.933 -173.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.44 137.95 24.66 Favored 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 125.497 4.131 . . . . 10.0 113.715 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 34.6 p -58.21 -37.63 75.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.58 -37.07 84.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.631 0.772 . . . . 10.0 112.851 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.52 -43.46 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 10.0 110.25 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 42.3 ttp -54.37 -48.73 71.16 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.741 1.217 . . . . 10.0 111.528 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -53.23 -38.31 62.82 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.35 -42.33 96.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.726 -0.609 . . . . 10.0 112.255 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 11.3 t -69.18 -44.41 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.619 0.768 . . . . 10.0 110.938 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 44.1 mt -59.12 -43.06 91.93 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.345 0.975 . . . . 10.0 112.511 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -67.96 -41.07 82.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.888 0.875 . . . . 10.0 112.905 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -80.12 -35.16 37.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -175.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 49.7 p -80.13 -10.54 0.16 Allowed Pre-proline 0 N--CA 1.481 1.077 0 N-CA-C 120.632 3.567 . . . . 10.0 120.632 -169.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.49 124.09 10.84 Favored 'Trans proline' 0 C--N 1.359 1.107 0 CA-C-N 125.076 2.848 . . . . 10.0 111.818 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 45.5 p -71.59 -21.46 61.86 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.234 1.198 . . . . 10.0 114.234 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 28.3 ttt -158.88 141.54 14.27 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.275 1.83 . . . . 10.0 110.147 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -77.98 132.35 37.81 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.483 0.713 . . . . 10.0 111.023 170.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -154.63 162.01 41.33 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.964 1.306 . . . . 10.0 111.903 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -129.68 143.47 50.83 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.763 1.625 . . . . 10.0 110.312 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 156.88 169.96 21.36 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.106 1.336 . . . . 10.0 113.432 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -144.67 158.26 43.85 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.792 1.637 . . . . 10.0 111.037 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 43.2 m -65.7 152.92 91.96 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.293 1.037 . . . . 10.0 112.655 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -51.51 143.13 36.89 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.808 3.005 . . . . 10.0 113.836 171.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.93 -9.31 40.5 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.077 1.14 . . . . 10.0 114.077 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.44 1.896 . . . . 10.0 112.013 -176.903 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 113.109 0.781 . . . . 10.0 113.109 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -51.36 -32.03 24.31 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.029 2.531 . . . . 10.0 115.392 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.45 -48.78 78.24 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.735 0.814 . . . . 10.0 112.354 174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -67.34 -34.02 76.46 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.106 0.866 . . . . 10.0 111.953 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 20.5 mm -61.16 -50.5 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 118.648 0.658 . . . . 10.0 110.199 177.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.54 -39.52 91.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.544 0.738 . . . . 10.0 112.338 174.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.38 -56.3 21.66 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.606 1.162 . . . . 10.0 112.013 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.07 -38.64 86.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.516 0.598 . . . . 10.0 112.099 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.18 -42.23 90.32 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.091 0.859 . . . . 10.0 111.627 174.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.15 -29.01 67.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.881 1.273 . . . . 10.0 113.706 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 53.1 mt -53.92 -40.8 67.03 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.042 1.292 . . . . 10.0 112.755 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.44 -45.71 24.88 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 171.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.5 mtm -64.1 -26.03 68.36 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 98.6 p -66.7 -19.96 65.87 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -53.04 -28.67 25.59 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.598 1.703 . . . . 10.0 115.598 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.84 -35.63 66.63 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.811 -1.181 . . . . 10.0 113.863 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -73.69 -32.1 63.77 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.692 0.797 . . . . 10.0 112.349 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.81 -32.36 69.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.862 1.265 . . . . 10.0 112.289 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.21 -11.26 60.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.106 0.962 . . . . 10.0 113.34 169.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -117.82 23.6 11.58 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.425 1.89 . . . . 10.0 111.736 -177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -147.27 -158.51 7.88 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 126.56 2.029 . . . . 10.0 112.419 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -118.62 40.82 3.14 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.604 1.562 . . . . 10.0 111.046 -173.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -53.7 141.7 25.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.35 1.46 . . . . 10.0 112.852 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -152.64 167.85 27.56 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.88 1.672 . . . . 10.0 111.868 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.224 1.41 . . . . 10.0 114.287 175.61 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.074 -0.81 . . . . 10.0 111.074 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.11 142.63 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.508 1.123 . . . . 10.0 110.946 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -145.98 150.39 35.94 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.847 1.659 . . . . 10.0 110.407 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -65.57 164.6 13.85 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.822 1.249 . . . . 10.0 112.992 172.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 170.69 -30.42 0.13 Allowed Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.316 0.96 . . . . 10.0 114.612 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -62.57 -13.87 36.0 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.699 1.74 . . . . 10.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.91 -23.3 66.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.226 1.41 . . . . 10.0 114.013 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.05 -16.18 40.77 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.677 1.362 . . . . 10.0 114.677 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -94.79 13.94 22.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.33 1.452 . . . . 10.0 113.372 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.03 147.09 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.763 1.625 . . . . 10.0 110.353 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 97.7 m -135.59 153.47 51.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.295 1.838 . . . . 10.0 110.166 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -51.13 -42.75 60.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.41 -39.49 67.33 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.98 0.809 . . . . 10.0 112.891 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 42.2 tp -68.67 -47.83 65.5 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.242 0.617 . . . . 10.0 111.07 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -52.24 -51.61 57.33 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.364 1.066 . . . . 10.0 112.243 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 68.6 m -55.25 -47.01 76.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.105 1.362 . . . . 10.0 112.383 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -69.28 -43.81 73.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.553 0.741 . . . . 10.0 111.874 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.84 -35.69 81.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.392 0.996 . . . . 10.0 112.862 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.19 -51.73 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.323 0.965 . . . . 10.0 110.69 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -61.9 -38.13 87.21 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.737 -0.602 . . . . 10.0 112.297 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -66.65 -34.25 77.46 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.69 1.196 . . . . 10.0 112.549 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.15 66.68 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.113 0.965 . . . . 10.0 108.97 168.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.77 -46.39 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.726 1.21 . . . . 10.0 113.265 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -60.88 -37.46 82.26 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.4 -28.83 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.075 0.769 . . . . 10.0 113.075 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . 0.428 HG12 HG21 ' B' ' 660' ' ' ILE . 83.6 mt -74.87 -49.94 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.395 1.078 . . . . 10.0 110.254 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 1.1 t80 -140.4 100.09 6.99 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.724 0.809 . . . . 10.0 110.587 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -68.35 93.69 0.42 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.644 2.896 . . . . 10.0 108.804 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 7.7 p -54.75 147.64 30.45 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.613 1.565 . . . . 10.0 114.477 -171.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.89 -32.55 17.83 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.898 2.399 . . . . 10.0 112.394 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -152.73 159.84 31.9 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 127.24 2.216 . . . . 10.0 110.084 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.58 -21.22 39.96 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.854 2.369 . . . . 10.0 112.27 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.53 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.392 -0.818 . . . . 10.0 111.556 169.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.0 85.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.801 0.84 . . . . 10.0 112.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.29 -46.16 91.45 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.169 1.387 . . . . 10.0 112.216 172.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -72.31 -31.04 65.35 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.636 1.174 . . . . 10.0 113.862 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.38 141.55 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.955 1.302 . . . . 10.0 113.242 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -23.37 6.26 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.118 1.895 . . . . 10.0 116.118 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.0 -33.62 72.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.499 1.045 . . . . 10.0 113.018 172.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.6 tpt -77.87 -34.19 51.73 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.175 0.99 . . . . 10.0 112.002 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.18 -30.22 61.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.39 0.885 . . . . 10.0 113.39 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -61.64 -38.92 89.48 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.599 1.16 . . . . 10.0 112.645 173.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.76 -45.98 40.28 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.04 1.336 . . . . 10.0 111.574 171.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 71.3 t -55.53 -39.69 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.498 1.119 . . . . 10.0 112.306 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.01 92.38 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.521 1.128 . . . . 10.0 112.54 175.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.509 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -65.04 -43.45 92.3 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.601 -0.687 . . . . 10.0 110.63 171.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.57 86.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.133 0.879 . . . . 10.0 112.437 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -60.32 -47.66 85.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.309 0.958 . . . . 10.0 112.447 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.53 -45.09 95.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.222 1.009 . . . . 10.0 112.251 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.47 -52.39 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.267 1.027 . . . . 10.0 110.758 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.75 -44.16 69.74 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.364 0.983 . . . . 10.0 112.219 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.94 -32.79 81.95 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.01 0.814 . . . . 10.0 113.95 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.38 -35.94 58.37 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.128 1.464 . . . . 10.0 111.814 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 35.2 mmt -66.68 -39.64 88.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.908 0.883 . . . . 10.0 110.796 173.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.3 -48.38 75.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.144 1.378 . . . . 10.0 112.892 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -66.63 -20.7 66.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.148 1.166 . . . . 10.0 114.148 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 69.1 p -104.77 -26.68 12.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.14 130.48 43.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.882 0.873 . . . . 10.0 113.259 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -77.39 -10.47 59.47 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 25.1 p -149.91 163.63 37.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.684 1.194 . . . . 10.0 112.539 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -63.48 -36.47 83.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.104 1.362 . . . . 10.0 113.093 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.33 -44.14 76.01 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.15 0.98 . . . . 10.0 111.457 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.26 -35.98 82.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.276 0.63 . . . . 10.0 111.831 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.58 -57.06 14.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.651 1.18 . . . . 10.0 112.57 173.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.17 -44.8 71.82 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -58.85 -43.0 90.65 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.505 0.593 . . . . 10.0 112.108 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.29 -43.59 85.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.372 1.069 . . . . 10.0 112.64 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.18 -48.77 75.73 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.348 0.976 . . . . 10.0 111.294 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -36.92 78.05 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.12 -42.83 99.63 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.389 -0.819 . . . . 10.0 111.296 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -41.15 95.43 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.841 -1.076 . . . . 10.0 112.858 174.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 2.2 mt -53.05 -54.55 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.382 0.992 . . . . 10.0 109.425 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -40.5 68.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.505 -0.759 . . . . 10.0 112.333 -169.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -47.17 63.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.094 0.861 . . . . 10.0 111.646 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . 0.428 HG21 HG12 ' B' ' 611' ' ' ILE . 59.7 mt -59.44 -49.15 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.765 0.426 . . . . 10.0 110.732 173.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -76.46 -49.98 15.25 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -169.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . 0.284 22.1 ptmt -70.63 -17.09 62.88 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 120.665 1.575 . . . . 10.0 113.467 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -78.29 -43.63 27.5 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.615 0.643 . . . . 10.0 110.432 168.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.36 -36.25 77.58 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.038 -1.039 . . . . 10.0 112.995 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.1 -22.36 39.02 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.011 0.924 . . . . 10.0 113.41 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.26 -47.2 7.33 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.56 1.144 . . . . 10.0 112.183 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -70.0 -8.58 50.24 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -110.67 10.28 22.82 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.691 1.996 . . . . 10.0 112.998 170.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -128.86 -21.85 3.31 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.955 1.702 . . . . 10.0 113.82 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 63.5 m -70.95 80.17 0.65 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.017 1.727 . . . . 10.0 113.01 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.24 -23.42 65.7 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.828 1.251 . . . . 10.0 114.212 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.558 1.943 . . . . 10.0 111.857 179.315 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.774 -0.084 . . . . 10.0 110.774 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.06 -31.93 69.79 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.844 0.857 . . . . 10.0 113.161 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -153.02 170.06 21.36 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.422 1.889 . . . . 10.0 110.88 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -58.87 114.17 5.77 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.329 0.966 . . . . 10.0 113.364 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -138.88 5.95 2.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.208 1.403 . . . . 10.0 113.85 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 37.2 mm -64.19 -22.21 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.345 1.458 . . . . 10.0 113.407 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 35.5 tp -147.7 84.41 7.05 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 125.894 1.677 . . . . 10.0 107.986 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.509 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 39.4 Cg_exo -48.11 6.25 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.135 2 C-N-CA 129.423 6.749 . . . . 10.0 122.719 -169.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 25.4 m 65.31 -50.02 0.36 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.387 2.275 . . . . 10.0 115.392 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.33 -46.38 73.66 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.923 -1.111 . . . . 10.0 111.792 174.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.59 -35.3 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 122.904 0.482 . . . . 10.0 110.431 170.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 26.1 ttt -55.75 -49.96 71.68 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.221 0.919 . . . . 10.0 111.468 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.74 -42.04 71.14 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.692 0.797 . . . . 10.0 112.918 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.38 -47.86 83.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.429 1.092 . . . . 10.0 112.515 172.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.32 -43.44 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.472 1.033 . . . . 10.0 111.035 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.79 -36.11 82.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.064 0.847 . . . . 10.0 112.647 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.83 -40.04 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.195 0.998 . . . . 10.0 112.977 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . 0.438 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 40.3 m-80 -79.98 -36.13 36.49 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.116 1.525 . . . . 10.0 115.116 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 32.8 p -73.22 -36.18 3.1 Favored Pre-proline 0 N--CA 1.481 1.103 0 N-CA-C 117.343 2.349 . . . . 10.0 117.343 -171.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -84.47 169.22 11.08 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 122.597 2.198 . . . . 10.0 112.968 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 16.4 m -70.72 23.67 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.845 2.058 . . . . 10.0 115.276 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 28.2 ptm -137.15 32.98 2.6 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.393 1.877 . . . . 10.0 112.227 -172.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -50.09 127.86 17.69 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.703 1.601 . . . . 10.0 113.205 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -155.11 162.06 41.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.624 1.57 . . . . 10.0 111.211 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 52.8 tp -152.16 -47.65 0.11 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.174 0.989 . . . . 10.0 112.854 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 162.51 178.16 36.13 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.678 1.133 . . . . 10.0 113.666 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.09 146.22 54.92 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.186 0.995 . . . . 10.0 111.967 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 70.1 m -61.12 129.63 90.75 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 124.046 0.938 . . . . 10.0 112.152 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.58 145.28 48.58 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.575 2.85 . . . . 10.0 113.949 173.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.81 -17.1 56.26 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.661 1.984 . . . . 10.0 111.791 -175.443 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 119.367 -0.349 . . . . 10.0 110.237 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -154.35 -76.08 0.11 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.682 0.674 . . . . 10.0 112.022 169.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -59.18 -54.26 49.0 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.279 1.032 . . . . 10.0 113.039 -172.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.73 -30.78 69.06 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.881 0.873 . . . . 10.0 113.329 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.47 -50.82 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.105 0.562 . . . . 10.0 110.891 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.26 -41.06 99.0 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 119.133 -0.461 . . . . 10.0 111.146 172.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -55.58 -46.34 77.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.206 1.402 . . . . 10.0 112.841 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.86 -44.47 80.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.637 0.775 . . . . 10.0 112.217 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.08 -42.07 80.96 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.641 -0.662 . . . . 10.0 111.609 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.2 tp -71.5 -26.3 62.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.524 1.93 . . . . 10.0 112.876 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -42.05 60.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.183 1.393 . . . . 10.0 113.164 -178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.72 -54.9 15.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.689 1.196 . . . . 10.0 111.62 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 40.9 ttm -58.73 -31.99 68.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.631 1.173 . . . . 10.0 114.111 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 36.7 m -61.92 -19.86 63.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.838 1.655 . . . . 10.0 114.686 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 44.6 m -55.6 -23.05 25.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.106 1.362 . . . . 10.0 114.255 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -52.39 -29.99 26.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.93 1.241 . . . . 10.0 113.675 172.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -72.37 -38.6 68.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.127 0.971 . . . . 10.0 112.42 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.35 -27.07 64.05 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.375 1.07 . . . . 10.0 112.994 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.66 -8.06 9.12 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.054 -1.029 . . . . 10.0 113.505 169.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -134.53 23.39 3.7 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.806 2.043 . . . . 10.0 111.89 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -176.78 41.56 0.1 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.256 0.931 . . . . 10.0 114.146 -171.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -63.91 163.65 11.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.791 1.236 . . . . 10.0 114.187 -174.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -134.89 11.93 3.64 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.545 1.538 . . . . 10.0 113.453 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -74.71 -3.23 30.2 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.427 1.491 . . . . 10.0 114.961 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.046 2.139 . . . . 10.0 113.098 -173.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 112.152 -0.379 . . . . 10.0 112.152 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 89.6 t -139.12 135.5 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.887 1.675 . . . . 10.0 109.587 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -101.67 -21.3 14.7 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.844 1.258 . . . . 10.0 113.954 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -64.94 163.37 14.65 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.972 1.309 . . . . 10.0 112.671 169.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -150.47 31.98 1.03 Allowed Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.986 1.279 . . . . 10.0 114.422 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -118.43 -5.09 10.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.991 1.316 . . . . 10.0 114.049 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.59 -22.9 66.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.732 1.213 . . . . 10.0 111.981 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -60.53 -19.28 56.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.265 2.226 . . . . 10.0 113.586 173.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -90.33 6.81 41.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.059 1.344 . . . . 10.0 113.247 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.81 160.4 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.655 1.982 . . . . 10.0 110.322 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.7 t -146.23 157.55 43.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.987 1.315 . . . . 10.0 111.401 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -57.54 -34.38 69.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.713 1.205 . . . . 10.0 113.261 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.34 -36.17 82.8 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.473 -0.767 . . . . 10.0 112.354 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.51 -48.97 62.99 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 118.951 -0.547 . . . . 10.0 110.538 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -51.81 -47.34 64.32 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.47 0.708 . . . . 10.0 111.675 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 52.9 m -58.22 -50.74 72.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.003 1.321 . . . . 10.0 112.632 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.87 -38.23 82.82 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.945 -0.472 . . . . 10.0 111.832 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.93 -40.12 94.41 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.888 -1.133 . . . . 10.0 111.936 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.79 -48.52 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.939 1.245 . . . . 10.0 110.964 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -57.63 -40.97 80.4 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -70.97 -36.11 72.4 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.992 0.917 . . . . 10.0 112.895 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' B' ' 657' ' ' ILE . 2.4 tp -59.39 -52.79 64.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.588 1.155 . . . . 10.0 110.045 172.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.53 -47.81 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.015 1.726 . . . . 10.0 113.104 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.74 -30.93 69.66 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.1 73.74 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.038 0.835 . . . . 10.0 111.878 171.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 57.8 mt -64.05 -51.38 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.049 0.94 . . . . 10.0 110.96 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -146.14 104.46 4.11 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.756 0.823 . . . . 10.0 110.733 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.7 -12.55 21.98 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.265 3.31 . . . . 10.0 116.575 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 66.5 p 64.13 147.84 0.1 OUTLIER Pre-proline 0 N--CA 1.484 1.228 0 C-N-CA 129.085 2.954 . . . . 10.0 115.198 -169.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.08 -34.0 10.91 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.785 2.323 . . . . 10.0 112.353 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -157.09 159.49 31.14 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 128.245 2.618 . . . . 10.0 109.065 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.29 -18.9 44.59 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.771 2.314 . . . . 10.0 113.19 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.59 73.68 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.625 0.77 . . . . 10.0 112.721 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -70.79 -21.21 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.95 -27.98 67.25 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.535 1.134 . . . . 10.0 112.972 170.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -78.02 -17.0 57.61 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.138 1.375 . . . . 10.0 113.832 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.25 143.83 57.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.904 0.882 . . . . 10.0 112.82 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -63.55 -29.87 71.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.003 0.921 . . . . 10.0 113.036 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -73.26 -32.12 64.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.377 0.671 . . . . 10.0 112.65 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -70.11 -36.75 75.08 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.061 0.846 . . . . 10.0 111.038 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.42 -38.35 86.79 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.326 1.05 . . . . 10.0 112.656 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -66.2 -40.24 90.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.158 -0.964 . . . . 10.0 112.284 171.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.03 -45.13 94.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.932 0.893 . . . . 10.0 111.67 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.5 t -54.73 -45.06 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.896 1.678 . . . . 10.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.27 -39.43 86.08 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.184 0.994 . . . . 10.0 112.993 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -59.89 -43.78 94.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.251 1.02 . . . . 10.0 111.559 170.261 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.96 95.85 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.292 -0.88 . . . . 10.0 112.249 173.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.4 -45.22 95.25 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.734 1.152 . . . . 10.0 112.49 171.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -47.98 82.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.151 . . . . 10.0 111.905 177.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.06 -40.77 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.735 -0.65 . . . . 10.0 111.71 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.1 -49.51 68.97 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.011 1.278 . . . . 10.0 111.225 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.21 -38.59 94.72 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.547 0.594 . . . . 10.0 113.884 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.4 -35.8 78.21 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.806 1.303 . . . . 10.0 112.34 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.79 -39.62 69.76 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.27 . . . . 10.0 110.925 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.38 -38.8 91.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.484 1.514 . . . . 10.0 112.551 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -79.76 5.27 13.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.329 1.452 . . . . 10.0 114.198 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.8 m -120.83 14.51 11.65 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.608 1.563 . . . . 10.0 113.444 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -131.26 150.33 52.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.643 1.177 . . . . 10.0 113.329 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -103.98 -3.22 24.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.827 1.651 . . . . 10.0 112.611 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 63.4 p -154.22 161.75 41.63 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 126.507 1.923 . . . . 10.0 110.102 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -27.38 68.66 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 175.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -71.21 -37.33 72.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.795 0.838 . . . . 10.0 112.027 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.69 -39.43 84.41 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.456 -0.778 . . . . 10.0 111.526 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.49 -52.5 65.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.927 0.891 . . . . 10.0 111.704 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -49.19 -47.8 45.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.59 -42.92 99.85 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.509 0.595 . . . . 10.0 112.322 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.27 -42.89 96.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.554 0.742 . . . . 10.0 112.741 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.4 mt -55.74 -54.15 47.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.644 0.656 . . . . 10.0 110.458 170.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.11 -28.67 66.68 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.498 0.925 . . . . 10.0 113.498 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -67.71 -41.8 82.99 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.456 1.025 . . . . 10.0 111.877 171.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -34.74 78.52 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.277 -0.889 . . . . 10.0 111.645 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.511 HD11 ' HG ' ' B' ' 607' ' ' LEU . 22.0 mm -64.42 -45.64 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.391 1.077 . . . . 10.0 111.884 170.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -55.93 -48.98 74.74 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.089 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -53.4 -58.13 8.2 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.298 0.954 . . . . 10.0 111.644 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 84.3 mt -59.98 -48.81 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.602 0.637 . . . . 10.0 111.185 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.54 -52.51 63.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.205 0.602 . . . . 10.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -36.36 78.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.096 0.958 . . . . 10.0 112.485 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -69.68 -49.54 52.53 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.051 0.54 . . . . 10.0 111.997 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.57 -32.63 74.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.996 1.271 . . . . 10.0 112.472 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -60.54 -6.87 1.81 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.356 1.613 . . . . 10.0 115.356 169.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -122.86 -36.57 2.86 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.982 1.265 . . . . 10.0 113.711 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -63.83 -11.44 27.22 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.939 1.296 . . . . 10.0 114.07 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -114.66 11.23 16.87 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.527 1.931 . . . . 10.0 113.044 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -140.26 -13.26 1.04 Allowed 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 115.426 1.639 . . . . 10.0 115.426 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 78.2 p -58.09 -24.82 60.08 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.777 1.769 . . . . 10.0 115.777 -176.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -71.74 -25.45 62.06 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.217 1.407 . . . . 10.0 114.066 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.45 1.5 . . . . 10.0 112.277 -177.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 35.7 p . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.117 0.484 . . . . 10.0 111.398 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -142.58 166.58 24.27 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.929 1.692 . . . . 10.0 111.024 -178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -146.04 169.84 17.85 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.802 1.241 . . . . 10.0 112.708 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -137.09 32.55 2.41 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.834 1.683 . . . . 10.0 113.08 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -149.84 -173.69 4.49 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.91 2.084 . . . . 10.0 110.596 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.8 mt -124.83 19.8 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.487 1.115 . . . . 10.0 111.009 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 64.8 tp -146.15 76.89 12.17 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.246 2.218 . . . . 10.0 108.384 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 32.3 Cg_exo -42.86 136.87 4.56 Favored 'Trans proline' 0 C--N 1.353 0.791 1 C-N-CA 126.395 4.73 . . . . 10.0 114.29 178.674 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 19.7 m -51.08 -40.01 57.39 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.752 . . . . 10.0 115.729 -169.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -74.19 -27.2 60.7 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.564 0.95 . . . . 10.0 113.564 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.85 -42.6 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 169.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 49.7 ttp -52.95 -54.28 37.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.647 0.779 . . . . 10.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.43 -42.29 70.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.415 1.086 . . . . 10.0 112.844 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -61.95 -47.02 86.73 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.247 1.019 . . . . 10.0 112.341 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.65 -44.18 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.238 0.926 . . . . 10.0 111.159 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.51 -34.52 78.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.154 0.888 . . . . 10.0 113.056 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.99 42.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.8 -47.73 20.66 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 25.0 p -57.81 -34.35 24.7 Favored Pre-proline 0 N--CA 1.478 0.968 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 -170.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -90.57 -7.91 3.9 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.05 2.5 . . . . 10.0 114.21 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 11.2 t -82.66 160.38 22.44 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.901 1.075 . . . . 10.0 113.901 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 25.0 ptp -153.95 154.67 34.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.985 2.114 . . . . 10.0 110.078 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -130.16 -2.72 4.5 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -173.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -153.25 162.56 41.16 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.726 1.61 . . . . 10.0 111.066 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -152.23 163.28 39.73 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.406 1.482 . . . . 10.0 112.099 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -75.58 171.71 54.15 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.789 1.185 . . . . 10.0 115.008 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -136.73 -11.09 1.81 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.06 1.344 . . . . 10.0 113.13 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 75.4 p -152.55 162.45 26.46 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 126.363 1.865 . . . . 10.0 111.383 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.64 -33.83 97.23 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.443 2.762 . . . . 10.0 114.755 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -157.31 159.17 37.25 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.762 1.625 . . . . 10.0 111.982 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.777 1.631 . . . . 10.0 111.664 -177.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -34.95 -50.28 0.48 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 116.708 2.114 . . . . 10.0 116.708 -168.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.86 -58.79 6.61 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.895 0.878 . . . . 10.0 112.783 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -64.8 -36.58 84.79 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.412 1.085 . . . . 10.0 112.488 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 20.4 mm -59.9 -46.0 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.386 1.074 . . . . 10.0 111.139 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -74.33 -37.26 63.61 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.83 -47.75 73.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.732 1.213 . . . . 10.0 112.395 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.05 -43.38 91.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.069 0.948 . . . . 10.0 112.154 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.27 -48.03 68.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.472 0.709 . . . . 10.0 111.446 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.29 -29.47 68.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.982 1.713 . . . . 10.0 113.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.79 -44.05 63.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.708 1.203 . . . . 10.0 113.203 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.33 -20.17 62.22 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.35 0.87 . . . . 10.0 113.35 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 50.2 ttm -80.05 -40.62 27.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.883 0.765 . . . . 10.0 110.172 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 69.2 m -55.29 -27.63 48.05 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.891 1.276 . . . . 10.0 113.271 175.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . 0.435 HG23 ' CD2' ' B' ' 602' ' ' HIS . 52.2 m -46.05 -40.64 10.99 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.781 1.232 . . . . 10.0 113.221 169.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.45 -32.93 73.87 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.608 -0.683 . . . . 10.0 112.577 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -80.02 -42.95 22.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.802 1.241 . . . . 10.0 112.9 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.38 -29.0 60.89 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.385 0.883 . . . . 10.0 113.385 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.02 -2.05 38.5 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.812 1.645 . . . . 10.0 114.526 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -140.74 -9.66 1.05 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.093 1.886 . . . . 10.0 116.093 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -172.35 175.7 45.48 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 119.426 1.012 . . . . 10.0 114.754 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -63.48 161.41 14.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.526 1.53 . . . . 10.0 113.218 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.99 19.54 3.23 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.986 1.315 . . . . 10.0 114.119 -171.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -69.71 160.04 32.39 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.241 -0.912 . . . . 10.0 113.151 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.843 1.657 . . . . 10.0 112.845 176.391 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.195 -0.762 . . . . 10.0 111.195 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.62 -29.05 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 125.11 1.364 . . . . 10.0 113.269 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -147.42 96.78 2.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.026 1.73 . . . . 10.0 110.794 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -78.9 -3.33 44.24 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.55 1.315 . . . . 10.0 114.55 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 121.45 -8.64 10.21 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.574 1.559 . . . . 10.0 114.645 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -132.92 -7.19 3.11 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.727 1.381 . . . . 10.0 114.727 -170.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -61.45 -29.02 69.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.718 1.207 . . . . 10.0 113.144 -170.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -16.33 62.65 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.554 1.942 . . . . 10.0 114.932 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -41.76 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.855 0.862 . . . . 10.0 111.93 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.89 148.9 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 10.0 110.518 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.5 p -111.73 162.02 15.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.145 1.378 . . . . 10.0 111.398 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -57.17 -34.14 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.145 -0.972 . . . . 10.0 113.521 171.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.02 -41.39 86.71 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.708 0.686 . . . . 10.0 111.419 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -47.19 82.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.168 0.587 . . . . 10.0 111.56 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -58.45 -52.15 66.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.574 0.75 . . . . 10.0 111.729 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -53.08 -50.62 64.01 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.789 0.835 . . . . 10.0 113.159 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . 0.435 ' CD2' HG23 ' A' ' 305' ' ' THR . 10.6 t60 -73.14 -38.61 66.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.023 -0.513 . . . . 10.0 112.068 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.08 -35.38 78.49 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.587 -1.196 . . . . 10.0 112.046 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.38 -50.64 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 120.449 1.477 . . . . 10.0 110.709 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -59.24 -44.82 92.34 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -34.46 76.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.562 0.745 . . . . 10.0 112.437 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.64 -53.19 55.45 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.757 0.823 . . . . 10.0 109.875 169.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.82 -46.02 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.068 0.947 . . . . 10.0 112.162 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -63.87 -24.21 67.65 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -104.7 -25.96 12.48 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.202 0.91 . . . . 10.0 113.297 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.53 -43.43 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 118.807 0.73 . . . . 10.0 109.409 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.7 105.43 6.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.112 0.965 . . . . 10.0 108.776 169.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.19 92.21 0.27 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.496 2.797 . . . . 10.0 110.603 169.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 6.8 t -51.12 140.05 22.95 Favored Pre-proline 0 N--CA 1.473 0.687 0 C-N-CA 126.318 1.847 . . . . 10.0 113.335 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.5 -30.62 14.88 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.97 2.447 . . . . 10.0 111.992 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -150.97 159.93 32.95 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 128.399 2.68 . . . . 10.0 108.304 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.62 -20.92 34.85 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.314 2.009 . . . . 10.0 112.403 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.59 -31.58 72.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.036 0.935 . . . . 10.0 113.138 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.85 -21.9 63.31 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.154 -0.967 . . . . 10.0 113.119 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.31 -26.84 68.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.174 0.99 . . . . 10.0 112.925 169.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -84.81 -12.9 52.65 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.283 1.433 . . . . 10.0 113.167 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.08 140.86 58.86 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.82 0.848 . . . . 10.0 112.202 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -49.23 -35.57 17.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.381 1.472 . . . . 10.0 114.882 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -74.65 -30.42 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.057 0.943 . . . . 10.0 113.053 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -24.16 67.36 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.467 0.707 . . . . 10.0 112.241 173.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.95 -32.06 67.46 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 10.0 113.734 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -67.75 -40.85 84.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.433 1.015 . . . . 10.0 111.516 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.37 -48.09 74.14 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.506 1.522 . . . . 10.0 111.121 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 30.6 t -55.24 -46.33 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.474 1.91 . . . . 10.0 112.704 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.88 -40.98 87.97 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.101 -0.999 . . . . 10.0 112.106 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -59.52 -44.95 93.02 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.096 0.958 . . . . 10.0 112.031 170.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.45 96.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 10.0 112.132 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.94 -43.33 98.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.572 0.624 . . . . 10.0 112.379 172.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -62.77 -49.54 74.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.031 0.932 . . . . 10.0 111.762 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.26 -42.89 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.642 1.177 . . . . 10.0 111.493 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -56.52 -43.84 80.19 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.53 1.059 . . . . 10.0 111.842 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.2 -36.35 91.68 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.097 0.856 . . . . 10.0 114.404 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.93 -39.36 72.69 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.282 1.541 . . . . 10.0 111.602 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . 0.404 ' SD ' ' HE3' ' B' ' 656' ' ' LYS . 36.9 mmt -71.98 -35.07 69.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.198 0.999 . . . . 10.0 111.419 178.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -65.08 -45.71 84.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.709 1.604 . . . . 10.0 112.622 170.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.42 -30.86 71.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.81 1.244 . . . . 10.0 112.673 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.5 m -84.98 -5.89 59.35 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -103.76 128.23 51.17 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.195 1.183 . . . . 10.0 114.195 -169.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -83.15 -10.01 58.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.796 1.638 . . . . 10.0 113.444 174.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.3 p -148.75 162.99 38.66 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.738 1.215 . . . . 10.0 112.429 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -29.96 70.97 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.178 0.991 . . . . 10.0 113.181 176.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.68 -43.86 65.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.8 0.84 . . . . 10.0 111.494 172.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.62 -33.98 77.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.342 0.657 . . . . 10.0 112.54 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -57.16 -61.4 2.49 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.208 1.403 . . . . 10.0 112.238 172.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -49.95 -46.15 52.04 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 169.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -64.51 -41.62 96.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.35 -0.844 . . . . 10.0 112.338 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.87 -44.35 93.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.541 1.136 . . . . 10.0 112.245 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -54.41 -54.5 39.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.733 0.697 . . . . 10.0 110.793 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.87 76.56 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.037 0.755 . . . . 10.0 113.037 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.71 -46.14 69.72 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.911 -1.118 . . . . 10.0 112.612 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . 0.404 ' HE3' ' SD ' ' B' ' 639' ' ' MET . 0.4 OUTLIER -68.53 -26.78 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.804 -1.185 . . . . 10.0 112.239 175.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' B' ' 610' ' ' ALA . 2.6 mm -65.57 -46.93 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 10.0 110.596 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -57.46 -44.66 84.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.357 0.663 . . . . 10.0 111.882 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -54.15 -59.44 4.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.724 1.209 . . . . 10.0 112.02 172.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.93 -44.49 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.018 1.327 . . . . 10.0 111.293 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.99 -60.39 2.88 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.241 0.617 . . . . 10.0 111.381 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -34.85 78.23 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.024 1.12 . . . . 10.0 114.024 -169.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.38 -31.8 73.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.22 0.608 . . . . 10.0 111.992 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 6.7 mp -87.03 -37.13 17.76 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.481 0.919 . . . . 10.0 113.481 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.33 -47.6 69.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.503 1.502 . . . . 10.0 113.62 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -9.73 54.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.42 -1.425 . . . . 10.0 114.176 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -102.47 -5.74 23.71 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.896 1.678 . . . . 10.0 112.815 172.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -125.18 -9.76 7.04 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.887 2.075 . . . . 10.0 113.875 -173.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -112.59 -3.73 14.28 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.521 1.529 . . . . 10.0 113.122 169.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 42.7 p -59.73 -16.2 25.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.299 1.84 . . . . 10.0 115.206 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.49 -31.28 70.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.625 1.57 . . . . 10.0 113.546 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.254 1.31 0 C-N-CA 124.805 1.242 . . . . 10.0 111.571 176.381 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -50.44 -29.56 10.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.238 2.215 . . . . 10.0 115.232 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -66.01 -5.79 10.71 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.261 1.578 . . . . 10.0 115.261 175.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -68.16 52.24 0.41 Allowed Glycine 0 CA--C 1.539 1.542 0 C-N-CA 128.117 2.77 . . . . 10.0 116.973 -173.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -60.71 157.9 13.79 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.164 1.785 . . . . 10.0 112.598 169.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 16.4 mm -135.11 -38.13 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 -173.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 38.8 tp -116.71 100.59 53.5 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 125.576 1.55 . . . . 10.0 111.454 -169.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.6 146.72 14.46 Favored 'Trans proline' 0 C--N 1.353 0.794 1 C-N-CA 125.984 4.456 . . . . 10.0 114.77 173.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 61.7 p -61.24 -38.72 87.67 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.989 1.478 . . . . 10.0 114.989 -174.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.34 -40.0 85.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.354 -0.841 . . . . 10.0 112.505 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.46 -42.47 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.585 0.754 . . . . 10.0 109.252 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 56.1 ttm -51.14 -56.22 13.82 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.563 1.145 . . . . 10.0 110.832 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -53.25 -42.09 66.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.17 -43.14 99.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.306 0.642 . . . . 10.0 112.495 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.29 -42.37 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.698 -0.626 . . . . 10.0 111.296 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.37 -44.87 95.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.503 1.047 . . . . 10.0 112.767 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.74 85.85 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.799 0.84 . . . . 10.0 113.092 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -80.09 -40.09 28.27 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.585 1.698 . . . . 10.0 115.585 -175.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 66.6 p -80.17 -10.7 0.16 Allowed Pre-proline 0 N--CA 1.483 1.203 0 N-CA-C 121.499 3.888 . . . . 10.0 121.499 -169.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.72 161.37 44.07 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 124.907 2.788 . . . . 10.0 114.164 -169.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 44.5 p -62.38 -28.18 69.59 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.975 0.91 . . . . 10.0 113.242 173.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 40.1 tpp -148.32 131.33 16.26 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.826 1.65 . . . . 10.0 109.544 169.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -79.22 61.37 3.31 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.003 1.321 . . . . 10.0 111.977 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.76 -9.51 9.6 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.007 1.723 . . . . 10.0 115.17 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -140.95 116.54 10.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.176 1.79 . . . . 10.0 109.034 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 158.81 21.34 0.03 OUTLIER Glycine 0 CA--C 1.54 1.604 0 C-N-CA 124.55 1.072 . . . . 10.0 115.638 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.39 158.03 15.49 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.552 1.541 . . . . 10.0 114.051 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . 0.433 ' H ' ' CD ' ' C' ' 867' ' ' PRO . 23.1 t -150.49 -40.56 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 114.63 1.344 . . . . 10.0 114.63 177.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . 0.433 ' CD ' ' H ' ' C' ' 866' ' ' SER . 52.7 Cg_exo -59.39 -29.45 90.18 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.638 2.226 . . . . 10.0 114.797 174.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -152.02 154.77 36.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.615 1.966 . . . . 10.0 109.656 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.763 1.625 . . . . 10.0 111.954 177.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 65.3 mttm . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -134.44 -60.63 0.79 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -65.6 -41.64 92.57 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 121.142 -0.974 . . . . 10.0 113.224 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -63.07 -32.09 73.38 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.338 1.055 . . . . 10.0 112.798 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . 0.418 HG23 ' CE1' ' B' ' 658' ' ' TYR . 46.5 mm -60.51 -48.47 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.782 1.233 . . . . 10.0 110.946 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -74.79 -40.18 61.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.865 0.466 . . . . 10.0 110.082 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -51.97 -51.48 56.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.479 1.112 . . . . 10.0 112.491 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.84 -39.02 90.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.308 1.443 . . . . 10.0 112.752 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.78 -49.52 72.6 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.65 0.78 . . . . 10.0 110.66 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.54 -28.15 69.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.063 2.145 . . . . 10.0 113.675 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 28.1 mt -48.18 -36.46 13.68 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.238 1.415 . . . . 10.0 114.384 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.07 -27.31 63.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 55.4 ttm -74.37 -41.12 61.53 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.325 1.42 . . . . 10.0 110.863 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 21.5 m -55.1 -19.94 8.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.934 1.694 . . . . 10.0 113.198 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . 0.452 HG23 ' CD2' ' B' ' 602' ' ' HIS . 63.5 m -50.65 -46.84 58.68 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.182 . . . . 10.0 112.78 170.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.28 -41.28 90.04 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 118.963 0.801 . . . . 10.0 111.691 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -60.41 -44.54 95.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.152 0.981 . . . . 10.0 111.307 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.31 -43.43 94.73 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.02 1.328 . . . . 10.0 112.951 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 7.7 mp -77.46 -31.73 54.0 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.018 1.118 . . . . 10.0 114.018 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -105.66 -5.19 20.23 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.052 1.131 . . . . 10.0 114.052 -170.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 65.0 38.12 95.08 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.249 0.928 . . . . 10.0 114.029 174.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -141.04 167.69 21.59 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.438 1.895 . . . . 10.0 110.684 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -134.86 166.52 22.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.047 1.339 . . . . 10.0 111.86 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.77 155.01 24.05 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.341 1.056 . . . . 10.0 113.224 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--O 1.253 1.238 0 C-N-CA 126.33 1.852 . . . . 10.0 111.575 -177.266 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.38 -0.688 . . . . 10.0 111.38 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.65 136.14 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 125.141 1.376 . . . . 10.0 110.142 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -129.88 -135.18 0.21 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 127.247 2.219 . . . . 10.0 109.447 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -49.29 134.2 18.66 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.118 1.367 . . . . 10.0 112.142 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 177.61 34.25 0.05 OUTLIER Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.286 0.946 . . . . 10.0 114.053 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -131.01 -4.89 3.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.957 1.466 . . . . 10.0 114.957 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -69.25 -20.76 63.94 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.798 0.839 . . . . 10.0 112.735 -172.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.56 -16.4 60.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.883 1.273 . . . . 10.0 114.426 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.96 12.4 28.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.988 1.315 . . . . 10.0 112.947 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.68 150.53 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.968 1.707 . . . . 10.0 110.803 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 44.1 p -134.48 161.73 34.22 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.633 1.573 . . . . 10.0 110.728 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.55 -34.17 72.34 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.495 -0.753 . . . . 10.0 112.081 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.15 -33.89 72.35 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.48 -0.763 . . . . 10.0 112.524 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.44 -49.71 74.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.362 0.665 . . . . 10.0 111.18 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -55.86 -48.03 76.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.566 0.746 . . . . 10.0 111.351 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.2 m -57.87 -52.21 66.4 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.31 1.044 . . . . 10.0 113.15 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . 0.452 ' CD2' HG23 ' A' ' 305' ' ' THR . 8.8 t60 -70.35 -40.75 73.9 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.118 0.567 . . . . 10.0 111.97 -176.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.88 -45.88 91.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.527 0.603 . . . . 10.0 111.495 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.11 -49.31 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.426 0.69 . . . . 10.0 111.557 172.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -59.94 -44.15 94.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.301 0.955 . . . . 10.0 112.139 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -66.15 -35.0 79.32 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.557 -0.714 . . . . 10.0 112.565 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -50.37 73.27 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.793 0.837 . . . . 10.0 111.368 169.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.84 -46.4 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.913 1.285 . . . . 10.0 112.17 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -63.29 -41.65 99.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.611 0.765 . . . . 10.0 112.939 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.82 84.94 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.634 -0.667 . . . . 10.0 112.523 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.15 -52.24 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.008 0.923 . . . . 10.0 110.428 175.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . 0.454 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 2.0 t80 -141.0 103.5 6.2 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.941 0.896 . . . . 10.0 110.517 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -58.51 -8.34 5.3 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.927 3.751 . . . . 10.0 117.621 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 22.3 m 69.26 133.04 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 128.078 2.551 . . . . 10.0 113.356 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.454 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 87.8 Cg_endo -87.31 -30.39 0.3 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.88 3.053 . . . . 10.0 113.112 -175.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -157.15 157.33 30.43 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.248 1.819 . . . . 10.0 111.636 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -71.27 -1.06 9.05 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.136 2.557 . . . . 10.0 115.68 -174.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -100.7 -28.25 12.94 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.71 1.141 . . . . 10.0 112.166 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.21 71.91 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.549 1.068 . . . . 10.0 113.277 173.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.97 -9.76 56.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.284 1.587 . . . . 10.0 115.284 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -86.93 -10.28 53.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.957 0.903 . . . . 10.0 113.24 170.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.56 146.87 51.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.636 0.774 . . . . 10.0 112.692 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -38.3 45.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.877 1.671 . . . . 10.0 113.057 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -67.29 -29.87 69.58 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 8.9 tpt -76.46 -32.62 58.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.611 1.096 . . . . 10.0 111.653 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.12 -34.59 76.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.673 -1.267 . . . . 10.0 111.611 169.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -65.98 -42.13 90.23 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.402 -0.812 . . . . 10.0 112.3 169.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -52.56 64.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.128 0.971 . . . . 10.0 110.453 173.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 13.4 t -53.52 -44.87 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.534 1.934 . . . . 10.0 112.436 174.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.19 78.92 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.449 1.099 . . . . 10.0 112.742 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.513 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.12 -45.63 92.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 10.0 111.204 172.074 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.46 93.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.518 0.727 . . . . 10.0 111.692 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.76 -45.06 91.54 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.911 0.778 . . . . 10.0 113.095 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.94 -44.35 94.41 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.638 1.175 . . . . 10.0 112.017 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.07 -40.18 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 118.715 -0.659 . . . . 10.0 111.872 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -39.8 68.26 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.226 1.376 . . . . 10.0 111.822 172.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.01 76.65 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.153 0.882 . . . . 10.0 113.976 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.22 -33.94 61.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.98 1.39 . . . . 10.0 111.478 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 19.0 mmt -68.54 -38.27 80.68 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.682 0.793 . . . . 10.0 110.792 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -66.14 -48.97 69.04 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.124 1.37 . . . . 10.0 112.591 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.94 -21.02 63.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.012 1.116 . . . . 10.0 114.012 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p -97.72 -30.19 12.95 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.299 1.222 . . . . 10.0 114.299 -175.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.31 143.07 57.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.274 1.029 . . . . 10.0 113.149 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -82.05 -21.36 36.95 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.507 1.123 . . . . 10.0 113.163 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.4 p -142.27 162.21 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.472 1.509 . . . . 10.0 112.61 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 16.9 ttp-105 -60.2 -37.48 80.37 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.114 0.965 . . . . 10.0 112.47 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.39 -42.74 95.97 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.648 1.179 . . . . 10.0 112.839 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.67 -39.22 84.5 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.239 -0.913 . . . . 10.0 111.93 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.44 -54.74 43.35 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.354 1.062 . . . . 10.0 111.592 172.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -50.65 -46.25 58.34 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.22 1.008 . . . . 10.0 112.845 170.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -61.65 -42.95 99.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.377 0.99 . . . . 10.0 112.143 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.67 -42.07 99.42 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.064 0.946 . . . . 10.0 112.407 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.0 -45.27 95.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.581 -0.699 . . . . 10.0 112.187 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.55 64.04 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.699 -0.626 . . . . 10.0 112.511 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.049 -1.032 . . . . 10.0 111.219 169.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.26 -41.88 99.1 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.264 -0.874 . . . . 10.0 112.572 173.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 6.9 mm -53.39 -57.32 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.178 0.899 . . . . 10.0 109.037 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . 0.418 ' CE1' HG23 ' A' ' 295' ' ' ILE . 25.9 t80 -59.21 -57.35 13.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.442 1.097 . . . . 10.0 111.739 -170.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.3 tmtt? -55.32 -51.79 65.58 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.855 0.862 . . . . 10.0 112.26 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.85 -40.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 122.879 0.472 . . . . 10.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.33 -57.5 6.51 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.611 -0.681 . . . . 10.0 112.108 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -67.3 -25.08 65.86 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.84 -59.46 3.85 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.808 0.731 . . . . 10.0 110.621 169.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.46 -42.71 83.06 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.963 0.905 . . . . 10.0 113.091 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -59.34 -18.81 41.38 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.09 -32.53 6.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.337 1.055 . . . . 10.0 112.709 172.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' B' ' 667' ' ' LYS . 0.0 OUTLIER -68.42 -30.46 69.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.056 -1.028 . . . . 10.0 112.892 -178.079 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -67.32 -40.77 85.99 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.257 1.023 . . . . 10.0 111.914 169.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -75.56 -23.52 56.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.722 1.609 . . . . 10.0 113.926 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 59.8 m -129.77 41.62 3.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.303 1.841 . . . . 10.0 111.635 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -17.16 30.84 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.133 1.901 . . . . 10.0 116.133 -175.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 129.183 2.993 . . . . 10.0 113.768 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.862 0.363 . . . . 10.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -149.72 135.21 18.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.337 1.055 . . . . 10.0 111.041 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -139.1 14.3 2.63 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.966 1.706 . . . . 10.0 112.386 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 140.4 24.26 0.26 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.45 1.5 . . . . 10.0 114.214 -174.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -56.51 -23.9 42.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.305 1.442 . . . . 10.0 114.412 -169.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 52.4 mt -63.15 -19.79 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.658 1.183 . . . . 10.0 113.267 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.9 tp -134.16 84.57 41.79 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 125.33 1.452 . . . . 10.0 110.047 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.513 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 45.7 Cg_exo -43.05 134.15 5.81 Favored 'Trans proline' 0 C--N 1.351 0.706 1 C-N-CA 126.445 4.763 . . . . 10.0 114.171 171.691 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 58.2 p -61.57 -36.5 80.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.558 1.318 . . . . 10.0 114.558 -174.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.58 -38.49 91.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.852 0.861 . . . . 10.0 112.4 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.34 -46.94 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 123.476 0.711 . . . . 10.0 109.867 169.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 20.9 ttt -57.45 -48.78 78.24 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.632 0.651 . . . . 10.0 112.426 -173.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.02 -43.05 86.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.247 0.619 . . . . 10.0 112.397 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.47 -46.6 89.35 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.911 0.885 . . . . 10.0 111.84 171.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.307 -0.871 . . . . 10.0 112.274 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.27 -43.09 71.21 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.527 1.512 . . . . 10.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.93 -27.38 67.44 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -175.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.11 -47.71 60.63 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.54 1.681 . . . . 10.0 115.54 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.9 p -80.13 -34.08 0.81 Allowed Pre-proline 0 N--CA 1.48 1.064 0 N-CA-C 117.98 2.585 . . . . 10.0 117.98 -169.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.47 122.6 11.56 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.79 2.326 . . . . 10.0 114.243 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 64.8 p -79.04 -18.66 53.11 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.113 1.153 . . . . 10.0 114.113 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -67.15 -10.08 46.56 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.989 1.477 . . . . 10.0 114.989 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -61.12 -12.46 12.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.926 1.69 . . . . 10.0 115.308 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -133.73 13.35 4.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.536 1.534 . . . . 10.0 113.251 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 59.4 tp -68.02 110.85 4.1 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.766 1.226 . . . . 10.0 111.531 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 156.2 -26.59 0.55 Allowed Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.582 1.087 . . . . 10.0 114.683 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -150.64 146.64 26.63 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.333 1.453 . . . . 10.0 111.287 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 46.7 m -63.72 144.16 97.93 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.368 1.067 . . . . 10.0 113.185 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.12 164.48 35.32 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.447 2.765 . . . . 10.0 112.641 174.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -151.28 146.99 26.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.56 1.544 . . . . 10.0 110.642 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.796 1.639 . . . . 10.0 111.433 178.019 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 N--CA 1.496 1.857 0 N-CA-C 112.376 0.51 . . . . 10.0 112.376 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -38.76 -42.95 0.86 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 128.946 2.898 . . . . 10.0 116.174 -169.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.38 -59.87 4.76 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.212 1.005 . . . . 10.0 112.872 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -27.5 67.45 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 178.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 20.8 mm -61.4 -50.31 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.817 0.847 . . . . 10.0 110.253 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -69.78 -39.71 76.46 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.194 0.598 . . . . 10.0 112.189 173.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.48 -46.66 83.47 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.982 0.913 . . . . 10.0 112.675 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.54 -43.49 93.47 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.419 1.088 . . . . 10.0 111.874 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.34 -45.06 77.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.601 0.76 . . . . 10.0 111.828 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 51.0 tp -72.99 -28.04 62.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.669 1.587 . . . . 10.0 113.785 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.49 -45.28 66.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.832 1.253 . . . . 10.0 112.843 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.72 -56.15 17.86 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.852 0.861 . . . . 10.0 111.377 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 77.4 mtm -60.16 -25.4 65.5 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 70.2 m -65.6 -19.73 66.03 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.75 1.389 . . . . 10.0 114.75 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 49.8 m -54.75 -42.35 71.55 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.401 1.26 . . . . 10.0 114.401 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.04 -21.61 66.39 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -78.25 -29.03 47.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.665 0.666 . . . . 10.0 112.372 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -80.45 -23.95 39.9 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.519 1.128 . . . . 10.0 112.941 175.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.5 5.9 0.52 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.529 1.931 . . . . 10.0 114.812 170.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -56.64 -25.04 52.3 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.325 1.45 . . . . 10.0 113.841 169.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -60.97 129.31 46.24 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.758 1.17 . . . . 10.0 112.517 173.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -147.65 6.18 0.82 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.888 1.44 . . . . 10.0 114.888 -169.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -70.42 -8.31 49.85 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.262 1.578 . . . . 10.0 115.262 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -105.21 0.74 27.56 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.206 1.402 . . . . 10.0 114.131 -176.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--O 1.254 1.32 0 C-N-CA 125.331 1.452 . . . . 10.0 112.664 175.682 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.967 -0.453 . . . . 10.0 111.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.01 -29.19 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.929 1.292 . . . . 10.0 112.938 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -141.19 163.62 32.46 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.872 2.069 . . . . 10.0 110.482 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -86.81 14.86 6.46 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.817 1.247 . . . . 10.0 114.032 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 82.85 -47.04 3.72 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 125.798 1.666 . . . . 10.0 114.721 170.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -62.37 -15.58 49.43 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.795 1.238 . . . . 10.0 114.177 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -57.88 -26.41 62.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.999 1.72 . . . . 10.0 112.568 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.26 -22.23 64.64 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.101 1.36 . . . . 10.0 113.958 175.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -81.66 -2.29 49.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 90.5 t -117.57 151.63 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.304 1.441 . . . . 10.0 111.5 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 72.0 p -130.84 158.64 39.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.909 1.684 . . . . 10.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.05 -31.16 68.61 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.619 -0.676 . . . . 10.0 112.582 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.2 -41.55 94.42 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.508 -0.745 . . . . 10.0 112.342 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.75 -52.6 62.58 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 119.186 -0.435 . . . . 10.0 110.744 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -52.31 -46.61 66.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.721 0.808 . . . . 10.0 112.097 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -50.55 73.51 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.542 1.137 . . . . 10.0 112.555 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -67.15 -41.14 86.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.013 0.525 . . . . 10.0 111.654 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.07 -40.43 96.24 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.228 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.9 t -58.7 -49.38 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.056 1.298 . . . . 10.0 111.259 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -59.41 -41.24 89.0 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.883 0.765 . . . . 10.0 112.251 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -70.1 -30.08 67.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.1 0.96 . . . . 10.0 113.279 176.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' B' ' 657' ' ' ILE . 2.7 tp -62.69 -52.87 61.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.062 0.945 . . . . 10.0 109.059 169.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.03 -49.66 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.317 1.447 . . . . 10.0 112.82 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -63.75 -32.11 73.5 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -175.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.469 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -83.5 -24.25 31.8 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.477 1.035 . . . . 10.0 112.849 176.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.58 -51.47 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 123.645 0.778 . . . . 10.0 109.789 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -144.83 114.63 5.07 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.688 0.795 . . . . 10.0 110.364 171.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -57.51 -11.09 7.97 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.375 3.383 . . . . 10.0 117.024 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 77.11 148.07 0.12 Allowed Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 127.986 2.514 . . . . 10.0 112.265 -172.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.45 -41.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.001 2.468 . . . . 10.0 112.144 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -157.18 154.7 26.6 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 128.694 2.798 . . . . 10.0 108.558 -172.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.82 -18.96 31.63 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.731 2.288 . . . . 10.0 113.992 -170.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.98 70.16 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.509 -0.744 . . . . 10.0 112.886 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.84 75.13 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.476 -0.765 . . . . 10.0 112.681 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.24 -18.79 17.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.444 1.498 . . . . 10.0 114.322 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -119.01 17.01 13.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.035 1.734 . . . . 10.0 113.702 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -103.0 143.28 32.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.214 1.406 . . . . 10.0 111.053 174.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -48.19 -37.12 15.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.225 1.565 . . . . 10.0 115.225 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -41.28 75.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.678 1.191 . . . . 10.0 112.093 176.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 9.1 tpt -84.67 -32.19 23.75 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.304 0.642 . . . . 10.0 112.363 176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.36 -32.95 69.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.821 1.191 . . . . 10.0 113.142 171.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -64.82 -42.38 95.02 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.547 -0.72 . . . . 10.0 112.446 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.12 -44.75 87.7 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.456 0.703 . . . . 10.0 111.611 173.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 26.6 t -55.82 -44.8 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.774 1.63 . . . . 10.0 112.094 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.15 92.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.374 1.07 . . . . 10.0 112.366 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.535 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.8 OUTLIER -60.24 -45.4 93.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.972 0.909 . . . . 10.0 111.93 170.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.49 95.16 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.174 -0.954 . . . . 10.0 111.892 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.07 -43.03 99.51 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 119.199 0.909 . . . . 10.0 112.446 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.16 -46.88 88.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.429 1.092 . . . . 10.0 111.988 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.41 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 10.0 110.958 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -56.44 -44.47 80.5 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.926 0.89 . . . . 10.0 112.362 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.14 -31.81 80.4 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.004 0.812 . . . . 10.0 114.083 175.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.28 -37.16 61.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.558 1.179 . . . . 10.0 111.635 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.3 mmt -68.83 -39.63 79.89 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.156 0.982 . . . . 10.0 111.184 174.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -59.4 -48.76 80.39 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.271 1.429 . . . . 10.0 112.531 171.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.48 -28.47 69.23 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.4 m -79.98 -30.36 39.72 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.73 136.85 40.33 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.609 1.337 . . . . 10.0 114.609 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.29 -23.33 62.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.674 1.589 . . . . 10.0 113.739 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 83.8 p -154.46 166.16 34.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.837 1.255 . . . . 10.0 112.907 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -40.52 66.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.338 1.455 . . . . 10.0 112.846 171.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -43.18 70.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.44 0.696 . . . . 10.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.91 -35.93 81.97 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.725 -0.609 . . . . 10.0 112.062 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -59.02 -56.85 16.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.896 1.278 . . . . 10.0 112.035 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.3 -44.98 65.36 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -59.7 -44.53 93.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.62 0.646 . . . . 10.0 111.839 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.45 -44.62 95.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.404 1.082 . . . . 10.0 112.594 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 40.9 mt -59.65 -54.78 42.44 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.721 0.691 . . . . 10.0 111.334 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.8 76.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.083 0.953 . . . . 10.0 112.918 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.14 -44.86 82.98 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.182 -0.949 . . . . 10.0 112.32 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . 0.412 ' HG2' HG21 ' C' ' 844' ' ' ILE . 12.3 mptt -73.69 -27.94 61.48 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.142 0.883 . . . . 10.0 112.147 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.6 mm -61.85 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.14 0.976 . . . . 10.0 110.122 168.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -56.88 -49.46 75.46 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.998 0.919 . . . . 10.0 111.138 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -52.41 -54.75 28.0 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.693 1.133 . . . . 10.0 112.935 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 66.3 mt -56.17 -43.73 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.019 0.928 . . . . 10.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -74.81 -48.85 23.1 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.897 -0.502 . . . . 10.0 112.259 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -61.77 -30.22 70.65 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.35 1.86 . . . . 10.0 113.1 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.28 -53.74 10.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.491 0.716 . . . . 10.0 111.608 171.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.41 -36.76 84.81 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.78 1.03 . . . . 10.0 113.78 -175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.21 -10.38 10.5 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.725 1.38 . . . . 10.0 114.725 173.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -109.47 -45.1 3.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.798 1.239 . . . . 10.0 111.813 172.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.05 -6.49 6.45 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.984 1.476 . . . . 10.0 114.984 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -109.26 6.92 25.03 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.152 1.781 . . . . 10.0 113.341 171.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -130.67 -14.41 3.62 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.433 1.893 . . . . 10.0 113.38 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 68.6 p -65.09 -17.24 64.29 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.894 2.078 . . . . 10.0 115.104 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -71.49 86.67 0.87 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.13 1.372 . . . . 10.0 110.653 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 127.042 2.137 . . . . 10.0 110.308 -174.136 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.337 -0.363 . . . . 10.0 111.81 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -148.43 155.11 40.79 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.039 1.336 . . . . 10.0 111.297 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -150.01 164.93 34.21 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.091 1.357 . . . . 10.0 112.181 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 160.51 -22.91 0.25 Allowed Glycine 0 CA--C 1.535 1.298 0 N-CA-C 115.112 0.805 . . . . 10.0 115.112 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -72.16 29.46 0.05 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.298 1.839 . . . . 10.0 114.609 -178.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . 0.412 HG21 ' HG2' ' B' ' 656' ' ' LYS . 22.6 mt -71.96 -4.39 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.165 1.386 . . . . 10.0 111.705 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 20.6 tp -130.92 78.95 72.59 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 127.288 2.235 . . . . 10.0 107.94 169.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.535 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 46.7 Cg_exo -45.31 137.0 11.01 Favored 'Trans proline' 0 C--N 1.353 0.782 1 C-N-CA 126.135 4.557 . . . . 10.0 114.256 177.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 54.8 p -55.08 -36.63 65.85 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -172.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.54 -37.3 84.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.861 0.865 . . . . 10.0 113.259 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.14 -41.95 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.036 0.535 . . . . 10.0 109.828 170.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.44 -48.66 68.61 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.471 0.708 . . . . 10.0 111.884 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.86 -40.34 69.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.041 0.937 . . . . 10.0 113.25 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -62.53 -52.53 63.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.741 0.817 . . . . 10.0 111.033 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.9 t -55.2 -43.81 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.012 0.823 . . . . 10.0 111.847 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.0 -41.67 95.17 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.493 0.717 . . . . 10.0 112.747 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -69.29 -39.24 78.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.009 0.924 . . . . 10.0 112.615 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.65 -51.64 53.97 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.181 1.178 . . . . 10.0 114.181 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 62.1 p -68.35 -34.03 5.38 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 116.249 1.944 . . . . 10.0 116.249 -169.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -63.29 -48.94 5.27 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.469 2.113 . . . . 10.0 114.01 171.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 75.5 p -169.75 -26.33 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 116.914 2.19 . . . . 10.0 116.914 -170.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 43.0 mtt -82.4 55.98 3.1 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.469 1.486 . . . . 10.0 113.408 -169.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.99 -17.85 7.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.677 1.991 . . . . 10.0 115.592 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -128.79 30.91 5.03 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.356 1.463 . . . . 10.0 113.222 -169.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 53.0 tp -135.2 141.19 45.8 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.218 1.407 . . . . 10.0 111.617 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 164.77 167.04 24.71 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.77 1.176 . . . . 10.0 112.796 171.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -147.45 154.94 41.43 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.803 1.241 . . . . 10.0 110.751 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 16.6 m -117.17 160.08 38.75 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.047 1.339 . . . . 10.0 110.999 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -65.86 -11.56 31.4 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.689 2.26 . . . . 10.0 114.504 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -101.8 -4.38 26.45 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.438 1.495 . . . . 10.0 114.359 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.152 1.381 . . . . 10.0 113.005 179.086 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 48.7 pttt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 111.46 0.17 . . . . 10.0 111.46 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 293' ' ' LYS . 8.3 tt0 -153.69 -159.22 0.95 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.855 0.862 . . . . 10.0 112.316 -178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . 0.427 ' H ' ' HG2' ' A' ' 292' ' ' GLU . 20.0 pttm -40.94 -26.24 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 128.437 2.695 . . . . 10.0 117.61 -175.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.28 -32.89 26.36 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.719 1.145 . . . . 10.0 112.438 169.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 28.7 mm -58.84 -52.57 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.077 1.751 . . . . 10.0 111.766 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -72.54 -36.73 68.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 119.35 -0.357 . . . . 10.0 111.601 175.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.92 -47.41 77.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.32 1.448 . . . . 10.0 112.724 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.11 -43.04 99.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.441 1.096 . . . . 10.0 112.061 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.48 -46.39 76.49 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.398 0.679 . . . . 10.0 111.134 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.55 -24.7 67.92 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.697 2.399 . . . . 10.0 113.838 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.83 -35.28 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.66 -25.63 53.94 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.891 0.768 . . . . 10.0 112.77 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -79.4 -35.52 40.56 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.946 -1.096 . . . . 10.0 110.892 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 56.5 m -52.31 -30.66 29.35 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.106 1.762 . . . . 10.0 112.651 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . 0.402 HG23 ' CD2' ' B' ' 602' ' ' HIS . 53.9 m -45.97 -40.66 10.69 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.019 1.728 . . . . 10.0 113.806 171.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.72 -29.79 69.86 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.167 -0.958 . . . . 10.0 113.167 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -80.05 -40.96 26.61 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.62 0.768 . . . . 10.0 112.184 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.09 -42.09 80.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.985 0.914 . . . . 10.0 112.162 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.74 -0.73 1.56 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.269 1.428 . . . . 10.0 114.556 174.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -128.42 2.49 5.65 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.947 2.099 . . . . 10.0 112.913 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 162.2 70.95 0.02 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.013 0.816 . . . . 10.0 114.215 -174.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -53.28 -25.88 16.33 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.235 1.414 . . . . 10.0 114.784 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -66.16 -15.34 63.05 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.691 1.596 . . . . 10.0 114.099 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -137.29 179.94 6.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.899 1.28 . . . . 10.0 113.439 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 C--O 1.251 1.158 0 C-N-CA 126.805 2.042 . . . . 10.0 111.724 -172.701 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.742 -0.543 . . . . 10.0 111.742 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.72 -15.46 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.822 1.249 . . . . 10.0 113.021 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -52.89 -17.73 1.56 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 126.885 2.074 . . . . 10.0 115.824 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -61.94 -20.17 63.52 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.33 1.452 . . . . 10.0 113.66 171.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 81.85 -38.23 2.52 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 126.15 1.833 . . . . 10.0 115.486 170.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -60.54 -22.19 63.37 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.239 1.2 . . . . 10.0 114.239 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -53.44 -31.5 45.67 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.519 1.928 . . . . 10.0 113.771 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.71 -12.25 60.12 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.933 1.293 . . . . 10.0 114.086 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -95.14 9.95 37.71 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.137 1.375 . . . . 10.0 113.841 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.79 107.32 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.048 1.339 . . . . 10.0 109.419 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 65.9 p -71.14 159.12 35.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.849 0.86 . . . . 10.0 111.992 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.1 -32.84 72.51 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.662 -0.649 . . . . 10.0 112.077 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.65 -46.0 84.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.032 0.933 . . . . 10.0 111.886 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 28.7 tp -60.03 -47.39 86.06 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.343 0.657 . . . . 10.0 110.821 174.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -54.71 -51.31 65.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.73 1.212 . . . . 10.0 112.62 175.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.6 m -59.12 -50.68 73.14 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.279 1.032 . . . . 10.0 112.01 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . 0.402 ' CD2' HG23 ' A' ' 305' ' ' THR . 5.4 t60 -69.3 -43.32 74.03 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.813 -0.613 . . . . 10.0 111.558 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.65 -40.89 96.5 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.803 1.183 . . . . 10.0 112.811 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.61 -50.12 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 119.457 1.026 . . . . 10.0 110.778 171.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.34 -42.03 99.06 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.856 0.753 . . . . 10.0 112.836 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -58.26 -44.37 88.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.747 1.219 . . . . 10.0 111.432 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -49.58 76.57 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.519 0.728 . . . . 10.0 111.318 175.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.67 -45.68 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.935 0.894 . . . . 10.0 112.067 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -68.05 -38.44 82.48 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' B' ' 657' ' ' ILE . . . -69.36 -25.03 63.98 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.128 0.876 . . . . 10.0 113.293 174.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mt -73.04 -52.51 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.77 0.714 . . . . 10.0 109.388 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.38 106.74 5.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.351 1.06 . . . . 10.0 111.646 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.54 93.48 0.25 Allowed 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 124.059 3.173 . . . . 10.0 110.522 169.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 2.8 p -56.24 139.11 73.4 Favored Pre-proline 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 10.0 113.315 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.58 -29.53 19.84 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.902 2.401 . . . . 10.0 113.547 -172.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.77 167.78 13.79 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.924 1.69 . . . . 10.0 111.744 -173.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.12 -17.22 31.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.558 2.172 . . . . 10.0 114.744 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.73 -35.91 57.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.269 1.395 . . . . 10.0 111.81 169.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.79 69.52 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.754 1.02 . . . . 10.0 113.754 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 61.5 mt -51.62 -25.24 6.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.989 1.716 . . . . 10.0 114.373 171.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -125.57 17.77 8.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.891 1.676 . . . . 10.0 113.529 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.33 146.95 37.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.329 0.652 . . . . 10.0 110.622 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -29.33 20.37 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -90.34 -28.04 18.99 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.134 0.974 . . . . 10.0 112.923 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.49 -39.58 88.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.295 0.952 . . . . 10.0 111.923 171.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -56.9 -39.06 73.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 10.0 112.462 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.27 -39.8 82.05 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.577 -0.702 . . . . 10.0 111.902 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.85 -47.64 84.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.632 0.773 . . . . 10.0 111.543 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 9.9 t -54.72 -43.66 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.847 1.659 . . . . 10.0 111.922 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.14 74.22 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.607 1.163 . . . . 10.0 112.908 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.486 ' CE2' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -61.24 -44.37 97.36 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.532 -0.73 . . . . 10.0 111.121 173.522 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.01 89.39 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.755 0.822 . . . . 10.0 111.642 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.6 -43.81 93.6 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.904 0.774 . . . . 10.0 112.801 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.21 -50.9 69.95 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.562 1.145 . . . . 10.0 112.27 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.73 -32.03 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 118.865 -0.588 . . . . 10.0 112.101 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.54 -42.6 71.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.89 1.223 . . . . 10.0 111.332 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -69.95 -31.57 69.77 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.398 0.999 . . . . 10.0 114.481 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.33 -41.38 69.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.714 1.257 . . . . 10.0 111.571 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 25.4 mmt -66.84 -40.14 87.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.666 1.186 . . . . 10.0 111.56 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.17 -49.3 78.38 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.22 1.408 . . . . 10.0 112.606 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.5 -30.66 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.375 -0.828 . . . . 10.0 112.834 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 71.0 m -81.76 -17.36 47.98 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 -174.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.31 142.68 27.71 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.071 0.948 . . . . 10.0 113.272 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -89.18 -4.78 58.12 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.615 1.166 . . . . 10.0 113.958 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 53.7 p -151.94 163.39 39.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.13 1.372 . . . . 10.0 112.229 173.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -61.49 -39.96 92.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.099 0.96 . . . . 10.0 112.674 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.33 -42.29 96.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.778 0.831 . . . . 10.0 112.078 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.36 -36.79 83.79 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.593 -0.692 . . . . 10.0 112.249 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -54.88 42.0 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.797 0.839 . . . . 10.0 111.719 172.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -53.63 -44.59 69.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.247 0.476 . . . . 10.0 112.177 171.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.87 -40.94 99.04 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.425 -0.797 . . . . 10.0 112.361 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.52 -42.24 98.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.084 0.954 . . . . 10.0 112.271 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.9 -48.53 81.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.463 0.574 . . . . 10.0 111.754 173.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.15 -28.53 61.36 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.59 -42.32 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.913 -1.117 . . . . 10.0 111.602 170.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -60.36 -33.84 73.01 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.063 0.847 . . . . 10.0 112.105 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' B' ' 610' ' ' ALA . 14.1 mm -68.22 -46.41 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.257 0.935 . . . . 10.0 112.679 173.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -58.47 -48.56 80.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.012 0.824 . . . . 10.0 110.807 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -47.89 -57.98 4.98 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.058 1.743 . . . . 10.0 112.531 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.34 -56.09 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.462 0.705 . . . . 10.0 111.201 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.27 -36.52 69.02 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -66.35 -43.21 86.67 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.822 1.192 . . . . 10.0 112.005 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.51 -41.15 80.37 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.069 0.548 . . . . 10.0 111.893 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.59 -44.64 85.99 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.43 -37.29 72.55 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.543 1.065 . . . . 10.0 112.349 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.32 -42.92 87.81 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.929 -1.107 . . . . 10.0 112.704 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -74.23 -8.22 55.43 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.894 1.278 . . . . 10.0 113.874 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -113.65 -20.13 11.32 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.723 1.609 . . . . 10.0 113.152 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -67.35 -17.35 64.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.857 1.263 . . . . 10.0 112.569 169.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 23.6 m -51.14 114.41 1.19 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.042 1.737 . . . . 10.0 112.326 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 71.38 5.81 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.038 1.335 . . . . 10.0 110.637 175.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.918 2.087 . . . . 10.0 113.268 178.192 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.292 0.092 . . . . 10.0 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -154.44 160.39 41.59 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.204 1.402 . . . . 10.0 111.48 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -140.42 0.54 1.68 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.287 1.835 . . . . 10.0 113.437 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.11 -6.17 34.49 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.754 1.645 . . . . 10.0 114.096 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -151.59 172.55 15.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.665 1.986 . . . . 10.0 111.483 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 11.2 mt -126.88 -49.17 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.225 1.01 . . . . 10.0 109.855 170.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.62 115.38 21.78 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.402 1.481 . . . . 10.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.486 ' HD2' ' CE2' ' B' ' 631' ' ' TYR . 72.4 Cg_exo -51.79 135.8 50.24 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 124.657 3.571 . . . . 10.0 112.22 172.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 50.0 p -63.62 -36.7 84.69 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.745 1.017 . . . . 10.0 113.745 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -70.53 -25.34 63.08 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.671 1.188 . . . . 10.0 113.299 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 47.3 mm -80.0 -41.27 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.132 0.973 . . . . 10.0 110.976 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 27.5 ttt -52.5 -45.92 66.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.775 0.83 . . . . 10.0 111.343 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.16 -45.16 64.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.332 1.053 . . . . 10.0 113.324 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.15 -46.86 79.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.638 0.775 . . . . 10.0 111.513 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.2 -39.18 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.777 0.831 . . . . 10.0 111.425 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.43 -44.73 82.06 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.288 0.949 . . . . 10.0 112.222 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.02 -27.46 57.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.302 1.223 . . . . 10.0 114.302 -173.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.46 -41.47 63.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 115.206 1.558 . . . . 10.0 115.206 -173.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 44.7 p -76.88 -35.17 1.37 Allowed Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 115.819 1.785 . . . . 10.0 115.819 -171.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.87 170.6 17.79 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 122.998 2.106 . . . . 10.0 111.616 169.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 24.9 m -64.66 -13.02 52.18 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 61.0 mtt -74.54 42.19 0.16 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.152 2.181 . . . . 10.0 113.277 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -56.3 148.43 18.68 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.036 1.334 . . . . 10.0 114.445 -174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -75.23 163.32 27.63 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.979 1.312 . . . . 10.0 113.011 178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 53.9 tp -149.3 145.1 26.88 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.672 1.589 . . . . 10.0 110.339 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 169.45 -171.6 43.22 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.361 0.982 . . . . 10.0 113.695 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.9 164.44 6.45 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.156 1.382 . . . . 10.0 114.346 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 32.7 t -152.95 147.6 19.25 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.735 1.614 . . . . 10.0 110.665 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.43 -9.95 26.98 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.179 2.586 . . . . 10.0 114.385 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -138.49 160.4 39.65 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.523 1.529 . . . . 10.0 111.628 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.254 1.822 . . . . 10.0 111.737 178.084 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 66.8 mttm . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 115.221 1.563 . . . . 10.0 115.221 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -42.23 -45.15 4.04 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 121.969 2.168 . . . . 10.0 116.836 -169.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.31 -47.1 87.49 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.133 0.879 . . . . 10.0 112.633 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -32.68 74.11 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.99 1.316 . . . . 10.0 112.168 174.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . 0.413 ' HA ' ' CE2' ' B' ' 658' ' ' TYR . 29.0 mm -62.4 -52.04 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 119.42 1.009 . . . . 10.0 110.831 172.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.51 -42.02 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.65 0.78 . . . . 10.0 111.964 175.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.76 -52.33 62.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.444 1.498 . . . . 10.0 112.609 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.94 -38.46 82.88 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.76 -0.587 . . . . 10.0 112.277 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.45 -43.27 94.79 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.453 -0.78 . . . . 10.0 111.743 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.8 -32.08 73.61 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.361 1.464 . . . . 10.0 113.362 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.48 -34.75 69.36 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.848 0.859 . . . . 10.0 113.025 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.13 -55.53 5.04 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.574 0.75 . . . . 10.0 111.011 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 56.6 mtm -56.72 -32.64 65.72 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -171.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 45.4 m -68.6 -20.02 64.48 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 33.5 m -57.69 -33.61 68.55 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.155 1.539 . . . . 10.0 115.155 -169.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.32 -24.09 64.73 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.298 -1.502 . . . . 10.0 114.499 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -78.8 -25.09 44.24 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.407 -0.808 . . . . 10.0 112.48 171.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -77.1 -34.65 56.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.391 1.076 . . . . 10.0 112.018 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.65 -8.34 14.04 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.901 1.28 . . . . 10.0 114.357 176.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -66.55 -9.19 32.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.34 1.456 . . . . 10.0 114.574 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . -151.18 -179.69 27.12 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.564 1.078 . . . . 10.0 114.449 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -80.19 -2.52 45.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.13 1.372 . . . . 10.0 114.434 -173.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -137.86 160.27 39.75 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.974 1.71 . . . . 10.0 111.188 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -146.95 158.55 43.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.066 1.346 . . . . 10.0 112.167 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.271 1.828 . . . . 10.0 113.052 175.333 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.873 -0.491 . . . . 10.0 111.873 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.33 146.62 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.291 1.036 . . . . 10.0 111.022 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -63.36 23.29 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.914 2.886 . . . . 10.0 117.632 -174.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -68.7 32.74 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 128.212 2.605 . . . . 10.0 115.149 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -59.63 -18.2 44.2 Favored Glycine 0 CA--C 1.54 1.597 0 O-C-N 120.386 -1.446 . . . . 10.0 114.497 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -56.19 -20.35 17.61 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.98 -22.32 48.74 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.725 1.21 . . . . 10.0 112.97 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -20.35 55.53 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.007 1.323 . . . . 10.0 114.148 173.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -91.09 4.23 52.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 10.0 113.691 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 17.4 t -113.94 153.06 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.679 1.591 . . . . 10.0 111.031 -173.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 63.8 p -132.5 157.3 44.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.703 1.601 . . . . 10.0 110.511 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -59.49 -34.88 73.14 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.456 -0.777 . . . . 10.0 112.142 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -61.88 -40.19 94.56 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.582 -0.699 . . . . 10.0 112.225 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.79 -43.58 88.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.59 -0.719 . . . . 10.0 111.659 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -55.17 -50.04 70.33 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.462 1.028 . . . . 10.0 111.83 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.4 m -56.85 -49.12 76.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.461 1.105 . . . . 10.0 112.639 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -70.43 -37.19 74.36 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.767 -0.635 . . . . 10.0 111.84 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.52 -35.91 82.49 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.742 1.61 . . . . 10.0 112.255 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 41.4 t -59.38 -48.05 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.037 1.29 . . . . 10.0 109.86 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.15 -47.76 77.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.629 0.772 . . . . 10.0 112.57 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.1 87.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.878 1.271 . . . . 10.0 111.782 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.571 ' HA ' HD11 ' B' ' 657' ' ' ILE . 1.0 OUTLIER -56.38 -59.04 5.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.417 1.087 . . . . 10.0 109.345 169.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.02 -44.28 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.927 1.291 . . . . 10.0 112.976 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -58.65 -41.12 85.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.8 0.84 . . . . 10.0 112.936 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.48 -40.26 43.63 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.318 0.647 . . . . 10.0 112.462 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.14 -46.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.943 1.297 . . . . 10.0 110.889 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -141.36 101.43 6.16 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 123.635 0.774 . . . . 10.0 110.25 170.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.47 95.96 0.72 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.077 2.518 . . . . 10.0 109.027 169.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.7 p -54.18 148.69 21.64 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 125.983 1.713 . . . . 10.0 114.871 -171.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.66 -26.31 19.72 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.302 2.668 . . . . 10.0 113.236 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -161.36 150.21 13.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 126.811 2.044 . . . . 10.0 109.218 -170.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -67.48 -13.71 40.02 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.263 1.975 . . . . 10.0 114.291 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.87 -30.4 61.31 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.647 1.112 . . . . 10.0 111.957 169.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.69 67.85 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.173 -0.954 . . . . 10.0 112.805 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.0 -23.75 48.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.279 1.432 . . . . 10.0 113.803 170.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -104.18 -7.24 20.28 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.069 1.347 . . . . 10.0 114.31 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.25 150.07 49.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.736 0.814 . . . . 10.0 112.147 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -63.39 -27.3 69.21 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.739 -1.225 . . . . 10.0 112.451 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -67.47 -35.44 79.18 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.164 1.385 . . . . 10.0 111.829 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 12.1 tpt -74.05 -37.09 64.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 10.0 111.732 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.27 -36.86 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.815 -1.178 . . . . 10.0 113.231 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.26 -0.9 . . . . 10.0 111.941 170.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -38.41 86.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.761 0.825 . . . . 10.0 112.642 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -43.8 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.948 1.699 . . . . 10.0 111.586 171.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.65 88.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.043 0.937 . . . . 10.0 112.628 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -57.9 -45.48 86.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.496 1.118 . . . . 10.0 111.914 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.73 94.94 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.181 -0.949 . . . . 10.0 112.438 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.83 -44.27 94.15 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.317 0.962 . . . . 10.0 112.353 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -61.1 -46.07 92.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.185 0.994 . . . . 10.0 112.103 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.93 -52.36 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.4 0.546 . . . . 10.0 110.761 174.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -55.51 -45.16 77.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.969 0.804 . . . . 10.0 112.491 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.54 87.52 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.914 0.769 . . . . 10.0 114.178 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.65 -36.49 57.32 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.742 1.271 . . . . 10.0 111.939 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 32.9 mmt -68.35 -40.61 81.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.759 0.824 . . . . 10.0 110.814 175.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.41 -46.75 88.87 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.517 1.527 . . . . 10.0 112.955 172.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.58 -28.2 69.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.895 0.878 . . . . 10.0 112.728 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 67.7 m -87.34 -36.7 17.68 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.168 1.173 . . . . 10.0 114.168 -175.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.26 19.41 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.907 1.818 . . . . 10.0 115.907 -169.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -69.45 -22.81 63.62 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.066 1.746 . . . . 10.0 113.704 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 72.8 p -148.4 165.47 31.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.217 1.407 . . . . 10.0 112.998 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -57.14 -42.38 80.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.068 1.347 . . . . 10.0 112.364 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -43.75 87.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.117 0.967 . . . . 10.0 111.458 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.05 -34.56 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.841 -0.537 . . . . 10.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.1 -60.42 3.86 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.911 1.284 . . . . 10.0 112.096 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -51.32 -44.37 61.95 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 169.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.42 -42.6 99.56 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.023 0.829 . . . . 10.0 112.724 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.03 -44.43 89.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.613 1.165 . . . . 10.0 112.304 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.97 -53.94 50.84 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.2 0.6 . . . . 10.0 110.693 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -32.7 74.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.831 1.252 . . . . 10.0 113.353 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.22 -49.0 66.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.347 1.459 . . . . 10.0 112.226 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -63.16 -40.17 96.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.475 0.71 . . . . 10.0 110.888 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' B' ' 607' ' ' LEU . 3.5 mm -56.01 -38.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 124.575 1.15 . . . . 10.0 111.228 169.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . 0.413 ' CE2' ' HA ' ' A' ' 295' ' ' ILE . 0.1 OUTLIER -72.56 -42.9 64.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.655 1.116 . . . . 10.0 112.697 -178.708 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -50.54 -57.6 7.75 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.627 0.649 . . . . 10.0 109.381 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 77.8 mt -55.07 -53.52 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 O-C-N 123.748 0.655 . . . . 10.0 111.431 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.55 -50.11 75.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.223 -0.923 . . . . 10.0 113.114 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.11 -52.21 37.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.145 0.978 . . . . 10.0 112.642 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.54 -31.68 68.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.113 . . . . 10.0 112.828 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.23 -61.6 1.84 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.512 0.725 . . . . 10.0 110.589 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -50.35 74.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.347 1.059 . . . . 10.0 113.752 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.28 -8.68 57.06 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.828 0.851 . . . . 10.0 113.241 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -102.61 -28.15 12.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.188 1.395 . . . . 10.0 112.573 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -33.08 74.91 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.246 1.018 . . . . 10.0 110.912 169.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -57.72 -31.24 66.24 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.95 1.7 . . . . 10.0 113.98 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 17.2 m -65.2 -9.78 26.17 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.591 1.7 . . . . 10.0 115.591 -174.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -63.05 -18.68 63.62 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.376 1.621 . . . . 10.0 115.376 176.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.663 1.985 . . . . 10.0 112.656 -178.777 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 119.584 -0.246 . . . . 10.0 110.417 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -66.7 161.83 22.6 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.813 1.245 . . . . 10.0 112.26 171.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -64.6 159.84 20.97 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.681 1.193 . . . . 10.0 113.296 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -179.68 -175.2 46.28 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.749 1.166 . . . . 10.0 113.403 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -144.38 132.08 21.2 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.11 1.364 . . . . 10.0 110.615 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 8.6 mm -58.89 -23.45 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.92 1.688 . . . . 10.0 113.562 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.4 tp -124.99 82.18 61.72 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.642 1.977 . . . . 10.0 110.444 -170.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.07 143.05 33.04 Favored 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 125.725 4.283 . . . . 10.0 114.689 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 15.8 m -56.0 -42.2 76.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.058 1.503 . . . . 10.0 115.058 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.45 -39.58 81.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.307 0.643 . . . . 10.0 112.652 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.6 mp -67.24 -45.79 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.192 0.997 . . . . 10.0 110.679 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 60.8 ttp -58.65 -52.48 65.52 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.482 1.113 . . . . 10.0 111.979 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.85 -41.36 74.19 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.792 0.837 . . . . 10.0 113.077 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -61.56 -44.56 96.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.242 0.617 . . . . 10.0 112.114 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.92 -42.24 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.544 -0.722 . . . . 10.0 111.519 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.06 -37.43 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.948 1.249 . . . . 10.0 112.556 177.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -66.07 -47.42 74.35 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.908 1.283 . . . . 10.0 112.093 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -80.06 -40.7 27.13 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.143 1.534 . . . . 10.0 115.143 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 24.5 p -59.42 -28.9 5.06 Favored Pre-proline 0 N--CA 1.479 1.02 0 N-CA-C 117.76 2.504 . . . . 10.0 117.76 -173.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -75.12 -14.45 20.88 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 CA-C-N 123.182 2.172 . . . . 10.0 114.145 173.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 50.0 m -77.08 159.53 29.75 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.196 0.999 . . . . 10.0 112.819 178.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 36.5 tpp -152.43 166.84 30.67 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.105 1.362 . . . . 10.0 111.609 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -57.65 165.05 1.77 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.007 1.723 . . . . 10.0 113.505 174.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -138.35 -173.87 3.66 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.829 1.652 . . . . 10.0 112.121 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.16 147.66 19.98 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.055 1.342 . . . . 10.0 112.772 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 169.05 -158.13 30.53 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.807 1.67 . . . . 10.0 112.019 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -141.02 159.74 41.58 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.725 1.21 . . . . 10.0 112.645 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 75.7 m -144.77 155.27 56.2 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.594 1.558 . . . . 10.0 111.734 -173.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.5 166.47 27.17 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.247 2.631 . . . . 10.0 112.348 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -129.46 4.69 5.14 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.978 1.311 . . . . 10.0 113.379 -175.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.255 1.364 0 C-N-CA 126.134 1.774 . . . . 10.0 111.413 -177.517 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . 0.466 ' HE2' HD11 ' A' ' 295' ' ' ILE . 10.5 ptmm? . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.134 0.016 . . . . 10.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -139.15 -51.69 0.54 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.954 1.094 . . . . 10.0 113.954 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.8 -57.96 10.45 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -67.91 -28.09 67.2 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.273 0.629 . . . . 10.0 112.683 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . 0.466 HD11 ' HE2' ' A' ' 291' ' ' LYS . 42.3 mm -63.46 -53.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.416 1.086 . . . . 10.0 110.248 175.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -61.39 -42.42 98.69 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.221 1.008 . . . . 10.0 111.728 173.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.74 -56.93 14.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.664 1.186 . . . . 10.0 112.263 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.71 -42.56 88.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.768 1.227 . . . . 10.0 111.978 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -64.51 -39.74 94.33 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.159 0.583 . . . . 10.0 111.808 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.91 -25.47 62.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.872 1.669 . . . . 10.0 113.981 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 25.1 mt -51.89 -37.0 50.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.863 1.211 . . . . 10.0 113.625 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.57 -58.18 3.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.317 1.047 . . . . 10.0 112.32 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 70.5 mtm -60.68 -26.64 67.25 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.655 1.354 . . . . 10.0 114.655 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 90.1 p -68.83 -19.9 64.28 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 174.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 13.7 m -60.01 -29.72 68.67 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.53 -22.4 55.3 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.391 -1.443 . . . . 10.0 114.197 173.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -79.77 -31.91 40.93 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.321 0.964 . . . . 10.0 112.803 169.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.05 -37.89 89.06 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.099 -1.001 . . . . 10.0 111.948 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.41 -17.66 59.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.575 1.15 . . . . 10.0 113.962 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -72.03 -28.57 63.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.048 0.939 . . . . 10.0 113.09 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 138.19 168.65 11.37 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.521 1.534 . . . . 10.0 113.675 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.46 -24.09 67.5 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.375 1.07 . . . . 10.0 113.026 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -80.32 0.13 34.25 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.502 1.921 . . . . 10.0 113.942 -175.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -121.19 17.87 11.55 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.685 1.594 . . . . 10.0 113.517 -171.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.816 2.046 . . . . 10.0 110.737 -178.376 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 111.565 -0.614 . . . . 10.0 111.565 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 62.0 t -136.89 142.04 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.928 1.691 . . . . 10.0 109.219 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -136.64 163.47 30.49 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.266 1.426 . . . . 10.0 112.139 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -103.99 154.31 19.82 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.494 1.918 . . . . 10.0 111.34 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -153.32 4.19 0.33 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.283 1.273 . . . . 10.0 116.283 -173.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -68.49 -6.43 24.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.963 1.382 . . . . 10.0 114.248 172.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -57.07 -21.78 34.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.896 2.078 . . . . 10.0 114.558 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.41 -24.16 53.79 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.361 1.464 . . . . 10.0 114.077 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.43 -4.55 40.19 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 74.8 t -133.06 157.99 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.562 1.945 . . . . 10.0 110.409 -174.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 12.2 t -147.11 159.48 43.56 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.992 1.317 . . . . 10.0 110.668 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -55.33 -39.3 69.81 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.502 -0.749 . . . . 10.0 112.481 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.16 -28.04 69.13 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.491 0.923 . . . . 10.0 113.491 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.55 -52.19 28.6 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.342 0.657 . . . . 10.0 109.708 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.75 -38.35 81.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.675 1.19 . . . . 10.0 113.561 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 69.9 m -48.08 -45.32 32.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.709 0.804 . . . . 10.0 112.838 170.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -75.53 -41.36 55.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.472 0.709 . . . . 10.0 111.622 176.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.45 -34.57 77.06 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.155 1.343 . . . . 10.0 112.923 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.88 -48.82 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.188 0.995 . . . . 10.0 109.971 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -60.85 -38.25 84.87 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.905 0.775 . . . . 10.0 112.89 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.26 -46.04 91.18 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.976 1.31 . . . . 10.0 111.663 174.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.37 -53.38 58.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.536 1.134 . . . . 10.0 110.3 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.75 -40.57 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.863 1.265 . . . . 10.0 113.244 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.71 -36.13 83.3 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.022 1.283 . . . . 10.0 112.892 177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.03 73.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.197 0.453 . . . . 10.0 112.158 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 29.3 mt -69.55 -46.17 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.613 0.765 . . . . 10.0 111.452 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 0.6 OUTLIER -142.9 104.56 5.26 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.189 0.995 . . . . 10.0 110.618 171.156 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.47 92.57 0.13 Allowed 'Trans proline' 0 CA--C 1.548 1.197 0 C-N-CA 124.303 3.335 . . . . 10.0 110.676 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.8 t -51.07 143.29 16.48 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 126.297 1.839 . . . . 10.0 114.858 -171.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.438 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 83.4 Cg_endo -80.68 -25.96 4.09 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.216 2.611 . . . . 10.0 113.011 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -164.98 147.76 7.02 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.106 1.762 . . . . 10.0 110.333 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.33 -12.9 36.31 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.363 2.042 . . . . 10.0 114.322 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.61 -25.06 36.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.931 1.241 . . . . 10.0 112.201 169.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.51 -27.62 67.14 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.924 -1.11 . . . . 10.0 112.338 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.01 -19.47 12.77 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.396 1.478 . . . . 10.0 114.315 171.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -119.79 16.18 12.67 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.393 1.477 . . . . 10.0 114.022 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.18 148.72 43.69 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.628 -0.67 . . . . 10.0 110.95 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -31.59 64.13 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.703 1.201 . . . . 10.0 114.047 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -85.12 -29.32 24.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.656 0.782 . . . . 10.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.69 -34.79 79.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.0 0.818 . . . . 10.0 111.038 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.13 -38.1 72.97 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.731 1.15 . . . . 10.0 113.086 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -66.97 -41.58 86.61 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.604 -0.685 . . . . 10.0 111.527 174.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.92 -45.79 92.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.663 1.185 . . . . 10.0 111.941 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 8.0 t -57.11 -46.43 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.463 1.505 . . . . 10.0 111.699 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.8 89.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.408 1.083 . . . . 10.0 112.613 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 5.4 t80 -58.97 -45.88 89.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.854 1.262 . . . . 10.0 111.886 171.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.9 89.18 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.959 0.904 . . . . 10.0 112.351 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.34 -44.03 97.45 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.093 0.861 . . . . 10.0 112.4 170.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -46.99 88.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.14 1.376 . . . . 10.0 111.738 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.69 -52.02 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.895 0.878 . . . . 10.0 110.689 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -54.75 -46.8 74.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.349 0.977 . . . . 10.0 111.944 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.99 -27.28 72.04 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.032 0.825 . . . . 10.0 114.418 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -82.09 -39.62 23.12 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.724 1.262 . . . . 10.0 111.348 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 16.9 mmt -65.36 -38.7 90.86 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.909 0.884 . . . . 10.0 111.331 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.34 -25.15 65.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.144 1.778 . . . . 10.0 113.723 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -99.21 -5.1 30.56 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.649 1.18 . . . . 10.0 113.046 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 70.3 m -107.58 11.46 28.62 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.276 1.431 . . . . 10.0 114.156 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -129.38 149.75 51.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.774 1.229 . . . . 10.0 113.038 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -5.55 45.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.021 1.328 . . . . 10.0 113.534 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 77.5 p -152.16 162.71 40.72 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.502 1.521 . . . . 10.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -56.0 -42.0 75.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.551 1.14 . . . . 10.0 111.996 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.99 -43.4 95.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.344 1.058 . . . . 10.0 112.007 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.25 -38.57 85.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.618 -0.676 . . . . 10.0 112.071 173.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -58.3 -51.27 70.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.133 0.973 . . . . 10.0 112.315 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -45.31 75.62 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 170.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.79 -39.05 87.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.572 0.624 . . . . 10.0 112.388 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.94 -44.14 85.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.635 0.774 . . . . 10.0 112.52 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.33 -46.86 79.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.223 0.919 . . . . 10.0 111.045 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.39 73.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.352 1.061 . . . . 10.0 113.29 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.44 -42.13 99.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.462 -0.774 . . . . 10.0 111.492 171.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -35.25 72.69 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.503 175.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.15 -52.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.735 1.152 . . . . 10.0 109.071 168.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . 0.424 ' HE2' HD12 ' A' ' 295' ' ' ILE . 57.3 t80 -56.37 -50.88 70.26 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.872 0.869 . . . . 10.0 111.739 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.0 tmpt? -56.01 -51.56 67.33 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.744 0.818 . . . . 10.0 112.086 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.99 -37.78 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.09 0.556 . . . . 10.0 110.491 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -65.18 -48.99 71.53 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.228 -0.92 . . . . 10.0 111.431 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' B' ' 662' ' ' LYS . 6.2 mmpt? -64.92 -36.07 83.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.646 1.578 . . . . 10.0 112.564 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.44 -52.51 64.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 10.0 111.886 170.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.77 -41.26 86.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.826 1.194 . . . . 10.0 112.212 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -65.73 -0.46 2.16 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -125.67 -35.07 2.57 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.488 1.115 . . . . 10.0 112.718 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.85 -13.48 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.53 1.532 . . . . 10.0 114.135 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -111.9 -1.03 15.63 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.541 1.537 . . . . 10.0 113.448 171.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -77.24 -23.54 51.29 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.652 1.181 . . . . 10.0 111.998 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 60.8 p -58.63 -12.92 4.64 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.714 2.006 . . . . 10.0 115.941 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -64.69 -24.22 67.51 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.193 1.397 . . . . 10.0 114.015 172.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.364 1.466 . . . . 10.0 112.63 177.685 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.539 0.209 . . . . 10.0 111.294 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -144.31 150.72 38.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.072 1.349 . . . . 10.0 111.524 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -69.71 -21.24 63.5 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.128 1.529 . . . . 10.0 115.128 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 160.47 -39.55 0.44 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.421 1.01 . . . . 10.0 113.559 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -150.4 145.2 25.93 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.397 1.479 . . . . 10.0 110.225 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.87 -26.91 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 127.019 2.128 . . . . 10.0 115.204 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 24.8 tp -110.72 99.7 42.83 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.584 1.954 . . . . 10.0 111.953 -169.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 93.2 Cg_exo -51.26 148.53 18.52 Favored 'Trans proline' 0 C--N 1.351 0.669 1 C-N-CA 125.785 4.323 . . . . 10.0 114.815 171.647 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 20.1 m -58.83 -36.26 74.24 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.4 -37.72 87.82 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.991 0.814 . . . . 10.0 112.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 4.4 mp -77.18 -44.8 30.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.708 0.803 . . . . 10.0 109.393 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 63.1 ttp -53.92 -51.08 64.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.732 0.696 . . . . 10.0 112.071 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.04 -43.11 66.37 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.084 1.354 . . . . 10.0 112.895 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.11 -46.38 67.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.791 0.837 . . . . 10.0 112.145 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.63 -36.73 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.71 1.204 . . . . 10.0 112.207 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.86 -46.17 79.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.387 0.994 . . . . 10.0 111.84 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -78.89 -45.29 20.92 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -170.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.88 -47.97 70.21 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 37.3 p -64.48 -44.24 74.26 Favored Pre-proline 0 N--CA 1.477 0.893 0 N-CA-C 115.999 1.852 . . . . 10.0 115.999 -171.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.58 -28.44 4.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 CA-C-N 123.083 2.137 . . . . 10.0 114.495 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 65.0 p -158.52 -42.71 0.06 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.397 1.628 . . . . 10.0 115.397 -169.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 44.1 mtt -82.76 43.94 0.88 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.685 1.13 . . . . 10.0 112.42 -175.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -65.81 63.67 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 129.386 3.074 . . . . 10.0 114.189 -170.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -153.51 175.86 12.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.808 1.643 . . . . 10.0 113.276 -172.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.79 81.81 0.45 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.834 1.654 . . . . 10.0 110.188 170.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -69.97 -9.61 63.41 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 117.469 1.748 . . . . 10.0 117.469 -169.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -137.61 -20.4 1.17 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.084 1.942 . . . . 10.0 113.83 -175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 1.8 t -62.48 144.67 95.41 Favored Pre-proline 0 CA--C 1.547 0.828 0 O-C-N 120.969 -1.082 . . . . 10.0 111.817 170.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.55 147.74 29.33 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.775 2.983 . . . . 10.0 114.821 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -132.81 -0.83 3.42 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.055 1.342 . . . . 10.0 113.644 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.807 2.043 . . . . 10.0 111.805 -179.167 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.26 -34.08 66.05 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.706 1.372 . . . . 10.0 114.706 -170.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -55.46 -41.95 73.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.931 0.892 . . . . 10.0 112.628 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -77.98 -30.51 50.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.834 0.853 . . . . 10.0 111.983 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . 0.554 ' HA ' ' CE2' ' B' ' 658' ' ' TYR . 16.5 mm -60.62 -51.11 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.431 0.692 . . . . 10.0 109.766 169.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -63.96 -37.69 88.34 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.177 1.391 . . . . 10.0 112.739 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.96 -52.82 64.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.963 1.305 . . . . 10.0 112.15 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.46 -34.76 79.04 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.613 0.642 . . . . 10.0 112.151 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.66 -43.22 97.36 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.267 -0.896 . . . . 10.0 112.363 171.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.46 -28.56 69.3 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.772 1.229 . . . . 10.0 112.812 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.96 -44.73 70.98 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.7 1.136 . . . . 10.0 112.054 173.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.88 -53.31 21.96 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.801 0.84 . . . . 10.0 111.728 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 19.4 ttp -64.32 -25.24 67.95 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -169.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.8 t -63.47 -19.78 65.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.016 1.727 . . . . 10.0 114.417 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 9.4 m -53.91 -33.4 56.54 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.449 -1.407 . . . . 10.0 114.117 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -61.32 -31.63 71.49 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.351 0.978 . . . . 10.0 113.124 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -77.78 -40.61 40.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.25 1.02 . . . . 10.0 111.497 172.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.38 -34.83 69.25 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.717 1.144 . . . . 10.0 112.331 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 1.9 mp -67.74 -22.27 65.24 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.283 1.833 . . . . 10.0 114.847 172.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -66.77 -37.49 84.7 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.135 0.974 . . . . 10.0 111.661 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 144.42 148.97 4.96 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.825 1.678 . . . . 10.0 112.908 170.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -64.74 -5.35 5.64 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.953 1.834 . . . . 10.0 115.953 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -122.27 9.64 9.83 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.755 1.622 . . . . 10.0 112.97 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -139.77 -12.72 1.12 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.082 1.512 . . . . 10.0 115.082 -172.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.465 2.306 . . . . 10.0 115.423 176.519 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.878 -0.489 . . . . 10.0 111.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.98 128.72 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.427 1.091 . . . . 10.0 110.967 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.3 148.48 51.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.567 1.547 . . . . 10.0 111.657 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -125.79 4.67 7.39 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.997 1.319 . . . . 10.0 113.762 -169.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 78.06 -43.92 2.29 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 126.322 1.915 . . . . 10.0 116.116 169.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -66.69 -13.74 61.65 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.359 1.615 . . . . 10.0 115.359 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -54.0 -29.31 42.76 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.898 1.679 . . . . 10.0 114.248 -169.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.02 -18.92 38.94 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.248 1.573 . . . . 10.0 115.248 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.8 -9.6 58.71 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.262 1.208 . . . . 10.0 114.262 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.01 152.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.236 1.414 . . . . 10.0 111.197 -174.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 11.4 t -150.38 161.75 41.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.811 1.645 . . . . 10.0 111.095 -177.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -59.94 -29.86 68.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.82 -34.97 78.98 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.273 0.942 . . . . 10.0 112.486 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.53 -54.95 15.61 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.105 0.962 . . . . 10.0 110.093 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.1 -37.29 79.54 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.909 1.077 . . . . 10.0 113.909 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 75.3 m -49.48 -46.4 48.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.935 0.894 . . . . 10.0 112.486 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.54 -35.72 29.96 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.618 0.767 . . . . 10.0 112.604 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.43 -47.55 85.21 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.778 1.172 . . . . 10.0 111.701 176.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.15 -46.16 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.664 1.12 . . . . 10.0 110.713 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.99 -52.29 51.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.277 0.631 . . . . 10.0 111.939 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -72.44 -32.09 66.0 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.974 0.91 . . . . 10.0 113.258 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.401 ' HA ' HD11 ' B' ' 657' ' ' ILE . 0.8 OUTLIER -58.97 -52.88 63.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.527 1.531 . . . . 10.0 108.933 169.682 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.83 -47.29 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.693 1.597 . . . . 10.0 112.737 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.78 -42.46 84.16 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.991 0.917 . . . . 10.0 112.452 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.83 62.52 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.66 -43.35 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.861 0.864 . . . . 10.0 111.573 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -141.44 96.01 7.11 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.079 0.552 . . . . 10.0 111.431 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -62.98 92.55 0.14 Allowed 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 124.309 3.339 . . . . 10.0 109.736 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.7 p -56.68 148.9 44.36 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 125.41 1.484 . . . . 10.0 114.318 -171.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.75 -29.18 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.991 2.461 . . . . 10.0 113.22 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -157.59 162.36 27.41 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 126.193 1.797 . . . . 10.0 111.316 -174.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.32 -5.56 17.35 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.9 2.4 . . . . 10.0 115.436 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.05 -31.03 15.72 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.947 1.249 . . . . 10.0 111.352 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.61 64.9 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.292 0.951 . . . . 10.0 113.125 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 27.1 mt -53.08 -28.43 25.07 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.492 1.517 . . . . 10.0 114.092 169.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.91 1.64 24.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.077 1.751 . . . . 10.0 113.091 -176.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -60.42 148.82 36.03 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.02 0.827 . . . . 10.0 112.47 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . 0.525 ' HD2' ' H ' ' B' ' 623' ' ' ARG . 0.0 OUTLIER -47.67 -43.4 26.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.173 1.789 . . . . 10.0 113.362 178.097 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -79.29 -29.32 42.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.461 1.504 . . . . 10.0 112.108 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 11.8 tpt -67.62 -36.71 81.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.445 0.566 . . . . 10.0 111.562 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.38 -34.78 78.47 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.064 -1.022 . . . . 10.0 113.032 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -66.57 -40.75 89.15 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.27 -0.894 . . . . 10.0 111.956 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.6 tt -62.03 -44.78 95.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.164 0.986 . . . . 10.0 111.658 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 4.8 t -54.89 -45.54 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.804 1.642 . . . . 10.0 112.242 170.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.36 86.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.164 -0.96 . . . . 10.0 112.819 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.582 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.0 OUTLIER -60.71 -44.33 96.71 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.698 0.799 . . . . 10.0 111.407 170.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.44 97.77 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.602 -0.686 . . . . 10.0 112.26 173.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.23 -45.28 95.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.15 0.886 . . . . 10.0 112.713 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -47.73 84.61 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.858 1.263 . . . . 10.0 111.95 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.73 -36.61 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.551 -0.738 . . . . 10.0 112.321 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -55.02 -46.09 75.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.497 1.499 . . . . 10.0 112.169 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -67.1 -28.67 73.84 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.491 0.567 . . . . 10.0 114.324 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.18 -36.95 46.8 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.495 1.147 . . . . 10.0 111.801 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -68.67 -35.14 76.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.996 1.319 . . . . 10.0 111.237 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.82 -52.69 62.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.198 1.399 . . . . 10.0 111.958 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.06 -22.48 66.95 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.887 -1.133 . . . . 10.0 114.017 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 68.2 m -80.55 -4.68 54.9 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.515 1.302 . . . . 10.0 114.515 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -113.45 149.94 33.51 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.502 1.046 . . . . 10.0 113.453 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.57 -0.54 21.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.526 1.531 . . . . 10.0 113.357 175.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.5 p -151.68 160.13 43.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.216 1.406 . . . . 10.0 111.918 171.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.52 74.5 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.48 1.112 . . . . 10.0 112.755 172.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.22 -46.56 83.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.047 0.939 . . . . 10.0 111.917 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.48 -38.73 87.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.299 0.639 . . . . 10.0 112.219 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -57.4 -55.98 27.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 10.0 112.323 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -52.71 -45.79 67.05 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 170.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -62.14 -38.27 88.35 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.606 0.639 . . . . 10.0 112.213 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 55.1 mt -65.82 -44.09 86.63 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.046 0.839 . . . . 10.0 112.764 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 67.7 mt -58.01 -49.65 76.13 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.852 0.751 . . . . 10.0 110.958 171.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.17 67.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.627 1.171 . . . . 10.0 113.686 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.76 -48.35 69.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.95 -1.094 . . . . 10.0 111.629 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.57 -33.44 75.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.815 0.734 . . . . 10.0 112.327 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' B' ' 607' ' ' LEU . 2.2 mm -62.23 -46.78 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.761 1.224 . . . . 10.0 111.307 172.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . 0.554 ' CE2' ' HA ' ' A' ' 295' ' ' ILE . 1.5 t80 -66.56 -42.46 87.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.117 -0.944 . . . . 10.0 110.924 177.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -50.79 -55.77 15.25 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.952 1.251 . . . . 10.0 111.933 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.69 -48.16 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.952 0.901 . . . . 10.0 111.197 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.58 -53.78 46.39 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.62 0.645 . . . . 10.0 112.148 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.64 -34.94 75.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.713 2.405 . . . . 10.0 113.174 -177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.26 -64.1 0.98 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.426 0.69 . . . . 10.0 111.873 170.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.25 -33.88 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -169.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.91 -12.02 22.35 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -108.95 -56.98 2.21 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.895 1.278 . . . . 10.0 110.907 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.45 -12.69 23.38 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.993 1.479 . . . . 10.0 114.993 -174.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -119.68 2.51 11.15 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.041 1.337 . . . . 10.0 113.593 175.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.38 -10.68 0.22 Allowed 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 117.579 2.437 . . . . 10.0 117.579 -171.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 22.8 t -52.78 -46.38 67.57 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.227 1.565 . . . . 10.0 115.227 -169.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -124.31 -35.48 2.78 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.418 1.487 . . . . 10.0 112.319 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 127.894 2.478 . . . . 10.0 110.718 -177.77 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.642 0.258 . . . . 10.0 111.146 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.87 -17.92 64.64 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.334 1.054 . . . . 10.0 113.441 172.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -74.16 56.66 0.63 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.064 1.745 . . . . 10.0 113.402 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -66.87 -9.36 52.65 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.316 1.436 . . . . 10.0 115.478 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -136.98 159.72 41.04 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.687 1.995 . . . . 10.0 109.822 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 1.7 mt -75.32 21.31 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 125.183 1.393 . . . . 10.0 112.747 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 56.3 tp -132.67 83.8 52.37 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 129.104 2.962 . . . . 10.0 106.694 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 12.5 Cg_exo -39.87 132.92 1.88 Allowed 'Trans proline' 0 C--N 1.35 0.65 1 C-N-CA 126.801 5.001 . . . . 10.0 114.492 177.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 49.1 p -52.05 -41.41 62.29 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.264 1.95 . . . . 10.0 116.264 -169.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.42 -34.03 76.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.443 -0.785 . . . . 10.0 112.811 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 2.0 mp -78.88 -41.13 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.7 0.8 . . . . 10.0 109.883 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 44.2 ttm -49.5 -54.22 19.08 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.537 1.135 . . . . 10.0 110.861 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.16 -39.24 66.36 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 10.0 113.556 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.66 -43.05 97.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.45 0.7 . . . . 10.0 112.1 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.68 -46.3 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.922 0.783 . . . . 10.0 111.598 174.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.27 -31.37 70.16 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.153 0.888 . . . . 10.0 112.927 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -78.62 -42.12 29.72 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.067 1.347 . . . . 10.0 112.744 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -79.98 -42.86 23.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.225 1.195 . . . . 10.0 114.225 -174.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 35.9 p -66.4 -29.1 2.65 Favored Pre-proline 0 N--CA 1.475 0.814 0 N-CA-C 117.553 2.427 . . . . 10.0 117.553 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -73.07 92.23 0.82 Allowed 'Trans proline' 0 C--N 1.355 0.901 0 CA-C-N 123.389 2.246 . . . . 10.0 112.558 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 14.7 m -151.39 147.97 27.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.243 1.817 . . . . 10.0 110.407 171.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -23.86 63.76 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.901 1.445 . . . . 10.0 114.901 -176.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -70.52 -20.93 62.79 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.072 1.349 . . . . 10.0 113.791 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -75.23 169.72 17.49 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.952 0.901 . . . . 10.0 112.106 173.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 4.3 pp -142.54 163.43 32.85 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.867 1.267 . . . . 10.0 112.479 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . 163.38 155.47 8.18 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.765 1.174 . . . . 10.0 113.403 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.96 173.16 14.85 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.517 1.527 . . . . 10.0 111.712 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 9.7 m -154.44 148.72 19.26 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.882 1.273 . . . . 10.0 111.306 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -79.47 -9.78 14.81 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.916 3.077 . . . . 10.0 113.963 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -148.27 143.67 27.11 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.991 1.716 . . . . 10.0 110.219 -171.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.685 1.594 . . . . 10.0 112.686 -178.019 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.983 0.42 . . . . 10.0 110.751 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.29 -52.63 0.07 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 -171.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -66.39 -49.42 66.88 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.656 1.116 . . . . 10.0 111.077 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -21.59 63.41 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.499 1.296 . . . . 10.0 114.499 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . . . . . . . . . 34.9 mm -69.55 -53.7 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.635 1.174 . . . . 10.0 109.768 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -66.67 -42.48 86.49 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.395 0.678 . . . . 10.0 111.448 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.25 -47.65 80.84 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.943 1.297 . . . . 10.0 113.031 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.88 -46.53 90.24 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.076 0.853 . . . . 10.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.14 -40.31 85.1 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 121.406 0.622 . . . . 10.0 110.881 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.22 -20.1 63.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.033 2.133 . . . . 10.0 115.283 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.96 -38.71 86.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.938 1.699 . . . . 10.0 112.377 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.42 -33.01 70.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.28 0.632 . . . . 10.0 112.175 169.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 54.4 ttm -71.8 -36.58 70.33 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.911 1.232 . . . . 10.0 111.183 -176.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 18.3 t -53.49 -28.4 30.73 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.262 1.425 . . . . 10.0 112.689 172.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . 0.445 HG23 ' CD2' ' B' ' 602' ' ' HIS . 38.9 m -55.34 -45.8 76.41 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.105 0.962 . . . . 10.0 112.724 172.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.11 -34.92 68.98 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.131 -0.981 . . . . 10.0 111.576 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -61.67 -41.97 98.28 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.404 -0.81 . . . . 10.0 112.176 173.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.2 -23.86 66.52 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.971 1.308 . . . . 10.0 114.103 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.95 -26.85 11.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.833 1.253 . . . . 10.0 113.709 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -148.22 1.63 0.64 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.621 1.341 . . . . 10.0 114.621 -170.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 79.43 174.47 46.09 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 122.259 0.922 . . . . 10.0 114.475 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.98 18.05 0.07 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.937 2.095 . . . . 10.0 115.345 -177.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.63 -14.17 28.55 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.441 1.645 . . . . 10.0 115.441 -171.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -132.7 14.36 4.41 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.744 1.618 . . . . 10.0 113.203 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.35 1.86 . . . . 10.0 113.336 -179.447 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 CA-C-O 119.541 -0.588 . . . . 10.0 111.923 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.78 147.0 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 125.421 1.488 . . . . 10.0 111.559 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -105.84 35.24 2.96 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.89 1.676 . . . . 10.0 114.028 -169.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.92 52.64 0.15 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.824 2.049 . . . . 10.0 113.573 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . -77.24 -13.15 83.91 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.198 1.38 . . . . 10.0 114.439 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -60.12 -13.64 13.0 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.328 1.603 . . . . 10.0 115.328 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -58.39 -21.73 51.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.292 1.437 . . . . 10.0 112.915 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.79 -21.03 64.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.736 1.384 . . . . 10.0 114.736 172.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -87.63 3.66 46.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.792 1.237 . . . . 10.0 113.478 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 40.6 t -112.19 150.43 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.567 1.547 . . . . 10.0 111.673 -169.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 70.4 p -135.09 158.09 45.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.048 1.739 . . . . 10.0 110.8 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.26 -32.73 72.55 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.269 -0.894 . . . . 10.0 112.102 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.29 -43.06 99.5 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.137 0.975 . . . . 10.0 112.13 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.48 -46.49 88.22 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.313 0.645 . . . . 10.0 111.467 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -57.55 -48.96 77.89 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.806 0.73 . . . . 10.0 111.353 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 64.6 m -58.4 -50.12 74.81 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.036 . . . . 10.0 112.683 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . 0.445 ' CD2' HG23 ' A' ' 305' ' ' THR . 6.6 t60 -73.63 -36.71 65.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.876 0.47 . . . . 10.0 111.992 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.7 -40.54 95.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.657 1.117 . . . . 10.0 111.971 172.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.15 -44.23 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.585 1.084 . . . . 10.0 111.035 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.17 -46.69 82.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.132 0.878 . . . . 10.0 112.159 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -60.25 -43.46 96.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.355 1.062 . . . . 10.0 111.842 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -56.39 19.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.559 1.144 . . . . 10.0 110.543 170.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -47.28 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.015 1.326 . . . . 10.0 112.195 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -64.22 -36.92 85.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.584 0.629 . . . . 10.0 112.641 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.86 66.13 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 175.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 27.4 mt -67.7 -54.3 24.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 121.714 -0.616 . . . . 10.0 109.917 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' C' ' 856' ' ' ASN . 1.0 OUTLIER -141.14 102.86 6.16 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.105 0.962 . . . . 10.0 110.048 173.711 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.52 101.54 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.052 2.501 . . . . 10.0 109.4 169.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.2 p -56.05 147.6 44.07 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.453 1.501 . . . . 10.0 114.321 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.34 -33.61 23.26 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 112.893 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -150.84 159.69 33.58 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.715 2.406 . . . . 10.0 109.116 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.16 -15.86 39.63 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.62 2.214 . . . . 10.0 113.328 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.06 -33.29 74.29 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.325 -0.86 . . . . 10.0 112.066 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.07 -26.53 66.78 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.396 -0.815 . . . . 10.0 113.033 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.96 -22.6 49.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.789 1.236 . . . . 10.0 113.377 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 3.42 26.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.322 1.849 . . . . 10.0 112.931 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.96 140.12 58.35 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.362 -0.836 . . . . 10.0 111.813 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -3.04 0.11 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.479 2.029 . . . . 10.0 116.479 177.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -116.96 -28.04 6.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.171 1.789 . . . . 10.0 112.906 174.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 15.6 tpt -62.17 -28.34 69.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.396 0.998 . . . . 10.0 112.091 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -55.54 -27.46 49.06 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -72.52 -40.07 67.07 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.388 0.994 . . . . 10.0 111.755 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.49 -46.55 85.63 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.271 1.428 . . . . 10.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.93 -45.23 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.798 1.639 . . . . 10.0 112.1 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.09 94.66 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.414 1.006 . . . . 10.0 112.255 174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.33 -45.9 90.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.522 1.129 . . . . 10.0 111.849 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.79 98.14 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 10.0 111.945 174.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.16 -31.6 72.86 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.866 0.867 . . . . 10.0 113.168 173.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.8 -46.48 58.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.558 1.143 . . . . 10.0 111.923 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.21 -50.12 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.276 0.63 . . . . 10.0 109.981 171.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -47.32 -56.25 7.2 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.965 1.306 . . . . 10.0 112.426 173.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.8 -35.51 91.39 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 123.304 0.478 . . . . 10.0 113.872 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.11 -38.77 51.55 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.302 1.051 . . . . 10.0 111.845 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 36.4 mmt -68.43 -40.89 81.0 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.106 0.962 . . . . 10.0 111.011 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.28 -45.69 90.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.325 1.45 . . . . 10.0 112.924 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.2 -30.38 70.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.816 0.846 . . . . 10.0 112.679 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 73.6 m -78.58 -34.05 47.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.963 1.097 . . . . 10.0 113.963 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.91 131.6 41.62 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -77.0 -18.8 57.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.678 1.591 . . . . 10.0 113.786 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.7 p -145.97 162.98 36.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.297 1.439 . . . . 10.0 112.9 176.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -57.24 -44.52 83.91 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.796 1.239 . . . . 10.0 112.623 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.13 -44.05 95.21 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.418 1.087 . . . . 10.0 112.245 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.95 -38.14 85.59 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.63 -0.669 . . . . 10.0 112.316 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.82 -55.29 36.96 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.011 1.324 . . . . 10.0 111.918 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -50.0 -47.73 52.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.767 0.827 . . . . 10.0 112.211 169.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -65.3 -41.58 93.96 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.325 -0.859 . . . . 10.0 112.404 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.68 -38.94 92.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.609 1.164 . . . . 10.0 112.442 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.24 -48.81 78.29 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.845 0.748 . . . . 10.0 111.311 169.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.25 -28.77 69.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.43 -40.57 93.49 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.338 -0.851 . . . . 10.0 112.619 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -37.53 72.33 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.622 1.101 . . . . 10.0 111.985 174.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . . . . . . . . . 1.2 mt -54.74 -54.22 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 118.738 0.699 . . . . 10.0 109.472 169.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -53.23 -56.09 19.26 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.969 0.908 . . . . 10.0 111.664 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -52.02 -58.39 6.67 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.032 0.933 . . . . 10.0 112.731 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.222 0.464 . . . . 10.0 110.127 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -69.02 -58.15 4.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.861 -0.524 . . . . 10.0 112.335 -175.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -70.07 -23.89 63.15 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.001 0.819 . . . . 10.0 113.176 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -68.64 -55.78 10.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.582 0.753 . . . . 10.0 111.727 170.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.43 -37.29 82.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.163 0.892 . . . . 10.0 112.692 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.48 1.97 1.04 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.089 1.514 . . . . 10.0 115.089 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -124.01 -42.7 2.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.451 1.5 . . . . 10.0 111.754 170.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -65.86 -9.96 33.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.029 1.732 . . . . 10.0 114.801 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -113.38 6.85 17.42 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.774 1.629 . . . . 10.0 113.94 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -128.85 21.95 5.85 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.788 1.235 . . . . 10.0 114.207 170.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 36.3 t -142.95 123.1 13.69 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.206 1.402 . . . . 10.0 110.363 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 -75.65 -24.01 56.35 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.064 1.346 . . . . 10.0 113.575 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.783 2.033 . . . . 10.0 112.908 -174.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 119.126 -0.464 . . . . 10.0 110.634 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -147.5 5.91 0.82 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.321 1.448 . . . . 10.0 113.545 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -150.4 172.11 15.95 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.623 1.569 . . . . 10.0 112.147 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . 177.07 -19.66 0.04 OUTLIER Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.352 0.977 . . . . 10.0 115.081 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -64.92 18.83 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 128.535 2.734 . . . . 10.0 116.38 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 13.6 mm -58.74 -27.13 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 126.09 1.756 . . . . 10.0 113.73 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.93 90.42 48.59 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.183 1.793 . . . . 10.0 109.528 -169.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.25 139.42 27.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 125.178 3.919 . . . . 10.0 113.595 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 16.3 m -57.73 -33.68 68.7 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.565 1.32 . . . . 10.0 114.565 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.82 -38.26 73.24 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.53 -0.731 . . . . 10.0 112.811 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.96 -43.38 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.495 0.718 . . . . 10.0 109.378 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 53.7 ttm -50.94 -53.51 32.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.067 1.347 . . . . 10.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.42 -37.73 75.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -175.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.67 -38.43 90.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.197 0.599 . . . . 10.0 112.122 173.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.19 -49.09 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.941 0.791 . . . . 10.0 110.896 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.91 -32.4 72.79 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -71.63 -41.43 68.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.772 1.229 . . . . 10.0 113.243 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . 0.431 ' HB3' ' CZ ' ' B' ' 612' ' ' PHE . 32.7 m-80 -80.15 -42.79 22.79 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.687 1.366 . . . . 10.0 114.687 -173.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 69.8 p -72.23 -33.0 2.15 Favored Pre-proline 0 N--CA 1.476 0.828 0 N-CA-C 117.704 2.483 . . . . 10.0 117.704 -169.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -88.69 -30.52 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.931 0 CA-C-N 123.191 2.175 . . . . 10.0 114.617 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 35.4 p -161.18 39.46 0.15 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.434 1.094 . . . . 10.0 112.755 -168.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 22.3 ptp 0.31 72.2 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 129.311 3.044 . . . . 10.0 116.563 -169.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -70.4 93.41 0.87 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.423 1.889 . . . . 10.0 111.423 -173.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -58.93 147.68 33.24 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.282 1.033 . . . . 10.0 113.103 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 67.6 tp -153.8 139.45 17.9 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.552 1.541 . . . . 10.0 110.075 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -81.27 -34.89 25.01 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.917 0.77 . . . . 10.0 114.27 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.4 162.93 26.07 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.004 1.721 . . . . 10.0 113.875 -175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 63.5 m -121.83 143.68 39.04 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.822 1.649 . . . . 10.0 111.383 170.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -54.33 -36.74 87.92 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.348 2.699 . . . . 10.0 113.95 170.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -154.27 149.99 27.55 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.283 1.833 . . . . 10.0 109.962 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 63.4 p . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.802 1.641 . . . . 10.0 113.611 -179.335 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.318 -0.848 . . . . 10.0 113.285 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -38.84 -45.4 1.15 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 116.68 2.104 . . . . 10.0 116.68 -169.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.12 -49.5 73.7 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.537 -0.727 . . . . 10.0 112.136 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 294' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -66.99 -30.94 71.19 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.399 1.079 . . . . 10.0 112.559 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 295' ' ' ILE . . . . . 0.485 HD12 ' CE1' ' B' ' 658' ' ' TYR . 19.0 mm -58.93 -54.12 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.361 0.982 . . . . 10.0 109.484 172.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 296' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.59 -42.56 99.63 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.164 0.986 . . . . 10.0 112.619 175.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 297' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.12 -53.8 54.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.476 1.511 . . . . 10.0 112.561 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.51 -30.67 69.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.226 0.611 . . . . 10.0 112.254 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -64.46 -44.0 92.47 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.669 -0.644 . . . . 10.0 112.063 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 36.3 tp -67.87 -24.5 65.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.759 1.624 . . . . 10.0 113.685 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 67.4 mt -51.73 -47.82 63.87 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.16 0.891 . . . . 10.0 112.595 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.21 -46.9 86.84 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.356 1.062 . . . . 10.0 111.663 177.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 57.4 mtt -59.53 -33.2 71.09 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.564 1.145 . . . . 10.0 113.099 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 8.1 t -61.79 -24.81 67.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.099 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' THR . . . . . . . . . . . . . 29.3 m -51.5 -34.02 34.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.839 1.656 . . . . 10.0 114.636 -174.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.56 -36.01 75.35 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 307' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -74.67 -42.52 58.3 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.857 0.863 . . . . 10.0 111.735 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.19 -33.65 76.51 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.732 0.813 . . . . 10.0 112.801 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 6.5 mp -71.36 -20.73 62.12 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.449 1.099 . . . . 10.0 113.763 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.88 -37.39 20.67 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.872 0.869 . . . . 10.0 111.843 169.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 72.06 -29.64 0.66 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.363 1.935 . . . . 10.0 116.523 171.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -134.41 34.71 3.24 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.3 2.24 . . . . 10.0 110.406 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.3 124.09 12.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.455 1.902 . . . . 10.0 112.612 -178.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -150.68 23.84 0.78 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.185 1.394 . . . . 10.0 113.029 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.538 1.935 . . . . 10.0 111.374 -171.269 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 112.01 -0.436 . . . . 10.0 112.01 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 587' ' ' VAL . . . . . . . . . . . . . 65.1 t -136.57 120.17 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 125.284 1.434 . . . . 10.0 109.851 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -92.63 -21.73 19.87 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.685 1.735 . . . . 10.0 115.685 -171.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 589' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -141.25 -43.52 0.37 Allowed 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.397 1.479 . . . . 10.0 113.798 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 590' ' ' GLY . . . . . . . . . . . . . . . 86.15 8.59 78.28 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.549 1.379 . . . . 10.0 116.549 171.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 591' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -141.55 -14.91 0.84 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.626 1.713 . . . . 10.0 115.626 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -68.37 -17.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.634 0.774 . . . . 10.0 112.734 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 593' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.72 -13.29 3.85 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.935 2.094 . . . . 10.0 116.073 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 594' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -127.37 5.56 6.31 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.882 1.438 . . . . 10.0 114.882 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.66 140.74 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.114 -0.991 . . . . 10.0 109.754 170.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 596' ' ' THR . . . . . . . . . . . . . 87.4 m -135.98 146.95 47.77 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.113 1.365 . . . . 10.0 110.408 -172.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 597' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -57.17 -34.65 68.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.334 1.053 . . . . 10.0 113.723 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 598' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.7 -42.4 99.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.577 0.751 . . . . 10.0 112.237 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 599' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.88 -50.09 70.16 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.774 0.829 . . . . 10.0 110.505 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 600' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.89 -49.43 65.9 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.073 1.349 . . . . 10.0 112.806 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 62.2 m -61.49 -51.2 69.65 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.728 1.211 . . . . 10.0 112.141 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 602' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -67.19 -41.56 85.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 119.058 -0.496 . . . . 10.0 111.586 -177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.75 -43.17 98.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.275 0.943 . . . . 10.0 112.659 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 604' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.72 -49.18 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.709 1.14 . . . . 10.0 111.197 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 605' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -58.49 -41.78 86.1 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.569 0.622 . . . . 10.0 112.161 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -68.41 -34.83 76.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.136 1.374 . . . . 10.0 112.885 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' B' ' 657' ' ' ILE . 2.2 tp -60.22 -54.02 50.72 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.066 1.346 . . . . 10.0 108.789 169.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 608' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.55 -47.03 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.345 1.858 . . . . 10.0 113.022 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.87 -44.92 91.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.492 1.117 . . . . 10.0 112.601 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.24 77.05 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 611' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.3 -47.32 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.035 0.934 . . . . 10.0 111.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 612' ' ' PHE . . . . . 0.413 ' CZ ' ' HD3' ' B' ' 615' ' ' PRO . 0.5 OUTLIER -133.03 99.27 15.1 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.237 0.615 . . . . 10.0 110.501 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 613' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.06 99.04 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 124.391 3.394 . . . . 10.0 110.22 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 81.8 p -47.08 151.39 1.19 Allowed Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 128.709 2.804 . . . . 10.0 116.792 -169.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.413 ' HD3' ' CZ ' ' B' ' 612' ' ' PHE . 94.3 Cg_endo -79.34 -38.44 0.41 Allowed 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.558 2.839 . . . . 10.0 111.183 170.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 616' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -157.8 158.49 30.35 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 129.288 3.035 . . . . 10.0 108.377 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 617' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -70.48 -19.82 32.23 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.825 2.35 . . . . 10.0 112.461 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 618' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.23 66.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.89 1.276 . . . . 10.0 113.761 170.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.42 -39.37 81.62 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.33 -0.856 . . . . 10.0 112.369 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 69.7 mt -60.93 -28.33 68.86 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.451 1.501 . . . . 10.0 114.112 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 621' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -97.97 7.59 46.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.659 1.583 . . . . 10.0 113.613 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 622' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -116.87 159.12 22.86 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.159 1.383 . . . . 10.0 112.309 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 623' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -32.81 55.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.451 1.501 . . . . 10.0 112.949 -174.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 624' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -57.85 -22.96 50.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.826 2.05 . . . . 10.0 114.985 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 625' ' ' MET . . . . . . . . . . . . . 68.2 mtp -119.25 -17.08 8.96 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 117.989 -1.005 . . . . 10.0 112.571 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 626' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -54.11 -37.14 63.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.036 1.744 . . . . 10.0 112.395 169.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.51 -49.28 77.96 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.018 1.327 . . . . 10.0 111.85 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.87 -42.74 85.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.163 1.385 . . . . 10.0 112.379 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 629' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.89 -45.24 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.075 2.15 . . . . 10.0 112.173 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.58 89.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.213 1.005 . . . . 10.0 112.332 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 631' ' ' TYR . . . . . 0.494 ' CE1' ' HD2' ' C' ' 846' ' ' PRO . 0.2 OUTLIER -61.69 -42.56 99.1 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.361 1.064 . . . . 10.0 112.214 170.444 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.24 98.14 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.414 -0.804 . . . . 10.0 111.573 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.01 -45.29 93.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.2 0.909 . . . . 10.0 112.443 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.48 -46.78 87.83 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.568 1.147 . . . . 10.0 112.345 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.76 -42.07 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.402 0.681 . . . . 10.0 111.81 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -53.15 -42.53 66.2 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.334 0.97 . . . . 10.0 111.595 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.07 -29.94 76.35 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.462 1.029 . . . . 10.0 114.545 176.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 638' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.66 -40.53 28.9 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.102 1.451 . . . . 10.0 111.529 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 639' ' ' MET . . . . . . . . . . . . . 24.2 mmt -62.11 -39.7 93.4 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.564 0.746 . . . . 10.0 111.113 172.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 640' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.96 -49.06 74.01 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.541 1.936 . . . . 10.0 113.621 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 641' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -61.5 -22.38 65.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.291 1.036 . . . . 10.0 113.56 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.5 m -107.71 -20.23 13.28 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.602 1.704 . . . . 10.0 115.602 -170.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.8 133.72 36.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.483 1.038 . . . . 10.0 113.297 -174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.09 3.42 51.83 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.124 1.157 . . . . 10.0 114.124 174.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 60.2 p -152.2 158.65 43.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.885 1.274 . . . . 10.0 111.053 169.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 646' ' ' ARG . . . . . . . . . . . . . 21.1 ttp-105 -64.03 -37.89 89.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.242 0.617 . . . . 10.0 112.25 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.97 -42.86 99.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 10.0 112.203 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.14 -39.89 86.66 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.563 -0.711 . . . . 10.0 112.127 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 649' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.46 -52.81 63.87 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.176 0.99 . . . . 10.0 111.756 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 650' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -53.81 -47.85 70.46 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 170.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.54 -45.1 89.58 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.039 0.836 . . . . 10.0 111.716 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.75 -43.86 97.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.239 1.015 . . . . 10.0 112.782 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 653' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.23 -56.7 18.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.087 0.858 . . . . 10.0 111.276 170.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.99 -26.84 62.4 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 -169.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 655' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.77 -44.98 65.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.849 -1.157 . . . . 10.0 111.381 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 656' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -38.47 75.5 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.669 0.668 . . . . 10.0 110.926 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 657' ' ' ILE . . . . . 0.518 HD11 ' HG ' ' B' ' 607' ' ' LEU . 11.2 mm -63.34 -52.59 56.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.927 1.291 . . . . 10.0 111.759 173.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 658' ' ' TYR . . . . . 0.485 ' CE1' HD12 ' A' ' 295' ' ' ILE . 3.2 t80 -64.57 -36.87 85.61 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.079 1.309 . . . . 10.0 111.667 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -50.38 70.12 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.775 0.716 . . . . 10.0 112.172 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 660' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.47 -40.61 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.443 0.565 . . . . 10.0 110.713 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.14 -51.73 62.47 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 662' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -74.39 -23.87 59.04 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.1 -52.24 60.18 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.68 0.673 . . . . 10.0 110.352 169.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.53 -48.08 83.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.993 0.917 . . . . 10.0 111.772 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 665' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -57.76 -18.45 21.5 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.724 1.379 . . . . 10.0 114.724 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 666' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.32 -60.24 1.59 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.292 -0.88 . . . . 10.0 112.009 171.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 667' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -62.7 -22.28 66.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.652 0.982 . . . . 10.0 113.652 -171.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -97.93 -6.86 31.32 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.224 1.409 . . . . 10.0 113.109 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -114.27 -34.65 5.24 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.165 1.386 . . . . 10.0 113.252 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 670' ' ' SER . . . . . . . . . . . . . 29.3 m -74.13 49.74 0.36 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.458 1.903 . . . . 10.0 112.786 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -133.68 17.53 3.92 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.504 2.322 . . . . 10.0 111.4 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 672' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.776 2.031 . . . . 10.0 112.942 -179.176 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 839' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 119.451 -0.309 . . . . 10.0 111.807 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 840' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.3 -22.76 66.3 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 841' ' ' ASP . . . . . . . . . . . . . . . -146.11 172.89 12.75 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.723 2.009 . . . . 10.0 110.8 169.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 842' ' ' GLY . . . . . . . . . . . . . . . -169.03 41.49 0.22 Allowed Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.737 1.161 . . . . 10.0 113.308 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 843' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -141.67 159.46 42.18 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.856 1.663 . . . . 10.0 111.324 -172.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 844' ' ' ILE . . . . . . . . . . . . . 26.1 mm -60.91 -22.85 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.947 0.899 . . . . 10.0 112.805 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 845' ' ' LEU . . . . . . . . . . . . . 60.4 tp -125.35 88.3 54.37 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.59 1.556 . . . . 10.0 108.397 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 846' ' ' PRO . . . . . 0.494 ' HD2' ' CE1' ' B' ' 631' ' ' TYR . 13.8 Cg_exo -41.89 134.34 3.93 Favored 'Trans proline' 0 C--N 1.352 0.712 1 C-N-CA 126.655 4.903 . . . . 10.0 114.374 174.075 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 847' ' ' SER . . . . . . . . . . . . . 59.1 p -55.51 -38.21 68.9 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.441 1.645 . . . . 10.0 115.441 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 848' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -44.39 94.04 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.383 1.073 . . . . 10.0 112.641 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 849' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.08 -35.69 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.46 1.104 . . . . 10.0 111.44 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 850' ' ' MET . . . . . . . . . . . . . 57.8 ttp -53.45 -54.23 39.9 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.016 0.926 . . . . 10.0 110.512 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 851' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.52 -41.59 66.53 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.333 1.053 . . . . 10.0 112.945 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 852' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -70.13 -41.18 74.27 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 853' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.83 -42.99 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.066 -1.022 . . . . 10.0 111.257 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 854' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.44 -28.74 69.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.061 0.846 . . . . 10.0 112.633 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 855' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -74.71 -46.78 35.4 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.163 1.385 . . . . 10.0 112.436 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 856' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -80.08 -42.53 23.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.159 1.54 . . . . 10.0 115.159 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 857' ' ' THR . . . . . . . . . . . . . 82.7 p -80.1 -11.87 0.18 Allowed Pre-proline 0 N--CA 1.482 1.146 0 N-CA-C 119.043 2.979 . . . . 10.0 119.043 -170.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 858' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -78.68 10.03 3.0 Favored 'Trans proline' 0 C--N 1.359 1.098 0 CA-C-N 124.534 2.655 . . . . 10.0 114.347 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 859' ' ' SER . . . . . . . . . . . . . 11.7 t -60.6 171.13 1.2 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.365 1.066 . . . . 10.0 112.108 169.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 860' ' ' MET . . . . . . . . . . . . . 47.2 ttm -55.21 -21.84 15.43 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.854 1.262 . . . . 10.0 114.183 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 861' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -54.71 -24.25 21.22 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.086 1.143 . . . . 10.0 114.086 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 862' ' ' ALA . . . . . . . . . . . . . . . -78.02 -12.86 60.02 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 863' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.48 -8.41 0.23 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 117.917 2.562 . . . . 10.0 117.917 -169.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 864' ' ' GLY . . . . . . . . . . . . . . . -175.87 20.01 0.05 OUTLIER Glycine 0 CA--C 1.538 1.475 0 N-CA-C 117.462 1.745 . . . . 10.0 117.462 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 865' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -142.62 165.99 25.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.177 1.391 . . . . 10.0 110.675 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 866' ' ' SER . . . . . . . . . . . . . 66.2 m -134.51 155.15 79.9 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 125.722 1.609 . . . . 10.0 111.837 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 867' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.15 -5.35 16.18 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.564 2.842 . . . . 10.0 114.412 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 868' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.74 160.15 42.59 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.665 1.586 . . . . 10.0 112.152 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 869' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.254 1.328 0 C-N-CA 126.335 1.854 . . . . 10.0 114.423 -175.404 . . . . . . . . 0 0 . 1 stop_ save_