data_6qxz_residue ############################ # Computer software used # ############################ 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 6qxz _Structure_validation_residue.Date_analyzed 2019-11-29 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 ' 863' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -120.59 -178.57 3.74 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.592 1.557 . . . . 0.0 112.807 -160.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . 0.432 ' HE1' ' CG2' ' B' ' 6' ' ' THR . 71.1 m95 -102.67 173.03 6.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.503 0.668 . . . . 0.0 111.472 160.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.98 143.15 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.293 1.437 . . . . 0.0 110.415 164.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.48 144.51 25.49 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.345 1.458 . . . . 0.0 110.887 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.99 125.61 27.33 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.15 0.5 . . . . 0.0 111.045 162.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -82.32 1.49 36.74 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 168.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -103.01 -28.67 11.86 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.178 -0.951 . . . . 0.0 112.519 174.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.262 16.5 p -121.46 -110.15 0.34 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.269 1.428 . . . . 0.0 110.632 159.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.61 -6.2 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.337 2.255 . . . . 0.0 115.888 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.55 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.1 tmmm? -47.91 149.92 1.24 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.957 2.103 . . . . 0.0 112.541 171.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -112.21 153.8 26.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.023 0.929 . . . . 0.0 113.374 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.98 138.6 30.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.961 1.304 . . . . 0.0 110.759 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -77.92 128.83 34.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.562 1.145 . . . . 0.0 109.751 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.54 155.1 81.9 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 125.494 1.518 . . . . 0.0 111.998 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -67.25 149.76 81.44 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 121.416 1.411 . . . . 0.0 110.68 164.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.01 46.62 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.1 m -62.46 -25.47 68.0 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.092 -1.005 . . . . 0.0 112.688 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.8 t -86.45 -38.8 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.829 0.852 . . . . 0.0 110.631 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -20.41 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.9 0.773 . . . . 0.0 112.753 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.12 -18.32 65.17 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.897 1.236 . . . . 0.0 114.269 170.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -89.57 -41.69 11.85 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 112.082 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.543 0.675 0 C-N-CA 125.556 1.543 . . . . 0.0 109.043 175.238 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 121.603 0.716 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -82.35 131.72 35.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.149 174.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.9 pt -140.98 162.91 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.168 0.987 . . . . 0.0 112.09 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.55 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.8 m -50.18 -45.69 53.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -62.59 -26.0 68.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.755 1.161 . . . . 0.0 112.442 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -13.44 52.5 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.643 1.577 . . . . 0.0 113.49 176.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -54.58 137.95 42.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.009 1.324 . . . . 0.0 112.881 -172.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 68.7 m -55.36 -44.39 75.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.252 1.421 . . . . 0.0 113.83 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -91.02 102.66 15.43 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.536 1.134 . . . . 0.0 112.079 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -59.99 -19.31 51.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.944 1.698 . . . . 0.0 113.86 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -67.19 -24.03 65.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.725 1.61 . . . . 0.0 113.033 172.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -127.68 3.44 6.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.23 41.14 0.59 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.043 2.537 . . . . 0.0 114.94 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.55 150.96 33.07 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.103 1.361 . . . . 0.0 111.83 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.7 m -57.02 -21.52 31.6 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.674 1.59 . . . . 0.0 112.283 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 59.9 m -89.65 -17.55 28.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.381 1.472 . . . . 0.0 113.481 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.0 170.75 16.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.747 0.819 . . . . 0.0 113.098 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -83.31 -163.12 0.7 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.31 1.444 . . . . 0.0 112.457 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -149.25 166.26 29.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.256 1.823 . . . . 0.0 112.459 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -67.21 -30.14 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -153.94 130.65 10.78 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.744 1.618 . . . . 0.0 110.163 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -63.69 155.75 29.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.509 0.723 . . . . 0.0 111.318 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -59.33 -34.0 71.82 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -163.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -80.41 -11.6 59.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.439 1.496 . . . . 0.0 114.265 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -93.02 -44.57 8.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.588 1.555 . . . . 0.0 111.113 172.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.5 tp -65.4 -53.53 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.441 0.564 . . . . 0.0 111.742 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -56.03 -29.74 60.87 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 120.359 -1.463 . . . . 0.0 113.41 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -70.5 -35.3 73.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.264 1.826 . . . . 0.0 114.321 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.87 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.484 1.113 . . . . 0.0 112.361 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.93 -34.78 51.12 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.815 0.846 . . . . 0.0 112.097 171.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.07 5.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.639 1.59 . . . . 0.0 113.168 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.1 pt . . . . . 0 N--CA 1.477 0.916 0 C-N-CA 125.565 1.546 . . . . 0.0 113.488 -166.489 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 . . . . . 0 CA--C 1.535 0.403 0 CA-C-O 122.392 1.092 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.432 ' CG2' ' HE1' ' A' ' 865' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 C-N-CA 126.965 2.106 . . . . 0.0 114.415 -170.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 CA--C 1.534 0.362 0 CA-C-O 120.888 0.375 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -147.17 178.91 8.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.556 1.142 . . . . 0.0 111.053 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -97.08 175.38 6.33 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.9 -1.125 . . . . 0.0 114.014 170.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.3 p -151.45 143.19 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 127.068 2.147 . . . . 0.0 110.03 168.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -93.13 137.26 32.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.24 1.016 . . . . 0.0 111.526 171.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 123.35 19.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.963 0.905 . . . . 0.0 111.643 170.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.65 -16.42 60.93 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.076 1.351 . . . . 0.0 114.116 171.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -101.55 -15.77 16.99 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.719 1.145 . . . . 0.0 113.518 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . 0.404 ' HB2' ' H ' ' A' ' 872' ' ' PHE . 73.5 m -120.32 -106.39 0.37 Allowed 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.941 1.696 . . . . 0.0 111.535 176.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . 0.404 ' H ' ' HB2' ' A' ' 871' ' ' CYS . 52.3 p90 169.46 -18.88 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.983 1 C-N-CA 133.322 4.649 . . . . 0.0 108.967 -167.648 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.457 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -37.71 137.05 0.49 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.707 2.803 . . . . 0.0 111.825 167.501 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -103.11 155.27 18.52 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.461 1.104 . . . . 0.0 111.398 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -146.28 133.94 21.06 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.152 0.981 . . . . 0.0 110.88 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -84.95 108.78 17.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.393 1.477 . . . . 0.0 109.186 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 45.0 pt -110.94 156.04 41.45 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 128.287 2.635 . . . . 0.0 110.943 -174.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.97 147.58 80.44 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 121.186 1.257 . . . . 0.0 110.939 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.35 -21.78 16.68 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.2 m -62.61 -24.99 67.86 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.203 -0.936 . . . . 0.0 112.606 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.29 -38.37 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.172 0.989 . . . . 0.0 110.864 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -23.35 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.02 0.827 . . . . 0.0 112.586 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -80.35 -19.85 68.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.599 1.095 . . . . 0.0 114.292 172.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.8 t -88.33 -41.48 12.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 125.401 1.48 . . . . 0.0 110.496 179.781 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 121.87 0.843 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -72.28 130.53 41.0 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.935 0.894 . . . . 0.0 110.024 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.8 pt -140.35 163.71 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.846 0.858 . . . . 0.0 112.762 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.457 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 17.9 m -48.53 -44.01 35.91 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.022 0.929 . . . . 0.0 113.176 175.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.72 -24.59 67.75 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.941 1.246 . . . . 0.0 113.098 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -11.22 46.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.569 1.548 . . . . 0.0 113.506 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -53.55 137.18 37.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.168 1.387 . . . . 0.0 113.031 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.6 m -55.59 -44.86 77.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.082 1.353 . . . . 0.0 113.834 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.95 102.26 14.96 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.877 1.271 . . . . 0.0 112.086 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -60.74 -17.47 48.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.069 1.748 . . . . 0.0 114.006 -174.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.21 -23.25 66.4 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.555 1.542 . . . . 0.0 113.649 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -131.09 7.08 4.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 114.746 -173.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -86.56 42.01 0.98 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.109 2.163 . . . . 0.0 114.193 -167.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.13 146.21 36.74 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.942 1.297 . . . . 0.0 110.701 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.42 -16.55 37.01 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.299 1.04 . . . . 0.0 112.349 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.6 m -92.24 -16.72 25.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.441 1.497 . . . . 0.0 113.75 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 4.8 mmpt? -78.7 171.44 15.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 122.787 1.279 . . . . 0.0 113.862 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 98.2 p -78.88 -165.26 0.71 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 128.508 2.723 . . . . 0.0 112.571 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -147.16 173.46 12.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.802 1.641 . . . . 0.0 112.23 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -29.28 70.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.591 1.156 . . . . 0.0 113.228 -174.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 59.0 mtt -158.98 136.31 9.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.149 2.179 . . . . 0.0 110.091 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.4 m -62.2 154.75 26.47 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.109 1.322 . . . . 0.0 111.158 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -56.77 -35.69 68.96 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.627 -0.67 . . . . 0.0 112.652 -169.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.23 -11.27 59.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.278 1.431 . . . . 0.0 114.074 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -99.55 -37.97 8.95 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.711 1.605 . . . . 0.0 112.321 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -56.23 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 119.154 0.888 . . . . 0.0 111.416 173.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -51.4 -32.14 25.18 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 119.88 1.218 . . . . 0.0 113.671 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.29 -37.95 78.97 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.195 2.198 . . . . 0.0 114.355 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.37 -40.71 98.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.259 1.424 . . . . 0.0 112.72 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.6 mp -85.96 -24.43 26.52 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.543 0.737 . . . . 0.0 111.984 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.52 40.57 4.42 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.361 1.457 . . . . 0.0 113.184 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 126.34 1.856 . . . . 0.0 111.972 -172.19 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.477 0.914 0 C-N-CA 124.426 1.091 . . . . 0.0 112.88 -179.569 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 121.578 0.704 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -128.49 -174.13 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.909 1.284 . . . . 0.0 111.45 -152.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -104.94 172.58 6.71 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 169.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.8 p -147.55 144.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.503 1.921 . . . . 0.0 110.263 168.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -87.03 139.3 30.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.036 0.934 . . . . 0.0 110.816 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.46 126.01 29.22 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.344 0.657 . . . . 0.0 111.439 170.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -64.22 -29.62 70.71 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -85.23 -51.44 6.61 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.887 0.875 . . . . 0.0 111.185 -170.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.297 17.0 p -92.26 -104.09 0.11 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.328 0.651 . . . . 0.0 110.578 165.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -177.12 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.563 2.745 . . . . 0.0 114.243 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -45.73 150.53 0.51 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.135 2.174 . . . . 0.0 113.651 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -95.1 148.58 22.21 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.277 0.631 . . . . 0.0 111.972 168.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -139.79 135.16 32.76 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 111.104 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -76.72 131.79 38.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.7 pt -136.17 157.91 74.71 Favored Pre-proline 0 N--CA 1.473 0.684 0 C-N-CA 127.01 2.124 . . . . 0.0 111.62 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -66.69 148.8 83.57 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 121.452 1.435 . . . . 0.0 111.164 165.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.17 -20.85 57.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.43 -25.2 68.17 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.266 -0.896 . . . . 0.0 112.689 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.99 -37.3 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.703 0.801 . . . . 0.0 110.479 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -17.99 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.134 0.879 . . . . 0.0 113.125 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.99 -19.69 62.54 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.552 1.072 . . . . 0.0 114.101 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -87.96 -45.55 10.13 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.006 1.323 . . . . 0.0 112.219 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.473 0.693 0 C-N-CA 125.428 1.491 . . . . 0.0 108.61 178.673 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -143.8 134.72 25.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.748 2.019 . . . . 0.0 112.699 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 23.5 pt -141.09 162.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.598 1.159 . . . . 0.0 112.515 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 65.4 m -49.09 -43.76 41.51 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.003 0.921 . . . . 0.0 113.479 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.9 tpp -62.13 -25.25 67.63 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.349 1.431 . . . . 0.0 112.827 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -11.28 50.01 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.769 1.628 . . . . 0.0 113.747 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -52.69 135.44 35.05 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.487 1.515 . . . . 0.0 112.982 -173.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 50.9 m -52.79 -43.4 65.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.11 1.764 . . . . 0.0 114.091 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.93 105.56 17.91 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.112 0.965 . . . . 0.0 112.35 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -59.94 -16.11 27.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.298 1.839 . . . . 0.0 113.382 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.45 67.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.643 1.977 . . . . 0.0 112.542 171.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -139.78 21.17 2.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.39 1.476 . . . . 0.0 113.496 -173.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.56 41.01 1.04 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.886 1.674 . . . . 0.0 114.261 -172.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -147.13 146.75 30.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.791 1.636 . . . . 0.0 110.607 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 70.8 m -56.67 -26.02 55.35 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 121.574 -0.704 . . . . 0.0 111.62 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.6 m -83.66 -19.39 35.46 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.948 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -72.92 176.3 5.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.377 1.071 . . . . 0.0 113.303 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 10.0 t -80.52 -162.09 0.43 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.726 1.21 . . . . 0.0 112.023 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -150.57 163.74 37.72 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.438 1.895 . . . . 0.0 111.241 173.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.29 -31.16 72.24 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.8 mtt -154.3 131.68 11.23 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.757 1.623 . . . . 0.0 110.377 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.17 159.21 15.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 0.0 111.178 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.08 -29.53 70.66 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.037 -1.04 . . . . 0.0 112.289 -169.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -74.92 -7.36 53.33 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.379 1.472 . . . . 0.0 114.382 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -105.32 -43.63 4.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 111.025 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.38 7.7 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 120.01 -1.681 . . . . 0.0 112.918 156.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.98 -34.14 77.42 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.192 1.397 . . . . 0.0 113.867 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -63.23 -33.0 74.55 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.44 -27.68 15.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.049 0.94 . . . . 0.0 112.285 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 92.94 31.92 8.27 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.107 1.337 . . . . 0.0 113.107 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 48.8 pt . . . . . 0 N--CA 1.471 0.596 0 C-N-CA 126.369 1.867 . . . . 0.0 112.062 -175.153 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 125.24 1.416 . . . . 0.0 112.588 -179.637 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 82.2 p . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 122.543 1.163 . . . . 0.0 113.805 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.44 -175.93 3.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.198 1.399 . . . . 0.0 111.128 -165.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -105.61 176.67 5.09 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.49 -0.756 . . . . 0.0 112.599 171.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.86 140.04 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 110.746 165.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 16.8 ttt85 -93.02 140.17 29.76 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.895 1.278 . . . . 0.0 110.231 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.8 t -68.42 128.37 36.35 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.908 0.883 . . . . 0.0 112.981 172.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.1 -13.91 62.42 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 169.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -99.54 -27.2 13.82 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.59 1.086 . . . . 0.0 112.793 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 16.6 p -123.74 -103.2 0.38 Allowed 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 124.819 1.248 . . . . 0.0 111.867 165.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -175.08 -11.13 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.195 2.598 . . . . 0.0 114.509 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.51 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 1.8 tmmm? -48.1 146.94 2.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.854 2.062 . . . . 0.0 112.85 175.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . 0.466 ' CZ3' ' HB2' ' A' ' 867' ' ' ARG . 89.5 m95 -102.59 151.14 22.68 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.057 0.943 . . . . 0.0 113.232 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.58 135.38 28.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.997 1.319 . . . . 0.0 110.58 174.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -76.52 127.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.833 1.253 . . . . 0.0 109.639 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 36.6 pt -131.04 153.96 81.9 Favored Pre-proline 0 N--CA 1.471 0.622 0 C-N-CA 125.971 1.708 . . . . 0.0 111.667 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -67.88 150.81 78.59 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.231 1.287 . . . . 0.0 110.533 165.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.89 -22.78 27.52 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -60.58 -28.8 68.76 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.742 1.217 . . . . 0.0 112.563 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 89.3 t -86.63 -38.46 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -19.47 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.115 0.871 . . . . 0.0 112.887 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.12 -23.26 38.48 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 125.13 1.348 . . . . 0.0 114.436 169.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.7 t -80.74 -37.87 29.73 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.786 1.235 . . . . 0.0 112.174 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 125.733 1.613 . . . . 0.0 107.486 169.601 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.973 0.416 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -77.51 132.39 38.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.426 0.691 . . . . 0.0 109.672 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.7 pt -139.68 162.1 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.844 0.857 . . . . 0.0 112.852 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.51 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.5 m -49.88 -41.88 46.51 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.489 1.116 . . . . 0.0 113.964 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.01 -31.52 70.01 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.918 1.236 . . . . 0.0 112.214 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -11.37 57.12 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.922 1.689 . . . . 0.0 113.382 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -53.31 138.0 33.58 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.201 1.4 . . . . 0.0 113.011 -172.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -53.13 -43.65 67.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.263 1.425 . . . . 0.0 114.172 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.37 103.99 15.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.983 1.313 . . . . 0.0 111.692 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.74 -20.94 59.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.653 1.581 . . . . 0.0 113.611 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -67.2 -23.76 65.78 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.882 1.673 . . . . 0.0 114.018 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -124.85 5.29 8.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.321 1.448 . . . . 0.0 114.359 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.95 41.37 0.74 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.785 2.434 . . . . 0.0 114.706 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.11 152.89 36.93 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.217 1.007 . . . . 0.0 111.895 164.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 65.3 m -56.41 -19.02 13.0 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.284 1.833 . . . . 0.0 112.274 171.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.9 m -89.32 -20.45 24.03 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.716 1.606 . . . . 0.0 112.383 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -80.93 173.5 12.55 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.392 1.091 . . . . 0.0 113.426 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 90.5 p -82.48 -166.67 1.34 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.582 2.353 . . . . 0.0 113.339 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -149.01 166.18 29.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.827 2.051 . . . . 0.0 110.932 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.37 -33.62 76.28 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 25.0 mmt -150.37 131.94 14.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.92 1.688 . . . . 0.0 111.169 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.2 m -62.2 160.93 12.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.106 0.963 . . . . 0.0 111.381 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -22.89 63.21 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.76 -1.212 . . . . 0.0 112.37 -167.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.45 -19.19 62.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.079 1.351 . . . . 0.0 113.483 168.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -97.41 -45.06 6.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.254 1.421 . . . . 0.0 111.72 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.287 1.4 tp -79.2 15.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.699 1.741 . . . . 0.0 115.699 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.9 p30 -106.43 -34.99 7.24 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.513 -1.367 . . . . 0.0 112.916 154.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -68.24 -32.59 72.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.455 . . . . 0.0 113.956 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -61.12 -30.26 70.27 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.945 0.898 . . . . 0.0 112.506 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.55 -33.72 10.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.358 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.74 40.38 4.41 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.137 1.351 . . . . 0.0 112.862 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 45.2 pt . . . . . 0 N--CA 1.474 0.763 0 C-N-CA 126.264 1.826 . . . . 0.0 112.265 -174.323 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.619 0.723 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.451 1.5 . . . . 0.0 114.472 -170.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -142.84 176.95 8.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.992 0.917 . . . . 0.0 112.671 -159.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -88.2 170.41 11.05 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.766 -1.209 . . . . 0.0 113.713 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.22 142.64 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 109.39 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -89.66 142.2 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.227 1.411 . . . . 0.0 111.534 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 53.3 t -67.1 122.78 18.56 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.254 0.622 . . . . 0.0 111.512 165.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.52 -11.88 61.09 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -97.74 -28.21 13.99 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.426 1.012 . . . . 0.0 113.023 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.296 12.1 p -127.53 -96.76 0.41 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.645 1.178 . . . . 0.0 112.129 170.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -165.84 -17.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.141 2.176 . . . . 0.0 114.133 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.13 134.32 0.82 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.047 2.139 . . . . 0.0 113.383 -175.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -102.74 147.69 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.677 0.791 . . . . 0.0 111.247 -176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -144.67 137.2 26.45 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.44 1.496 . . . . 0.0 110.335 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.69 119.36 25.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.4 1.08 . . . . 0.0 109.592 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.1 pt -121.34 158.15 54.12 Favored Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 127.692 2.397 . . . . 0.0 110.554 -173.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.22 147.66 73.03 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 120.863 1.042 . . . . 0.0 111.819 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -48.94 -30.99 6.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.988 1.715 . . . . 0.0 114.644 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.6 m -58.23 -27.59 64.08 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.07 1.348 . . . . 0.0 112.844 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 6.2 t -97.73 -30.72 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.308 -0.854 . . . . 0.0 111.933 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -26.22 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 120.19 1.359 . . . . 0.0 112.594 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.59 -15.91 69.78 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 124.49 1.043 . . . . 0.0 114.979 170.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 31.1 t -90.0 -38.22 13.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.491 1.516 . . . . 0.0 112.303 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.468 0.436 0 C-N-CA 125.381 1.472 . . . . 0.0 110.055 166.324 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -88.36 128.8 35.51 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.9 163.48 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.974 0.91 . . . . 0.0 111.934 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 60.0 m -49.26 -45.24 44.53 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -20.6 66.57 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.774 1.17 . . . . 0.0 112.954 -175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -12.37 42.74 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.016 1.726 . . . . 0.0 113.28 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.92 133.27 43.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.845 1.258 . . . . 0.0 112.485 -173.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 5.7 m -58.1 -38.75 77.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 113.279 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -87.83 96.16 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.297 1.046 . . . . 0.0 110.987 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.51 -16.61 38.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.393 1.877 . . . . 0.0 113.865 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -67.98 -23.7 65.06 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.393 1.877 . . . . 0.0 113.407 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.84 14.7 4.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.339 1.456 . . . . 0.0 113.14 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.47 38.44 0.9 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.489 1.916 . . . . 0.0 114.251 -167.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.34 147.6 33.67 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.42 1.488 . . . . 0.0 110.415 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.5 -18.28 27.81 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 124.46 1.104 . . . . 0.0 112.349 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 23.8 m -88.75 -22.03 23.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.934 1.694 . . . . 0.0 112.971 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -77.65 173.15 12.36 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.618 1.199 . . . . 0.0 113.421 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 95.6 p -83.25 -169.5 2.57 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.227 2.611 . . . . 0.0 112.813 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -147.44 170.09 18.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.422 1.889 . . . . 0.0 111.191 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -33.84 64.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.416 1.086 . . . . 0.0 113.668 -176.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.6 mtt -152.6 135.86 15.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.246 1.419 . . . . 0.0 111.174 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.7 m -61.31 155.12 22.02 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.256 0.934 . . . . 0.0 110.677 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.82 -36.75 72.68 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.857 0.463 . . . . 0.0 112.126 -161.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.34 -12.6 59.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.876 1.671 . . . . 0.0 114.485 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -90.73 -39.76 12.24 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.477 1.111 . . . . 0.0 111.888 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.254 1.9 tp -69.19 -55.14 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.19 0.904 . . . . 0.0 111.779 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -55.6 -28.13 53.37 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.036 -1.665 . . . . 0.0 114.041 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -63.6 -34.27 77.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.065 1.746 . . . . 0.0 114.422 169.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.98 -37.33 85.68 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.306 1.443 . . . . 0.0 112.286 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.14 -28.55 54.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.508 1.123 . . . . 0.0 112.77 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.14 35.31 7.65 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.913 1.72 . . . . 0.0 114.555 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 N--CA 1.479 1.014 0 C-N-CA 127.288 2.235 . . . . 0.0 111.295 -169.511 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 N--CA 1.488 1.431 0 C-N-CA 128.778 2.831 . . . . 0.0 117.253 -178.077 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 121.714 0.769 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -140.92 -175.55 4.35 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.316 0.646 . . . . 0.0 112.002 -162.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -97.72 174.7 6.48 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.94 148.66 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.958 2.103 . . . . 0.0 109.671 168.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 22.8 ttt85 -105.26 127.51 52.98 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.252 1.421 . . . . 0.0 110.363 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -62.32 128.15 34.69 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.947 0.899 . . . . 0.0 112.496 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.91 -18.97 62.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -92.67 -20.28 20.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.74 1.216 . . . . 0.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . 0.405 ' HB2' ' H ' ' A' ' 872' ' ' PHE . 64.3 m -119.31 -105.64 0.39 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.961 1.705 . . . . 0.0 110.879 174.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . 0.405 ' H ' ' HB2' ' A' ' 871' ' ' CYS . 54.1 p90 168.03 -15.58 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 1 C-N-CA 133.665 4.786 . . . . 0.0 109.024 -171.769 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.441 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -34.62 136.03 0.16 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.889 2.876 . . . . 0.0 112.134 167.683 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . 0.44 ' CZ3' ' HB2' ' A' ' 867' ' ' ARG . 89.1 m95 -95.75 148.2 22.82 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.709 0.803 . . . . 0.0 111.692 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -146.41 129.05 16.12 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.796 0.838 . . . . 0.0 112.352 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 120.62 18.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.219 2.207 . . . . 0.0 109.335 168.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.6 157.87 76.34 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.355 2.262 . . . . 0.0 111.311 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -72.12 146.79 47.13 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 121.789 1.659 . . . . 0.0 112.341 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.41 -21.78 27.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 72.0 p -58.61 -24.91 62.0 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.183 -0.948 . . . . 0.0 112.799 170.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.4 t -96.92 -35.31 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.487 1.515 . . . . 0.0 111.769 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 2.3 m -61.66 -29.08 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.203 -0.935 . . . . 0.0 112.478 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -79.99 -15.34 79.18 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.217 1.389 . . . . 0.0 114.537 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 17.9 t -94.54 -34.83 12.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.375 1.47 . . . . 0.0 112.708 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 110.568 -179.224 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 121.88 0.847 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -74.91 130.55 39.6 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 110.392 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.0 pt -139.25 162.78 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.509 0.724 . . . . 0.0 112.776 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.441 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 18.5 m -49.13 -44.36 42.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.77 0.828 . . . . 0.0 112.829 174.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 67.6 mtm -66.57 -11.44 53.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.914 1.233 . . . . 0.0 114.115 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -9.37 23.31 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.022 1.729 . . . . 0.0 113.37 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.78 136.49 33.59 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.944 1.698 . . . . 0.0 113.204 -173.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 21.6 m -54.76 -44.97 74.11 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.21 1.404 . . . . 0.0 113.941 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -92.13 104.94 17.27 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.257 1.027 . . . . 0.0 112.289 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.13 -14.67 39.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.921 2.088 . . . . 0.0 114.082 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -63.98 -27.12 68.91 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.233 1.413 . . . . 0.0 112.624 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -135.88 18.93 3.25 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.465 1.106 . . . . 0.0 113.464 -171.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -93.81 42.96 1.1 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.494 1.917 . . . . 0.0 114.775 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -144.09 149.27 36.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.69 1.196 . . . . 0.0 110.121 164.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.69 -10.68 9.13 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.204 1.001 . . . . 0.0 112.549 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 41.1 m -91.97 -21.21 20.66 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.374 1.47 . . . . 0.0 113.154 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -77.25 171.7 14.43 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.254 1.022 . . . . 0.0 113.319 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 11.6 t -94.79 -154.11 0.41 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.039 1.735 . . . . 0.0 111.324 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.99 164.22 35.23 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.123 2.169 . . . . 0.0 111.076 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -66.4 -25.47 66.78 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -147.41 131.48 17.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.698 1.199 . . . . 0.0 110.695 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.2 m -62.79 160.12 15.1 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.975 0.807 . . . . 0.0 111.36 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -56.56 -36.17 68.98 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.325 -0.859 . . . . 0.0 112.565 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -80.1 1.11 29.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.315 1.846 . . . . 0.0 114.595 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -112.92 -38.75 4.43 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.002 2.121 . . . . 0.0 111.629 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.6 tp -67.86 -53.91 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.721 0.691 . . . . 0.0 111.151 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -52.45 -29.45 24.64 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 120.59 -1.319 . . . . 0.0 114.009 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -64.64 -32.65 74.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.287 2.235 . . . . 0.0 114.504 171.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -64.91 -42.34 94.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.981 1.313 . . . . 0.0 111.826 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.8 mp -82.78 -32.33 27.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.686 0.795 . . . . 0.0 112.111 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.47 44.95 4.48 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.383 1.468 . . . . 0.0 112.843 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 N--CA 1.474 0.775 0 C-N-CA 125.974 1.71 . . . . 0.0 112.814 -171.03 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 121.133 0.492 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 124.304 1.042 . . . . 0.0 111.641 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -137.74 173.62 11.45 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.667 1.187 . . . . 0.0 110.675 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -88.49 175.5 7.56 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.672 -1.267 . . . . 0.0 112.821 169.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -149.39 144.65 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.669 1.987 . . . . 0.0 110.539 165.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.61 142.78 28.85 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.731 1.212 . . . . 0.0 111.726 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.5 122.33 21.12 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.967 0.413 . . . . 0.0 110.021 158.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.51 -21.98 64.55 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -84.36 -44.42 13.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.899 0.88 . . . . 0.0 110.539 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 65.8 m -86.8 -112.26 0.05 Allowed 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 125.345 1.458 . . . . 0.0 110.796 169.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 15.3 p90 172.9 -12.19 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.035 1 C-N-CA 132.488 4.315 . . . . 0.0 110.485 -174.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.439 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 10.7 ttpt -40.57 150.77 0.06 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.301 2.641 . . . . 0.0 113.582 165.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -110.99 152.93 26.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 112.695 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -141.07 138.05 33.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.77 1.628 . . . . 0.0 110.44 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -79.24 128.66 33.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.81 1.244 . . . . 0.0 110.26 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 40.0 pt -134.35 160.26 69.16 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.729 2.011 . . . . 0.0 112.05 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -69.51 149.43 68.45 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 121.617 1.545 . . . . 0.0 111.824 165.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -52.45 -27.23 15.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.211 1.404 . . . . 0.0 114.517 173.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.7 m -60.27 -27.33 67.17 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.933 1.293 . . . . 0.0 112.477 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.26 -38.51 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.478 1.111 . . . . 0.0 110.904 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -22.03 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.109 0.868 . . . . 0.0 112.833 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.29 -19.36 64.72 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.822 1.201 . . . . 0.0 114.25 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.3 t -88.24 -42.56 12.19 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.994 1.317 . . . . 0.0 112.14 175.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 125.442 1.497 . . . . 0.0 110.941 178.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -84.72 132.48 34.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.274 0.629 . . . . 0.0 110.222 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -143.78 166.62 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.78 0.832 . . . . 0.0 112.479 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.439 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 34.4 m -48.32 -42.46 31.27 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.246 -0.909 . . . . 0.0 113.377 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.29 -24.13 66.19 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.646 1.112 . . . . 0.0 113.227 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 4.11 45.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -57.76 142.8 44.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.406 1.482 . . . . 0.0 112.73 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 70.8 m -57.85 -45.67 85.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.513 1.525 . . . . 0.0 113.94 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.42 106.41 18.48 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.818 1.247 . . . . 0.0 111.846 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.91 -23.06 60.81 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.404 1.482 . . . . 0.0 113.419 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -65.79 -22.19 66.55 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.99 1.716 . . . . 0.0 114.184 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -129.63 10.85 5.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.686 1.595 . . . . 0.0 114.026 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.22 41.37 1.03 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.361 1.864 . . . . 0.0 114.346 -170.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -142.7 146.78 34.72 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.056 1.342 . . . . 0.0 110.975 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.33 -21.51 59.88 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.55 0.74 . . . . 0.0 111.961 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.1 m -86.38 -18.37 32.0 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.475 1.51 . . . . 0.0 113.929 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . 0.404 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 5.0 mmpt? -76.67 174.7 10.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.683 1.193 . . . . 0.0 113.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.0 t -90.93 -158.76 0.57 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.214 1.406 . . . . 0.0 112.356 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -150.99 168.52 24.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.889 2.476 . . . . 0.0 110.365 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.9 -36.88 85.79 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.036 -1.04 . . . . 0.0 112.718 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 23.6 mmt -150.03 129.84 13.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.792 1.637 . . . . 0.0 110.421 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.7 p -60.9 160.46 9.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.214 1.006 . . . . 0.0 112.628 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -61.59 -23.42 66.0 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -165.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -87.19 -5.43 58.98 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.661 1.985 . . . . 0.0 114.126 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -113.23 -33.0 6.11 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.59 1.956 . . . . 0.0 113.149 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.03 -57.09 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.653 1.115 . . . . 0.0 110.711 168.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -52.85 -29.2 26.64 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -66.09 -32.98 74.77 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.307 1.843 . . . . 0.0 114.44 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.75 -34.28 77.81 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.26 1.024 . . . . 0.0 112.274 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.1 mp -86.48 -37.86 17.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.761 0.824 . . . . 0.0 112.321 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.58 44.27 4.96 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.682 1.611 . . . . 0.0 112.878 -175.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 40.5 pt . . . . . 0 N--CA 1.476 0.846 0 C-N-CA 125.454 1.501 . . . . 0.0 113.549 -169.76 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 121.114 0.483 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 124.744 1.218 . . . . 0.0 112.1 175.706 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.47 0.557 0 CA-C-O 121.04 0.448 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -134.93 -177.09 4.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.6 0.76 . . . . 0.0 111.225 -158.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -91.71 173.06 8.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.998 -1.064 . . . . 0.0 113.258 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.16 144.45 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.31 1.844 . . . . 0.0 109.23 166.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 5.0 ttp-105 -86.61 147.08 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 172.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.98 119.01 14.48 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.488 0.661 . . . . 0.0 110.447 159.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -68.53 -4.59 15.69 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.606 1.562 . . . . 0.0 114.93 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -106.97 -29.68 9.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.941 0.897 . . . . 0.0 112.634 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.81 -114.54 0.18 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 126.051 1.74 . . . . 0.0 110.3 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -179.74 -12.37 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.116 1 C-N-CA 131.973 4.109 . . . . 0.0 110.557 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.405 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 8.9 ttpt -39.15 147.64 0.06 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.197 2.199 . . . . 0.0 113.687 166.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -111.07 150.4 29.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.261 1.024 . . . . 0.0 112.485 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -143.68 136.1 27.01 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.736 1.614 . . . . 0.0 110.098 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -76.43 131.47 39.1 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.839 0.856 . . . . 0.0 109.751 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 31.1 pt -135.85 157.84 75.21 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 126.435 1.894 . . . . 0.0 111.151 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.53 146.01 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.637 1.558 . . . . 0.0 112.266 171.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.35 -19.96 16.97 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.307 1.443 . . . . 0.0 114.495 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -58.93 -27.22 65.09 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.903 -1.123 . . . . 0.0 112.707 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.09 -32.7 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.464 1.506 . . . . 0.0 111.998 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.65 -29.73 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.182 -0.949 . . . . 0.0 112.356 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.92 -15.77 74.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.217 1.389 . . . . 0.0 114.429 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 26.9 t -90.56 -33.33 15.94 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.43 1.492 . . . . 0.0 112.757 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.151 0.977 . . . . 0.0 110.759 -177.825 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 122.069 0.938 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -71.02 126.77 30.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 170.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.7 pt -141.33 164.45 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.673 0.789 . . . . 0.0 112.489 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.405 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 20.5 m -46.55 -44.83 18.25 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.972 0.909 . . . . 0.0 113.159 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -57.24 -32.01 66.12 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.893 1.224 . . . . 0.0 113.036 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -10.88 52.87 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.572 1.549 . . . . 0.0 113.69 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -53.11 139.51 28.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.474 1.51 . . . . 0.0 113.483 -172.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 75.5 m -52.6 -46.22 66.89 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.618 1.567 . . . . 0.0 114.38 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.21 105.61 17.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.776 1.23 . . . . 0.0 111.774 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.31 -23.35 56.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.67 1.588 . . . . 0.0 113.574 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.92 -23.8 66.7 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.718 1.607 . . . . 0.0 113.899 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -125.76 8.81 7.57 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.628 1.571 . . . . 0.0 113.978 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.07 45.03 1.25 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.249 1.819 . . . . 0.0 114.561 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.65 151.31 37.04 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.848 0.832 . . . . 0.0 111.772 162.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.0 -11.4 5.69 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.924 1.29 . . . . 0.0 112.446 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 39.9 m -93.53 -18.24 22.47 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.196 1.398 . . . . 0.0 113.104 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -78.02 179.29 6.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.379 1.072 . . . . 0.0 113.78 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -95.27 -157.51 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.578 1.551 . . . . 0.0 112.587 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -145.87 166.74 25.07 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.819 2.448 . . . . 0.0 110.973 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.57 -31.41 72.1 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.842 -1.161 . . . . 0.0 113.322 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.7 mtt -153.53 130.02 10.65 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.864 1.666 . . . . 0.0 110.023 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.5 m -63.19 161.55 13.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.162 0.585 . . . . 0.0 111.012 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -62.39 -30.32 71.12 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.781 -1.199 . . . . 0.0 112.649 -174.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -71.49 -10.17 59.35 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.561 1.544 . . . . 0.0 113.73 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -102.59 -48.94 3.98 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.365 172.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.79 11.14 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 123.565 1.65 . . . . 0.0 115.1 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -101.43 -37.3 8.5 Favored 'General case' 0 C--N 1.311 -1.065 0 O-C-N 120.226 -1.546 . . . . 0.0 112.068 158.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.36 -31.33 70.65 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.622 1.569 . . . . 0.0 113.73 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -62.68 -29.78 70.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.537 0.608 . . . . 0.0 112.575 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.3 mp -98.85 -30.12 12.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.387 1.075 . . . . 0.0 112.73 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 96.68 37.6 4.69 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.123 1.344 . . . . 0.0 113.286 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.8 pt . . . . . 0 N--CA 1.475 0.776 0 C-N-CA 126.635 1.974 . . . . 0.0 111.704 -176.442 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 122.152 0.977 . . . . 0.0 113.603 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 124.772 1.229 . . . . 0.0 112.143 179.645 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -142.15 -176.47 4.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.681 -153.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -95.16 177.16 5.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.312 -0.868 . . . . 0.0 111.801 169.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -146.44 140.98 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.959 1.704 . . . . 0.0 110.14 165.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -89.7 145.64 25.07 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.462 1.105 . . . . 0.0 110.077 171.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.8 125.81 26.51 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.379 0.609 . . . . 0.0 110.916 162.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -75.99 -2.6 31.34 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.859 1.663 . . . . 0.0 113.802 170.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -112.38 -29.73 7.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.145 0.978 . . . . 0.0 112.407 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 14.0 p -118.2 -112.55 0.34 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.868 1.267 . . . . 0.0 111.366 160.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -170.43 -4.06 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.297 2.239 . . . . 0.0 115.839 -169.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.54 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.4 tmmm? -53.17 149.29 7.15 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.848 1.659 . . . . 0.0 111.843 170.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -111.52 151.4 28.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.18 0.992 . . . . 0.0 112.786 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -143.78 137.02 27.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.638 1.575 . . . . 0.0 110.075 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 129.85 34.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.188 0.995 . . . . 0.0 110.532 172.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -135.65 154.85 78.43 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 126.689 1.995 . . . . 0.0 111.719 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.05 148.55 45.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.297 1.998 . . . . 0.0 112.746 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -50.95 -25.66 4.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.408 1.483 . . . . 0.0 114.955 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.2 m -56.61 -27.11 57.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.758 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.96 -34.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.083 1.353 . . . . 0.0 112.138 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 2.1 m -60.28 -29.09 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.207 -0.933 . . . . 0.0 112.612 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -76.07 -19.31 78.74 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.373 1.463 . . . . 0.0 114.671 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.2 t -90.01 -39.76 12.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.834 1.253 . . . . 0.0 111.975 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.479 1.511 . . . . 0.0 110.661 178.726 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.421 0.629 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -74.06 129.04 37.08 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.319 0.648 . . . . 0.0 109.725 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.32 162.37 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.312 0.645 . . . . 0.0 112.341 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.54 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 63.5 m -49.27 -43.75 43.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.72 174.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 43.0 tpp -65.9 -20.74 66.33 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.915 1.234 . . . . 0.0 113.077 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -12.71 43.62 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.724 1.61 . . . . 0.0 113.411 174.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -54.75 138.42 42.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.762 1.225 . . . . 0.0 113.096 -172.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 57.9 m -53.98 -44.49 70.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.282 1.433 . . . . 0.0 114.228 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.61 103.95 16.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.488 1.115 . . . . 0.0 111.599 -174.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.28 -23.54 56.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.509 1.524 . . . . 0.0 113.374 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -66.24 -24.52 66.6 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.001 1.721 . . . . 0.0 113.974 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -123.73 4.2 8.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.448 1.499 . . . . 0.0 114.547 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.03 43.18 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.868 2.467 . . . . 0.0 114.756 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -145.43 154.69 42.53 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.491 0.716 . . . . 0.0 111.836 163.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.05 -19.41 31.47 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.965 1.306 . . . . 0.0 111.703 165.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.1 m -93.38 -16.19 24.89 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.619 1.168 . . . . 0.0 113.547 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.05 168.91 19.14 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.063 0.945 . . . . 0.0 112.71 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -82.49 -165.07 0.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.192 1.397 . . . . 0.0 112.778 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.02 168.18 26.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.889 2.475 . . . . 0.0 110.864 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -67.3 -33.82 76.09 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.163 -0.961 . . . . 0.0 112.74 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -151.26 129.85 12.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.375 1.47 . . . . 0.0 110.842 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.4 m -65.84 161.95 19.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.872 0.869 . . . . 0.0 111.833 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.0 -17.01 61.73 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.36 -3.26 44.06 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 126.301 1.84 . . . . 0.0 114.057 173.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -114.44 -33.27 5.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.614 1.966 . . . . 0.0 113.493 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.37 -56.18 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.037 1.29 . . . . 0.0 110.774 171.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -51.23 -31.79 21.87 Favored 'General case' 0 CA--C 1.551 1.0 0 O-C-N 120.836 -1.165 . . . . 0.0 113.696 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.52 -32.49 74.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.928 1.691 . . . . 0.0 114.353 171.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.88 -39.97 94.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.295 1.038 . . . . 0.0 111.435 174.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.92 -23.25 52.49 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.023 0.929 . . . . 0.0 112.713 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.95 34.48 8.88 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 126.08 1.8 . . . . 0.0 114.339 175.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.6 pt . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 126.075 1.75 . . . . 0.0 112.705 -166.196 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.475 0.798 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.466 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.96 -175.93 4.6 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.199 -157.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -113.58 171.4 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.084 0.954 . . . . 0.0 112.145 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.6 p -145.11 142.09 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.664 1.186 . . . . 0.0 110.031 168.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -88.23 141.09 28.83 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.813 1.245 . . . . 0.0 109.8 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.83 114.05 8.51 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.638 0.654 . . . . 0.0 109.544 162.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -64.01 -17.61 63.49 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.59 -16.75 28.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.795 0.838 . . . . 0.0 113.25 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 76.0 m -115.61 -104.75 0.4 Allowed 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 126.427 1.891 . . . . 0.0 110.222 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.4 p90 170.8 -17.41 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.001 1 C-N-CA 132.375 4.27 . . . . 0.0 109.958 -171.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -47.25 153.04 0.52 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.947 2.499 . . . . 0.0 113.19 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -113.93 153.74 28.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.675 1.19 . . . . 0.0 112.363 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -144.38 139.96 28.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.541 1.136 . . . . 0.0 111.909 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 122.1 26.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.532 1.933 . . . . 0.0 110.023 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.77 156.54 79.97 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 125.165 1.386 . . . . 0.0 112.757 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -68.42 150.03 75.39 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 121.915 1.743 . . . . 0.0 110.819 162.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.05 41.64 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.2 m -58.98 -28.49 66.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.921 1.288 . . . . 0.0 112.266 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.86 -41.45 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.977 0.911 . . . . 0.0 110.835 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.19 -19.72 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -92.26 -18.84 41.02 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.785 1.183 . . . . 0.0 114.436 171.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -84.3 -34.43 23.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.971 1.308 . . . . 0.0 112.304 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.47 0.542 0 C-N-CA 125.659 1.584 . . . . 0.0 107.723 167.318 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 121.279 0.561 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.15 131.9 44.97 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.4 pt -140.77 163.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.448 1.099 . . . . 0.0 111.599 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 17.8 m -49.9 -45.57 51.0 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.52 -13.09 61.74 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.911 -1.118 . . . . 0.0 113.643 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -12.21 28.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.821 1.649 . . . . 0.0 113.216 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -54.55 134.56 46.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.106 1.362 . . . . 0.0 112.598 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.5 m -56.01 -43.21 77.52 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.491 1.516 . . . . 0.0 113.749 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.01 99.8 11.25 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.323 1.049 . . . . 0.0 111.467 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -60.23 -18.21 47.11 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.147 1.779 . . . . 0.0 113.854 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -68.8 -24.32 64.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.219 1.808 . . . . 0.0 113.873 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -133.25 22.1 4.07 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.76 1.624 . . . . 0.0 112.804 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -96.52 40.53 1.13 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.928 1.691 . . . . 0.0 114.572 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -141.88 146.31 35.63 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.004 1.322 . . . . 0.0 110.986 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.6 m -58.58 -19.6 39.61 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.656 0.782 . . . . 0.0 112.116 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 38.2 m -86.44 -18.77 30.87 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.445 1.498 . . . . 0.0 114.368 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 6.3 mmpt? -75.69 -178.76 4.34 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.971 1.308 . . . . 0.0 113.516 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.8 t -106.87 -155.4 0.55 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.959 1.703 . . . . 0.0 112.553 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -145.54 167.93 21.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.978 2.111 . . . . 0.0 112.361 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.6 -35.53 74.5 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -151.31 132.86 14.77 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.901 1.681 . . . . 0.0 109.964 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.0 m -60.14 157.64 12.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.289 0.95 . . . . 0.0 111.685 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -55.02 -38.27 67.72 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.547 0.739 . . . . 0.0 111.691 -171.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.63 -27.62 68.79 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.469 1.508 . . . . 0.0 114.353 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -87.61 -48.63 7.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.445 1.498 . . . . 0.0 111.633 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.1 tp -59.43 -55.5 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.646 0.657 . . . . 0.0 111.798 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -58.52 -23.19 57.56 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.337 -1.477 . . . . 0.0 114.157 -175.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.68 -32.86 71.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.322 1.449 . . . . 0.0 114.055 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.1 -42.05 99.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.705 1.202 . . . . 0.0 112.201 -178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.7 mp -87.29 -27.89 22.62 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.858 0.863 . . . . 0.0 111.908 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 81.99 52.72 3.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.439 1.495 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 47.9 pt . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 125.314 1.446 . . . . 0.0 113.688 -165.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 C-N-CA 125.614 1.566 . . . . 0.0 114.606 -168.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.904 0.383 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -144.21 176.91 8.98 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.401 0.681 . . . . 0.0 111.836 -160.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -89.16 175.06 7.53 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.821 -1.174 . . . . 0.0 112.847 173.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.6 p -150.29 144.31 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.138 1.775 . . . . 0.0 110.279 165.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.36 143.97 27.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.828 0.851 . . . . 0.0 111.68 174.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.1 124.39 27.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.442 0.697 . . . . 0.0 110.982 161.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.36 -10.61 59.01 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 171.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -86.85 -30.53 21.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.393 0.997 . . . . 0.0 111.886 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 17.8 p -118.11 -101.24 0.43 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.94 1.296 . . . . 0.0 111.296 163.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -171.01 -11.48 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.573 2.349 . . . . 0.0 114.807 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -50.41 158.66 0.57 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.11 2.164 . . . . 0.0 114.358 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -114.05 150.05 34.56 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.438 1.095 . . . . 0.0 112.926 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -142.86 136.68 28.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.05 1.74 . . . . 0.0 110.978 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.93 111.98 19.74 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.439 1.496 . . . . 0.0 109.786 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 30.2 pt -112.88 159.43 34.54 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 127.753 2.421 . . . . 0.0 111.518 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.05 150.34 66.33 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 121.282 1.321 . . . . 0.0 111.973 167.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -46.35 -33.86 4.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.355 1.862 . . . . 0.0 114.735 172.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -58.92 -28.26 66.06 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.064 1.345 . . . . 0.0 112.671 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.29 -37.08 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.375 1.07 . . . . 0.0 111.291 173.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -22.57 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 119.496 1.044 . . . . 0.0 113.046 -178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.81 -18.55 63.28 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.537 1.065 . . . . 0.0 114.545 172.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -85.26 -41.5 15.51 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.771 1.229 . . . . 0.0 111.649 172.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 126.254 1.821 . . . . 0.0 109.384 168.412 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 121.558 0.694 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -78.51 141.59 38.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.881 1.272 . . . . 0.0 109.908 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -140.31 161.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.626 1.103 . . . . 0.0 113.546 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 74.4 m -49.39 -44.62 45.16 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.358 1.063 . . . . 0.0 113.622 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.72 -21.95 66.87 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.163 1.347 . . . . 0.0 112.92 -175.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -11.94 46.61 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.767 1.627 . . . . 0.0 113.421 175.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -54.69 138.86 40.74 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.91 1.284 . . . . 0.0 113.218 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -54.54 -43.94 72.41 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.26 1.424 . . . . 0.0 114.164 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.2 105.33 17.57 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.745 1.218 . . . . 0.0 111.564 -174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -58.21 -24.34 58.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.366 1.466 . . . . 0.0 113.39 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.83 -23.31 67.2 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.024 1.73 . . . . 0.0 114.013 172.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -128.19 10.37 6.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.473 1.509 . . . . 0.0 114.161 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -87.58 41.45 0.99 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.884 2.074 . . . . 0.0 114.605 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.09 152.05 37.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.797 0.839 . . . . 0.0 111.351 165.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.52 -15.7 7.84 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.144 0.978 . . . . 0.0 112.226 166.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.4 m -91.31 -18.9 23.6 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.508 1.123 . . . . 0.0 113.214 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -76.22 178.13 6.68 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.201 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.8 t -93.68 -159.72 0.71 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.267 1.427 . . . . 0.0 112.848 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -148.05 167.57 24.6 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.796 2.439 . . . . 0.0 110.892 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.95 -36.36 83.7 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.253 -0.905 . . . . 0.0 113.24 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 56.7 mtt -152.48 133.98 14.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.552 1.541 . . . . 0.0 110.873 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.1 p -62.05 155.89 22.81 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.984 0.897 . . . . 0.0 112.389 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.02 -31.43 71.05 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.3 -160.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -80.27 -11.91 59.67 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.148 1.779 . . . . 0.0 115.025 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -97.32 -38.23 9.74 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.312 1.445 . . . . 0.0 111.735 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -66.9 -55.68 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 118.669 0.668 . . . . 0.0 112.296 170.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -54.72 -27.96 44.58 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.003 -1.686 . . . . 0.0 114.321 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.31 -31.78 72.43 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.338 2.255 . . . . 0.0 114.344 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.78 -45.65 92.98 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.084 0.954 . . . . 0.0 111.885 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . 0.472 ' CD2' ' H ' ' B' ' 6' ' ' THR . 2.6 mp -83.12 -30.47 27.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.809 0.844 . . . . 0.0 112.167 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.73 39.54 6.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.271 1.415 . . . . 0.0 112.735 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 24.4 pt . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 126.095 1.758 . . . . 0.0 112.157 -171.697 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.472 ' H ' ' CD2' ' A' ' 919' ' ' LEU 0.255 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 C-N-CA 128.782 2.833 . . . . 0.0 116.776 -175.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 121.425 0.631 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -130.94 -177.88 4.57 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.721 0.808 . . . . 0.0 112.584 -160.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -98.95 172.33 7.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.421 -0.8 . . . . 0.0 111.169 161.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.69 145.21 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.707 1.603 . . . . 0.0 110.006 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.43 144.56 28.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.504 1.521 . . . . 0.0 111.533 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.0 t -73.1 117.88 15.37 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.032 0.933 . . . . 0.0 111.447 167.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -78.3 6.3 8.58 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 168.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -101.25 -30.62 11.42 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.493 1.042 . . . . 0.0 112.53 167.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.269 14.4 p -126.09 -98.81 0.4 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.397 1.479 . . . . 0.0 112.119 168.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -162.04 -13.04 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.838 2.455 . . . . 0.0 114.991 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -43.12 136.52 2.83 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.982 1.713 . . . . 0.0 113.939 -173.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -101.75 143.43 31.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.362 1.065 . . . . 0.0 111.658 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -142.84 137.21 29.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.905 1.682 . . . . 0.0 110.246 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.3 30.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.65 1.18 . . . . 0.0 109.549 174.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.2 pt -127.34 156.2 75.28 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 127.377 2.271 . . . . 0.0 111.102 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.91 154.92 62.96 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.459 1.439 . . . . 0.0 111.454 167.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -51.75 -26.18 8.99 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.0 m -60.75 -27.18 67.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.986 1.314 . . . . 0.0 112.79 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 91.4 t -91.21 -38.81 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.429 1.092 . . . . 0.0 110.818 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.73 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.981 0.809 . . . . 0.0 112.801 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.47 -17.86 70.11 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.974 1.274 . . . . 0.0 114.197 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.4 t -91.94 -41.22 10.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.2 1.4 . . . . 0.0 112.113 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.471 0.602 0 C-N-CA 125.19 1.396 . . . . 0.0 109.486 177.157 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.647 0.737 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -76.07 135.32 39.9 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.201 1.001 . . . . 0.0 109.477 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.4 pt -142.97 164.87 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.82 0.848 . . . . 0.0 112.768 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 75.0 m -49.11 -47.44 45.36 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.313 -0.867 . . . . 0.0 113.215 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -63.66 -25.27 68.14 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.844 1.202 . . . . 0.0 112.878 -173.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -7.65 56.7 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -54.54 136.36 44.92 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.679 1.592 . . . . 0.0 111.862 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 56.6 m -60.27 -42.34 95.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.345 1.458 . . . . 0.0 113.475 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.14 102.47 13.3 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.243 1.017 . . . . 0.0 111.368 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -58.93 -21.64 58.43 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.865 1.666 . . . . 0.0 113.512 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.05 -26.26 68.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.099 1.76 . . . . 0.0 113.563 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -133.02 16.87 4.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.535 1.534 . . . . 0.0 113.616 -173.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.37 32.66 0.93 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.972 1.709 . . . . 0.0 114.975 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -149.87 148.67 29.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.968 1.307 . . . . 0.0 111.49 166.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.56 -18.36 4.32 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 125.786 1.634 . . . . 0.0 112.599 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 33.6 m -90.67 -15.01 31.15 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.359 1.864 . . . . 0.0 113.569 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.11 -175.49 1.84 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.9 t -81.18 -159.84 0.29 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.008 1.723 . . . . 0.0 113.147 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -153.61 155.7 36.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 128.192 2.597 . . . . 0.0 109.893 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.8 -40.11 91.59 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.541 1.519 . . . . 0.0 112.052 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -144.33 140.08 28.91 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.026 1.33 . . . . 0.0 110.388 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.03 156.58 20.92 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.184 0.902 . . . . 0.0 111.152 173.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -61.59 -32.3 72.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -163.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -71.39 -28.53 64.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.532 1.133 . . . . 0.0 113.037 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -83.11 -37.24 24.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.384 1.074 . . . . 0.0 111.95 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.7 tp -67.87 -54.85 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.667 0.667 . . . . 0.0 111.081 169.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -57.83 -26.28 61.8 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.445 -1.409 . . . . 0.0 114.043 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -66.26 -36.35 82.76 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.157 1.383 . . . . 0.0 114.164 167.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -65.82 -33.45 75.89 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.97 1.308 . . . . 0.0 112.516 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.62 -38.45 29.23 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.854 0.862 . . . . 0.0 111.946 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.81 38.71 4.84 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.852 1.691 . . . . 0.0 113.302 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 15.9 pt . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 125.892 1.677 . . . . 0.0 112.869 -167.471 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 125.022 1.329 . . . . 0.0 112.588 176.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -125.86 -172.34 2.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.687 1.595 . . . . 0.0 113.102 -163.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -104.32 175.71 5.4 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.526 -0.734 . . . . 0.0 111.821 159.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.15 146.17 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.392 1.477 . . . . 0.0 110.801 163.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 0.2 OUTLIER -96.21 142.95 27.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 111.728 178.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.93 126.51 30.63 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.8 0.84 . . . . 0.0 111.754 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -83.3 -10.59 58.42 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.94 -27.4 22.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.111 0.869 . . . . 0.0 112.662 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.265 16.0 p -128.78 -94.15 0.43 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.819 1.247 . . . . 0.0 111.761 166.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -170.51 -18.1 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.179 2.592 . . . . 0.0 113.177 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.02 141.53 2.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.08 1.352 . . . . 0.0 114.325 -174.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . 0.412 ' CZ3' ' HB2' ' A' ' 867' ' ' ARG . 76.5 m95 -101.84 148.85 24.82 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 125.505 1.522 . . . . 0.0 112.063 -176.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -145.07 138.93 27.03 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.307 1.443 . . . . 0.0 110.289 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -76.23 128.32 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.492 1.517 . . . . 0.0 109.85 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.3 pt -135.33 155.6 78.56 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 125.308 1.443 . . . . 0.0 112.508 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -66.79 149.27 83.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 121.839 1.693 . . . . 0.0 111.017 163.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.28 62.63 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 70.8 m -60.57 -25.55 66.28 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.129 -0.982 . . . . 0.0 112.792 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.4 t -84.37 -38.81 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.625 0.77 . . . . 0.0 110.471 171.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -19.46 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 118.914 0.779 . . . . 0.0 113.048 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.03 -21.24 46.82 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.974 1.273 . . . . 0.0 114.732 169.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -83.68 -35.78 24.26 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 112.145 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 125.313 1.445 . . . . 0.0 108.906 174.314 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 120.832 0.349 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -106.85 138.27 43.34 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.01 1.724 . . . . 0.0 110.366 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 22.8 pt -142.21 162.39 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.966 0.906 . . . . 0.0 112.756 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 71.2 m -46.48 -47.82 19.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.564 1.146 . . . . 0.0 113.325 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 52.8 mtt -65.5 -19.63 66.01 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.907 1.23 . . . . 0.0 113.09 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -15.12 37.73 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.94 1.696 . . . . 0.0 113.375 174.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 139.35 44.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.013 1.325 . . . . 0.0 112.7 -172.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.8 m -54.59 -48.45 72.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.735 1.214 . . . . 0.0 113.234 173.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.73 103.98 16.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.453 1.101 . . . . 0.0 112.142 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . 0.576 ' CA ' ' HE3' ' A' ' 899' ' ' LYS . 0.0 OUTLIER -59.77 -18.96 47.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.582 1.953 . . . . 0.0 114.014 -177.047 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -67.13 -24.92 65.97 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.396 1.478 . . . . 0.0 113.657 170.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.27 5.66 5.8 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -80.87 35.98 0.38 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.359 2.263 . . . . 0.0 114.836 -172.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.42 148.41 30.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 0.0 111.599 168.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 83.6 m -57.98 -16.07 11.19 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.405 1.482 . . . . 0.0 112.834 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 60.9 m -91.78 -14.81 29.24 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.223 1.409 . . . . 0.0 113.27 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -77.53 179.5 6.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -87.7 -161.64 0.73 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.168 1.787 . . . . 0.0 113.051 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.62 156.83 42.57 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.151 2.581 . . . . 0.0 110.486 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.33 -39.19 93.4 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.057 1.298 . . . . 0.0 112.277 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.58 140.37 27.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 0.0 109.636 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 p -60.46 151.89 27.12 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.142 1.337 . . . . 0.0 111.51 168.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.73 -34.74 74.86 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -164.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.41 -26.59 68.52 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.039 0.936 . . . . 0.0 113.372 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -85.98 -39.33 17.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.411 1.084 . . . . 0.0 112.586 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -71.49 -54.02 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.379 0.99 . . . . 0.0 111.922 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -56.33 -26.14 51.33 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 120.007 -1.683 . . . . 0.0 113.77 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.39 -32.71 74.43 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.182 1.793 . . . . 0.0 114.794 168.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -64.8 -38.5 91.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.252 1.421 . . . . 0.0 111.819 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.6 mp -84.01 -36.29 23.26 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.09 0.956 . . . . 0.0 112.186 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.2 44.52 3.51 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.509 1.528 . . . . 0.0 113.102 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 23.6 pt . . . . . 0 N--CA 1.477 0.88 0 C-N-CA 126.228 1.811 . . . . 0.0 112.131 -171.016 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -171.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -131.66 179.69 5.9 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.86 0.864 . . . . 0.0 112.034 -155.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -92.66 174.55 7.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.171 -0.956 . . . . 0.0 112.016 160.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.79 142.83 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.638 1.975 . . . . 0.0 109.395 166.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.96 147.85 27.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.295 1.038 . . . . 0.0 111.576 174.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.77 112.47 8.84 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.127 0.489 . . . . 0.0 109.694 155.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -62.35 -16.65 55.73 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 171.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.64 -13.19 23.02 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.01 1.324 . . . . 0.0 113.665 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 87.4 m -118.54 -103.71 0.41 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 126.258 1.823 . . . . 0.0 110.36 170.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 51.8 p90 174.09 -16.68 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.929 1 C-N-CA 132.273 4.229 . . . . 0.0 110.232 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.453 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 7.1 ttpt -45.88 153.86 0.27 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.375 2.67 . . . . 0.0 113.465 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -119.96 148.75 43.15 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.818 0.847 . . . . 0.0 113.04 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -141.78 137.21 31.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.153 1.381 . . . . 0.0 112.613 172.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 126.03 31.21 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.462 1.505 . . . . 0.0 110.059 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.19 159.69 70.42 Favored Pre-proline 0 N--CA 1.471 0.581 0 C-N-CA 128.136 2.574 . . . . 0.0 111.55 -173.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -69.9 151.04 68.16 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.545 1.497 . . . . 0.0 111.474 163.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.79 -23.1 40.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 39.1 t -59.17 -30.18 68.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.261 1.024 . . . . 0.0 112.043 173.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 93.8 t -84.24 -42.34 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.197 0.999 . . . . 0.0 110.526 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -21.47 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 121.497 -0.752 . . . . 0.0 112.401 -177.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -90.96 7.51 81.05 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.396 1.95 . . . . 0.0 114.843 173.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 21.9 t -129.66 -25.67 2.57 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.659 1.584 . . . . 0.0 113.191 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 124.879 1.271 . . . . 0.0 109.373 169.431 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -78.34 128.9 34.34 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 165.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.6 pt -141.56 164.35 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.182 0.993 . . . . 0.0 111.543 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.453 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 22.3 m -49.81 -45.59 50.16 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.76 -23.98 67.58 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.998 1.272 . . . . 0.0 113.082 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -14.13 47.82 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.439 1.496 . . . . 0.0 113.508 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -55.95 135.82 52.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.16 1.384 . . . . 0.0 112.768 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.3 m -57.69 -43.33 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.265 1.426 . . . . 0.0 113.593 170.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.25 103.84 13.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.378 1.071 . . . . 0.0 112.213 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.86 -16.17 38.57 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.167 1.787 . . . . 0.0 113.438 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -57.8 -32.53 67.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 168.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -140.58 17.96 2.36 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -84.43 39.27 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.542 1.537 . . . . 0.0 114.782 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.87 144.48 31.13 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.515 1.526 . . . . 0.0 110.953 173.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.5 m -59.69 -20.11 54.17 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.327 0.651 . . . . 0.0 111.969 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 20.4 m -87.2 -17.87 31.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.333 1.453 . . . . 0.0 114.087 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -74.73 175.13 8.23 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.561 1.144 . . . . 0.0 113.878 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.7 t -87.28 -156.49 0.34 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.912 1.685 . . . . 0.0 112.249 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.79 166.15 34.18 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.22 2.608 . . . . 0.0 110.595 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -73.73 -26.22 60.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.4 mmt -148.9 128.66 13.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.391 1.476 . . . . 0.0 110.305 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.1 m -61.69 160.88 10.85 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.153 0.981 . . . . 0.0 110.96 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.18 -26.85 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 120.6 -1.312 . . . . 0.0 112.794 -174.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.07 -0.77 29.34 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.628 1.571 . . . . 0.0 114.126 170.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -114.25 -45.91 3.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.937 . . . . 0.0 111.564 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.38 7.26 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 123.804 1.764 . . . . 0.0 114.837 174.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -94.25 -41.3 9.54 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.653 -1.904 . . . . 0.0 112.601 156.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.69 -30.4 70.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.904 1.281 . . . . 0.0 113.904 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -60.05 -33.47 72.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.775 0.83 . . . . 0.0 112.843 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.44 -26.72 14.75 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 97.34 28.59 8.43 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.192 1.377 . . . . 0.0 113.38 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 49.7 pt . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 126.623 1.969 . . . . 0.0 111.435 -178.11 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.473 0.723 0 C-N-CA 124.971 1.309 . . . . 0.0 112.862 -174.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -133.9 178.14 7.18 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.521 1.128 . . . . 0.0 111.708 -151.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -94.17 175.35 6.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.949 -1.095 . . . . 0.0 112.24 167.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.97 143.4 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.21 1.804 . . . . 0.0 110.254 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 148.74 23.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.797 1.239 . . . . 0.0 111.921 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.11 119.32 19.1 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.978 0.911 . . . . 0.0 110.691 161.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -77.13 -4.6 45.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 170.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -90.64 -50.99 5.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.697 1.135 . . . . 0.0 110.884 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.298 13.7 p -103.45 -102.88 0.29 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.639 1.176 . . . . 0.0 111.26 167.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -164.91 -13.32 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -53.38 141.27 24.96 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -93.8 145.33 24.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.408 1.083 . . . . 0.0 111.749 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -142.02 135.73 29.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.524 1.53 . . . . 0.0 112.986 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.55 124.57 28.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.978 1.311 . . . . 0.0 110.644 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.18 160.32 68.45 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 128.145 2.578 . . . . 0.0 111.319 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -68.38 149.58 75.28 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 121.593 1.529 . . . . 0.0 111.788 166.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -57.22 -25.84 59.73 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -60.71 -27.22 67.73 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.615 1.166 . . . . 0.0 112.429 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 83.5 t -89.23 -39.18 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.93 0.892 . . . . 0.0 110.899 172.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -22.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.416 1.007 . . . . 0.0 113.146 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.42 -20.15 49.56 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.528 1.061 . . . . 0.0 114.402 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.2 t -79.95 -40.42 28.09 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.569 1.147 . . . . 0.0 111.505 170.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 125.957 1.703 . . . . 0.0 109.951 168.525 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 121.057 0.456 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -77.4 133.73 38.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.408 0.683 . . . . 0.0 109.238 171.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 15.7 pt -141.88 163.08 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.025 0.93 . . . . 0.0 111.808 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.5 m -48.71 -47.8 40.85 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.72 0.808 . . . . 0.0 112.886 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 73.0 mtm -68.2 -14.67 63.16 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.725 -1.235 . . . . 0.0 113.619 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -15.55 34.05 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.644 1.577 . . . . 0.0 113.15 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -59.1 137.02 58.12 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.248 1.419 . . . . 0.0 112.925 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 41.8 m -59.0 -42.42 90.0 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.084 1.354 . . . . 0.0 113.561 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -83.77 103.97 13.5 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.448 1.099 . . . . 0.0 112.044 -172.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.0 -18.95 49.76 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.059 1.744 . . . . 0.0 113.497 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -60.29 -27.37 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.248 1.819 . . . . 0.0 113.09 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -137.04 12.1 3.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.04 31.46 0.32 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -148.34 147.23 29.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.203 1.801 . . . . 0.0 110.466 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 72.4 m -59.97 -17.02 34.95 Favored 'General case' 0 CA--C 1.561 1.391 0 O-C-N 121.379 -0.826 . . . . 0.0 112.337 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 67.4 m -85.62 -22.03 28.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.491 1.516 . . . . 0.0 113.596 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -72.09 -179.83 2.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.436 0.695 . . . . 0.0 112.027 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 6.2 t -152.46 152.71 32.29 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.44 162.44 25.49 Favored 'General case' 0 CA--C 1.541 0.599 1 C-N-CA 134.138 4.975 . . . . 0.0 116.797 -154.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -88.3 -29.46 20.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.289 1.036 . . . . 0.0 113.123 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.7 mmt -141.25 137.52 32.6 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 109.583 167.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.6 m -67.11 161.16 25.17 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.341 0.973 . . . . 0.0 111.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -68.23 -19.88 64.77 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -168.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -67.81 -43.41 79.71 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.773 0.715 . . . . 0.0 111.214 166.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -72.65 -46.4 54.12 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.037 0.935 . . . . 0.0 111.305 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.293 1.3 tp -80.11 15.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 173.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . 0.284 0.8 OUTLIER -111.12 -32.9 6.63 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.642 -1.286 . . . . 0.0 113.874 155.319 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.08 -32.63 74.43 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.454 1.102 . . . . 0.0 113.361 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.23 -31.35 68.98 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.36 1.064 . . . . 0.0 112.958 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.9 mp -105.78 -28.95 10.36 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.526 1.131 . . . . 0.0 112.559 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.21 44.29 5.07 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.329 1.442 . . . . 0.0 112.67 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 44.1 pt . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 125.724 1.609 . . . . 0.0 112.84 -171.013 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 121.034 0.445 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.925 0 C-N-CA 124.752 1.221 . . . . 0.0 113.861 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 121.028 0.442 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -129.47 -174.32 3.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.113 1.765 . . . . 0.0 111.741 -171.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -104.98 170.7 7.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.097 -1.002 . . . . 0.0 111.728 164.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.3 p -144.48 143.48 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.934 1.694 . . . . 0.0 109.692 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -95.66 150.26 20.56 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.546 1.138 . . . . 0.0 112.343 175.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.8 t -74.16 124.77 26.96 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.554 1.142 . . . . 0.0 112.142 170.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.74 -9.63 58.56 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -108.24 -32.03 7.65 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.98 1.264 . . . . 0.0 113.391 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.295 14.4 p -113.73 -104.67 0.4 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.28 1.032 . . . . 0.0 110.73 161.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -168.57 -3.51 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.181 2.193 . . . . 0.0 115.706 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.424 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 3.0 tppt? -47.52 151.57 0.78 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.92 2.488 . . . . 0.0 113.29 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -108.05 149.21 28.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.048 1.339 . . . . 0.0 112.857 171.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -143.85 136.25 26.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.932 1.293 . . . . 0.0 111.751 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 124.87 29.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.149 1.38 . . . . 0.0 109.509 175.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 50.3 pt -129.83 155.81 79.91 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 126.88 2.072 . . . . 0.0 111.537 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -68.24 150.14 76.43 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.547 1.498 . . . . 0.0 111.021 164.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.37 -21.79 16.86 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 67.6 m -62.47 -25.19 67.86 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.241 -0.912 . . . . 0.0 112.588 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 99.4 t -87.53 -40.03 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 110.678 171.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -20.93 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.78 0.718 . . . . 0.0 112.699 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.61 -20.67 59.56 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.996 1.284 . . . . 0.0 114.306 171.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.1 t -85.82 -42.4 14.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.931 1.292 . . . . 0.0 111.953 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.712 1.605 . . . . 0.0 109.857 175.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.275 0.56 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -73.76 130.07 39.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.2 pt -142.35 163.66 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.99 0.916 . . . . 0.0 112.507 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.424 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 57.9 m -50.45 -45.16 55.81 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.137 0.975 . . . . 0.0 113.338 174.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.7 tpp -63.84 -23.93 67.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.052 1.296 . . . . 0.0 112.604 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.61 -14.37 48.9 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.744 1.617 . . . . 0.0 113.302 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.9 134.38 52.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.843 1.257 . . . . 0.0 112.421 -173.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 46.3 m -56.85 -42.8 80.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.364 1.466 . . . . 0.0 113.617 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.57 101.99 13.16 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.371 1.069 . . . . 0.0 111.722 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -60.5 -18.67 53.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.898 1.679 . . . . 0.0 113.88 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -66.32 -24.77 66.59 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.317 1.847 . . . . 0.0 113.397 171.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -136.08 21.79 3.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.441 1.496 . . . . 0.0 113.569 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -94.92 34.12 1.4 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.908 1.683 . . . . 0.0 115.036 -172.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.25 146.52 30.78 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.04 1.336 . . . . 0.0 110.722 172.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.3 m -56.42 -18.85 12.5 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.768 0.827 . . . . 0.0 112.211 171.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.8 m -89.39 -19.1 25.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.134 1.773 . . . . 0.0 114.61 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -69.92 177.42 3.14 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.1 t -78.77 -166.94 0.97 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.6 1.56 . . . . 0.0 113.185 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -147.75 147.65 30.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.924 2.49 . . . . 0.0 109.804 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.82 -24.13 61.66 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.694 -1.254 . . . . 0.0 113.903 -174.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.4 mtt -143.46 139.69 30.0 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.863 1.265 . . . . 0.0 109.091 171.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -67.37 158.91 30.51 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.63 1.559 . . . . 0.0 110.583 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.69 -33.53 74.16 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.482 -0.761 . . . . 0.0 111.752 -169.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.01 -10.25 59.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.386 1.875 . . . . 0.0 114.825 175.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -99.97 -42.13 6.9 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.729 1.612 . . . . 0.0 111.15 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.9 tp -70.42 -50.58 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.978 -0.451 . . . . 0.0 111.619 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -55.38 -26.59 42.22 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.968 -1.707 . . . . 0.0 113.893 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -70.06 -35.82 74.53 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.788 2.035 . . . . 0.0 114.368 170.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -65.28 -39.98 93.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.116 0.966 . . . . 0.0 111.759 174.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.33 -34.69 42.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.386 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 82.7 47.62 5.86 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.596 1.569 . . . . 0.0 113.077 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 39.3 pt . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 113.938 -165.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 125.746 1.618 . . . . 0.0 113.582 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.16 -178.67 5.01 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.196 1.398 . . . . 0.0 113.092 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . 0.425 ' HE1' HG23 ' B' ' 6' ' ' THR . 51.2 m95 -130.54 138.64 50.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 123.742 0.817 . . . . 0.0 111.816 167.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -115.08 136.82 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.068 0.947 . . . . 0.0 111.466 -168.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.38 143.28 27.1 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.788 0.835 . . . . 0.0 111.944 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.7 124.51 23.47 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.439 0.695 . . . . 0.0 111.305 165.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.35 -12.51 61.16 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.815 1.246 . . . . 0.0 113.963 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -100.73 -29.77 12.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.752 1.16 . . . . 0.0 112.571 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.277 14.5 p -121.94 -104.22 0.39 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.746 1.218 . . . . 0.0 111.188 160.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -170.84 -4.64 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.348 2.259 . . . . 0.0 115.804 -174.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.83 141.25 13.57 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.219 0.918 . . . . 0.0 112.716 176.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -96.35 149.69 21.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.195 1.398 . . . . 0.0 111.939 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -143.27 136.67 28.24 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.258 1.823 . . . . 0.0 110.899 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.49 126.67 30.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.19 1.796 . . . . 0.0 109.67 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.6 pt -133.4 154.65 81.02 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 126.093 1.757 . . . . 0.0 111.548 -177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -70.49 152.33 65.47 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.521 1.481 . . . . 0.0 110.931 166.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -51.78 -26.56 9.91 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 173.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.5 m -61.47 -25.74 67.44 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.685 0.794 . . . . 0.0 112.495 175.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 87.5 t -88.33 -41.03 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.904 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -20.3 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.165 0.893 . . . . 0.0 113.341 -176.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -87.48 -16.22 60.69 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.756 1.17 . . . . 0.0 114.253 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.7 t -89.6 -39.18 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.305 1.442 . . . . 0.0 112.133 174.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 125.642 1.577 . . . . 0.0 109.041 172.148 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.735 0.302 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -77.35 133.1 38.82 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 169.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.9 pt -141.57 162.84 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.653 0.781 . . . . 0.0 112.476 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 81.4 m -47.97 -47.43 32.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.292 1.037 . . . . 0.0 113.158 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.26 -20.79 66.58 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 120.199 1.363 . . . . 0.0 112.973 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -14.99 42.92 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.635 1.574 . . . . 0.0 113.495 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -55.43 134.38 50.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.831 1.253 . . . . 0.0 112.253 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 9.0 m -57.2 -40.37 77.29 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.744 1.218 . . . . 0.0 113.605 172.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.83 98.74 11.64 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.124 0.964 . . . . 0.0 111.597 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.11 -18.21 45.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.263 1.825 . . . . 0.0 113.794 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.41 -25.62 66.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.767 1.627 . . . . 0.0 113.409 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -129.83 9.67 5.43 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.09 37.47 0.49 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.336 2.255 . . . . 0.0 114.703 -172.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.94 149.47 30.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 111.579 167.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.7 m -57.65 -17.3 13.96 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 125.264 1.426 . . . . 0.0 112.545 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 28.5 m -89.02 -17.64 28.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.839 1.656 . . . . 0.0 113.008 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -77.89 177.97 7.8 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -88.03 -161.93 0.77 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.979 1.711 . . . . 0.0 113.096 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -152.65 153.85 34.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.057 2.543 . . . . 0.0 110.163 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.96 -37.31 87.23 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.622 -1.299 . . . . 0.0 112.455 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 63.5 mtt -144.08 140.14 29.3 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.697 1.599 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -64.58 158.27 24.73 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.426 1.012 . . . . 0.0 110.79 175.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.03 -29.3 70.71 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.306 -0.871 . . . . 0.0 112.215 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -79.86 -1.44 39.09 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.832 2.053 . . . . 0.0 115.046 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -108.65 -39.64 5.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.167 1.787 . . . . 0.0 111.607 175.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -52.21 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.515 -0.741 . . . . 0.0 111.478 172.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -53.19 -30.72 39.13 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.228 -1.545 . . . . 0.0 113.475 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.32 -34.05 76.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.771 1.628 . . . . 0.0 114.095 173.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.77 -38.58 91.45 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.455 -0.778 . . . . 0.0 112.0 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.7 mt -77.25 -24.91 51.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.403 1.081 . . . . 0.0 112.148 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.78 33.14 10.19 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.686 1.613 . . . . 0.0 113.523 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 35.1 pt . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 126.376 1.87 . . . . 0.0 111.894 -167.549 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 121.842 0.829 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.425 HG23 ' HE1' ' A' ' 865' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 C-N-CA 125.995 1.718 . . . . 0.0 114.889 -171.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 121.772 0.796 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -151.24 175.62 12.01 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.043 1.337 . . . . 0.0 111.814 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -97.31 176.61 5.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.09 -1.006 . . . . 0.0 111.625 162.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 9.6 p -146.99 139.21 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.978 1.311 . . . . 0.0 110.599 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -87.68 141.41 28.63 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.477 1.511 . . . . 0.0 110.533 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.08 119.66 15.52 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.055 0.542 . . . . 0.0 111.1 165.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.1 -13.97 62.74 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -91.02 -28.81 17.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.068 1.304 . . . . 0.0 112.864 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 15.4 p -122.39 -98.59 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.837 1.255 . . . . 0.0 111.407 164.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -173.81 -8.66 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.65 2.38 . . . . 0.0 114.996 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.623 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.8 tmmm? -45.35 146.61 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.884 2.074 . . . . 0.0 113.316 178.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -108.48 147.8 31.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.023 0.929 . . . . 0.0 113.478 -175.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -145.03 139.16 27.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.008 1.323 . . . . 0.0 111.983 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -82.54 126.72 32.6 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.195 1.398 . . . . 0.0 110.118 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 47.0 pt -130.09 158.9 72.67 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.032 2.133 . . . . 0.0 111.136 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -67.54 147.96 77.7 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 121.424 1.416 . . . . 0.0 110.349 162.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.01 -19.69 53.89 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 78.2 p -61.61 -26.36 67.93 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.095 -1.003 . . . . 0.0 112.889 170.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.9 t -84.81 -38.16 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.924 0.89 . . . . 0.0 110.256 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.54 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.93 0.786 . . . . 0.0 112.914 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.91 -23.21 56.23 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.9 1.238 . . . . 0.0 114.274 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.0 t -85.74 -39.81 16.77 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.019 1.328 . . . . 0.0 112.241 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 125.843 1.657 . . . . 0.0 108.693 172.043 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 121.198 0.523 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -71.37 132.15 44.42 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 164.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.2 pt -141.32 163.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.117 0.967 . . . . 0.0 112.43 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.623 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 59.0 m -50.41 -45.87 55.93 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 174.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.35 -26.07 68.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.694 1.133 . . . . 0.0 112.367 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -14.24 54.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.491 1.516 . . . . 0.0 113.434 176.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -54.99 134.64 49.04 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.06 1.344 . . . . 0.0 112.457 -173.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 12.8 m -58.61 -41.24 85.45 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.567 1.147 . . . . 0.0 113.599 172.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -86.02 100.05 11.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 122.018 0.913 . . . . 0.0 111.979 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -60.71 -17.48 48.48 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.095 1.758 . . . . 0.0 113.928 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -64.76 -25.84 68.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.505 1.522 . . . . 0.0 113.284 170.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -132.3 8.75 4.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.33 40.13 0.7 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.144 2.178 . . . . 0.0 115.35 -168.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -147.81 150.1 33.56 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.677 1.591 . . . . 0.0 111.558 169.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 74.3 m -58.22 -21.69 48.96 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.662 1.185 . . . . 0.0 112.065 171.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 45.5 m -84.95 -20.31 30.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.663 1.585 . . . . 0.0 113.27 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.42 169.11 18.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.177 0.991 . . . . 0.0 112.958 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.3 t -91.38 -159.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.422 1.489 . . . . 0.0 112.458 -175.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.27 163.43 38.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.867 2.467 . . . . 0.0 111.218 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.47 -26.04 65.28 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -172.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.5 mmt -144.88 136.19 25.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.36 1.064 . . . . 0.0 111.921 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.66 157.2 21.4 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.649 0.659 . . . . 0.0 111.575 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -60.88 -33.0 72.43 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -164.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.89 -16.77 54.68 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.512 1.525 . . . . 0.0 113.574 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -88.74 -41.66 12.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.074 1.35 . . . . 0.0 111.587 174.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.25 1.4 tp -65.05 -58.51 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 118.743 0.701 . . . . 0.0 111.344 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -55.39 -29.05 57.77 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 120.08 -1.637 . . . . 0.0 114.286 -173.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.42 -31.3 72.33 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.313 1.845 . . . . 0.0 114.753 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -58.88 -34.46 71.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 112.536 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . 0.437 ' CD2' ' H ' ' B' ' 5' ' ' GLN . 1.7 mp -96.26 -32.72 12.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.44 1.096 . . . . 0.0 112.218 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.93 4.75 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.255 1.407 . . . . 0.0 113.021 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 126.138 1.775 . . . . 0.0 112.118 -171.564 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.437 ' H ' ' CD2' ' A' ' 919' ' ' LEU . 9.9 pm0 . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.482 1.137 0 O-C-N 121.028 -1.045 . . . . 0.0 113.745 -171.313 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.06 -179.86 6.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.353 0.661 . . . . 0.0 112.44 -167.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -97.09 177.22 5.66 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.174 -0.954 . . . . 0.0 112.758 167.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.4 p -148.77 140.92 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.959 1.704 . . . . 0.0 110.594 167.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -83.75 143.58 29.91 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.606 1.162 . . . . 0.0 110.956 172.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.2 t -68.57 120.5 14.69 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.199 0.523 . . . . 0.0 109.943 160.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -67.72 -9.99 48.58 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.36 1.464 . . . . 0.0 113.948 172.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -105.18 -27.35 11.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.488 1.115 . . . . 0.0 112.874 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 68.0 m -104.59 -113.21 0.24 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.837 1.655 . . . . 0.0 110.436 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 47.4 p90 179.29 -16.79 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 1 C-N-CA 132.0 4.12 . . . . 0.0 110.435 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . 0.483 ' HE3' ' SG ' ' A' ' 893' ' ' CYS . 0.1 OUTLIER -40.45 148.62 0.09 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.057 2.943 . . . . 0.0 112.907 164.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -117.9 157.76 26.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.895 1.278 . . . . 0.0 113.305 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -146.27 139.02 25.46 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.96 1.304 . . . . 0.0 111.594 171.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 124.57 27.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.849 1.66 . . . . 0.0 109.453 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 37.0 pt -129.71 156.18 79.23 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.669 2.388 . . . . 0.0 111.467 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.95 151.23 73.64 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 121.501 1.467 . . . . 0.0 111.372 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.19 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.13 -24.79 68.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.276 -0.89 . . . . 0.0 112.684 174.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 86.7 t -89.34 -38.91 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.125 0.97 . . . . 0.0 110.727 172.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.42 -22.21 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.037 0.835 . . . . 0.0 112.744 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.96 -17.94 68.73 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.835 1.207 . . . . 0.0 114.346 172.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -90.94 -39.91 12.0 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.329 1.451 . . . . 0.0 112.409 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 125.278 1.431 . . . . 0.0 109.907 178.062 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.791 0.805 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -70.76 128.17 35.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.0 pt -141.08 164.21 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.837 0.855 . . . . 0.0 112.265 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . 0.483 ' SG ' ' HE3' ' A' ' 873' ' ' LYS . 13.6 m -48.14 -45.95 33.81 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.906 0.882 . . . . 0.0 112.798 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.25 -13.97 62.48 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.798 -1.189 . . . . 0.0 113.91 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -12.37 28.62 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.746 1.618 . . . . 0.0 113.213 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.92 135.47 48.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.207 1.403 . . . . 0.0 112.732 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 14.6 m -58.05 -41.88 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.835 1.254 . . . . 0.0 113.708 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -85.21 98.59 10.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.204 1.002 . . . . 0.0 111.795 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.84 -18.09 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.551 1.94 . . . . 0.0 113.945 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.29 -24.38 65.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.504 1.522 . . . . 0.0 113.407 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -132.17 14.16 4.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.953 1.301 . . . . 0.0 113.882 -174.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.7 40.09 1.01 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.938 2.095 . . . . 0.0 114.519 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.61 146.59 36.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.127 1.371 . . . . 0.0 110.553 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 75.6 m -61.31 -10.22 6.66 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.358 1.063 . . . . 0.0 112.943 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 34.9 m -93.31 -16.68 24.44 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.171 1.388 . . . . 0.0 113.439 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 9.0 mmpt? -79.41 177.02 9.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 87.5 p -97.41 -164.97 1.2 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.86 2.864 . . . . 0.0 113.123 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -150.31 167.49 26.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.04 1.736 . . . . 0.0 111.182 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.82 -34.81 68.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -146.81 135.08 21.74 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.548 1.539 . . . . 0.0 111.241 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 5.6 p -65.19 162.01 18.05 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.434 1.015 . . . . 0.0 112.811 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -66.09 -22.66 66.41 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -168.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -77.86 -5.61 51.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.915 1.286 . . . . 0.0 113.947 170.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -108.73 -45.3 3.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.991 1.716 . . . . 0.0 111.231 171.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.272 1.0 OUTLIER -78.85 14.96 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 123.608 1.671 . . . . 0.0 115.23 174.563 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -107.29 -35.77 6.72 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 120.495 -1.378 . . . . 0.0 112.825 156.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.81 -32.65 73.35 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.685 1.594 . . . . 0.0 113.478 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.45 -30.27 68.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.642 0.777 . . . . 0.0 112.563 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.91 -30.78 10.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.706 1.202 . . . . 0.0 112.852 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.8 7.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.279 1.419 . . . . 0.0 113.303 -176.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 50.1 pt . . . . . 0 N--CA 1.474 0.76 0 C-N-CA 126.073 1.749 . . . . 0.0 112.818 -172.614 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -166.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -113.83 -172.27 2.05 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.944 0.898 . . . . 0.0 111.973 -160.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -101.41 172.67 6.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.721 0.772 . . . . 0.0 111.908 170.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -146.61 141.81 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.665 1.586 . . . . 0.0 109.691 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.29 148.22 22.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.907 0.883 . . . . 0.0 111.106 175.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.79 124.15 23.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.07 0.462 . . . . 0.0 111.296 164.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.54 -4.67 12.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.405 1.482 . . . . 0.0 113.876 166.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -122.33 -16.31 7.41 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.045 1.293 . . . . 0.0 114.12 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.274 17.0 p -124.73 -110.78 0.31 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.283 1.033 . . . . 0.0 110.992 155.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -169.52 -2.13 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.605 2.362 . . . . 0.0 115.561 -173.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -53.36 153.39 3.99 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.841 1.656 . . . . 0.0 112.507 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -108.64 149.0 29.55 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.362 1.065 . . . . 0.0 113.008 170.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -131.68 133.38 44.82 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.586 1.554 . . . . 0.0 110.63 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -72.31 124.14 24.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.496 1.119 . . . . 0.0 109.781 169.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -132.55 153.35 81.12 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 125.793 1.637 . . . . 0.0 111.581 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 147.03 70.45 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.699 1.599 . . . . 0.0 112.189 171.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -54.97 -17.97 4.43 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.194 1.398 . . . . 0.0 114.142 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.0 m -59.24 -26.28 64.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.345 1.458 . . . . 0.0 113.282 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -27.12 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 2.6 m -59.53 -29.88 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.891 0.769 . . . . 0.0 112.573 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -84.07 1.85 88.31 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.183 1.849 . . . . 0.0 115.005 173.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 27.6 t -123.96 -25.3 4.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.584 1.954 . . . . 0.0 113.132 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.546 0.81 0 O-C-N 121.263 -0.898 . . . . 0.0 109.152 166.686 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -83.28 134.34 34.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.903 1.681 . . . . 0.0 110.184 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -139.85 162.79 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.054 -1.029 . . . . 0.0 113.071 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.8 m -50.23 -42.1 51.11 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.322 1.049 . . . . 0.0 113.554 174.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 46.5 tpp -67.62 -22.26 65.35 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.122 1.328 . . . . 0.0 113.022 -177.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -13.15 49.93 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.467 1.507 . . . . 0.0 113.229 174.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.2 134.36 49.63 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.976 1.311 . . . . 0.0 112.908 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 49.3 m -56.59 -42.69 79.13 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.415 1.486 . . . . 0.0 113.74 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.54 98.51 10.17 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.037 0.935 . . . . 0.0 111.904 -173.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.55 -19.68 50.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.891 1.676 . . . . 0.0 113.696 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -65.67 -25.92 67.56 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.876 1.671 . . . . 0.0 113.527 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.05 5.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -172.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -79.7 40.69 0.46 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.59 2.756 . . . . 0.0 115.006 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -145.71 151.47 38.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.986 0.914 . . . . 0.0 110.685 163.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.2 -14.18 3.9 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 124.336 1.054 . . . . 0.0 112.099 165.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 48.8 m -94.75 -19.44 20.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.206 1.402 . . . . 0.0 113.036 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.71 175.88 8.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.703 0.801 . . . . 0.0 113.103 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 97.0 p -82.93 -168.03 1.9 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.567 2.347 . . . . 0.0 113.935 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -153.22 164.0 38.87 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.688 2.795 . . . . 0.0 109.247 169.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -68.35 -30.18 69.08 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.71 -1.244 . . . . 0.0 113.76 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.3 mtt -144.88 125.85 14.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.841 0.856 . . . . 0.0 110.97 175.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -62.5 159.99 14.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.59 -29.78 64.76 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -165.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.49 -3.91 59.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.264 1.826 . . . . 0.0 115.04 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -103.67 -37.13 7.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.02 1.728 . . . . 0.0 113.014 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.5 tp -63.72 -55.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.956 1.253 . . . . 0.0 110.638 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -53.95 -29.82 44.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.938 -1.101 . . . . 0.0 113.486 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.23 -34.81 78.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.884 1.674 . . . . 0.0 114.258 171.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -65.77 -37.14 85.51 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.001 0.819 . . . . 0.0 112.125 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.3 -28.86 47.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.102 0.961 . . . . 0.0 112.361 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.33 36.9 6.82 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.66 1.6 . . . . 0.0 113.547 178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 27.9 pt . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 126.201 1.8 . . . . 0.0 112.407 -168.648 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 121.31 0.576 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 124.464 1.106 . . . . 0.0 111.647 175.858 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 48.9 m -79.69 -5.71 55.71 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -82.71 56.71 3.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.701 2.0 . . . . 0.0 109.887 171.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -57.97 155.73 10.3 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.469 1.508 . . . . 0.0 113.123 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -67.42 156.93 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -165.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 56.1 p 56.72 177.34 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 128.117 2.567 . . . . 0.0 115.044 -172.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 8.1 p -159.18 156.05 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.827 1.651 . . . . 0.0 110.637 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -91.72 -141.4 9.88 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.464 1.03 . . . . 0.0 112.015 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 42.3 m -152.57 147.89 26.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.172 1.789 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 58.78 175.85 0.07 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.717 1.607 . . . . 0.0 115.164 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -103.43 -43.65 5.35 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.645 1.578 . . . . 0.0 111.766 170.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.12 -152.33 0.36 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 126.173 1.789 . . . . 0.0 112.436 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -73.75 -178.75 3.3 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.49 1.516 . . . . 0.0 112.307 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 46.9 m -45.35 136.08 5.62 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.857 1.663 . . . . 0.0 114.625 -173.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -120.59 -178.57 3.74 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.592 1.557 . . . . 0.0 112.807 -160.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . 0.432 ' HE1' ' CG2' ' B' ' 6' ' ' THR . 71.1 m95 -102.67 173.03 6.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.503 0.668 . . . . 0.0 111.472 160.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.98 143.15 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.293 1.437 . . . . 0.0 110.415 164.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.48 144.51 25.49 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.345 1.458 . . . . 0.0 110.887 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.99 125.61 27.33 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.15 0.5 . . . . 0.0 111.045 162.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -82.32 1.49 36.74 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 168.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -103.01 -28.67 11.86 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.178 -0.951 . . . . 0.0 112.519 174.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.262 16.5 p -121.46 -110.15 0.34 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.269 1.428 . . . . 0.0 110.632 159.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.61 -6.2 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.337 2.255 . . . . 0.0 115.888 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.55 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.1 tmmm? -47.91 149.92 1.24 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.957 2.103 . . . . 0.0 112.541 171.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.442 ' CE2' HCM1 ' B' ' 4' ' ' MLZ . 78.6 m95 -112.21 153.8 26.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.023 0.929 . . . . 0.0 113.374 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.98 138.6 30.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.961 1.304 . . . . 0.0 110.759 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -77.92 128.83 34.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.562 1.145 . . . . 0.0 109.751 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.54 155.1 81.9 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 125.494 1.518 . . . . 0.0 111.998 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -67.25 149.76 81.44 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 121.416 1.411 . . . . 0.0 110.68 164.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.01 46.62 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.1 m -62.46 -25.47 68.0 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.092 -1.005 . . . . 0.0 112.688 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.8 t -86.45 -38.8 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.829 0.852 . . . . 0.0 110.631 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -20.41 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.9 0.773 . . . . 0.0 112.753 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.12 -18.32 65.17 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.897 1.236 . . . . 0.0 114.269 170.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -89.57 -41.69 11.85 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 112.082 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.12 115.58 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 125.556 1.543 . . . . 0.0 109.043 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -89.21 173.11 8.59 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.22 1.408 . . . . 0.0 110.559 164.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -59.43 -35.83 74.74 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.431 -1.418 . . . . 0.0 111.566 170.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 21.6 t -74.22 -19.9 60.37 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 33.3 m -71.58 120.2 16.82 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.272 -0.893 . . . . 0.0 110.673 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -85.02 84.14 7.82 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.603 0.716 . . . . 0.0 111.239 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -82.35 131.72 35.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.149 174.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.9 pt -140.98 162.91 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.168 0.987 . . . . 0.0 112.09 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.55 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.8 m -50.18 -45.69 53.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -62.59 -26.0 68.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.755 1.161 . . . . 0.0 112.442 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -13.44 52.5 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.643 1.577 . . . . 0.0 113.49 176.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -54.58 137.95 42.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.009 1.324 . . . . 0.0 112.881 -172.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 68.7 m -55.36 -44.39 75.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.252 1.421 . . . . 0.0 113.83 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -91.02 102.66 15.43 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.536 1.134 . . . . 0.0 112.079 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -59.99 -19.31 51.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.944 1.698 . . . . 0.0 113.86 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -67.19 -24.03 65.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.725 1.61 . . . . 0.0 113.033 172.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -127.68 3.44 6.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.23 41.14 0.59 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.043 2.537 . . . . 0.0 114.94 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.55 150.96 33.07 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.103 1.361 . . . . 0.0 111.83 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.7 m -57.02 -21.52 31.6 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.674 1.59 . . . . 0.0 112.283 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 59.9 m -89.65 -17.55 28.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.381 1.472 . . . . 0.0 113.481 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.0 170.75 16.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.747 0.819 . . . . 0.0 113.098 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -83.31 -163.12 0.7 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.31 1.444 . . . . 0.0 112.457 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -149.25 166.26 29.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.256 1.823 . . . . 0.0 112.459 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -67.21 -30.14 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -153.94 130.65 10.78 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.744 1.618 . . . . 0.0 110.163 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -63.69 155.75 29.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.509 0.723 . . . . 0.0 111.318 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -59.33 -34.0 71.82 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -163.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -80.41 -11.6 59.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.439 1.496 . . . . 0.0 114.265 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -93.02 -44.57 8.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.588 1.555 . . . . 0.0 111.113 172.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . 0.439 ' CG1' HCM2 ' B' ' 4' ' ' MLZ . 2.5 tp -65.4 -53.53 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.441 0.564 . . . . 0.0 111.742 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -56.03 -29.74 60.87 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 120.359 -1.463 . . . . 0.0 113.41 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -70.5 -35.3 73.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.264 1.826 . . . . 0.0 114.321 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.87 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.484 1.113 . . . . 0.0 112.361 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.93 -34.78 51.12 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.815 0.846 . . . . 0.0 112.097 171.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.07 5.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.639 1.59 . . . . 0.0 113.168 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.1 pt -135.08 167.31 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.565 1.546 . . . . 0.0 113.488 -166.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -90.13 37.16 3.4 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.992 1.758 . . . . 0.0 115.37 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -70.05 160.38 32.09 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.763 1.282 . . . . 0.0 111.032 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 7.2 t70 73.51 -15.13 0.58 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.666 2.787 . . . . 0.0 115.363 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -56.56 -25.59 52.7 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.283 1.833 . . . . 0.0 113.703 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -50.85 -38.29 48.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.911 2.085 . . . . 0.0 114.474 170.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 59.01 7.23 0.78 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.468 1.907 . . . . 0.0 114.835 -167.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 C-N-CA 125.947 1.699 . . . . 0.0 113.254 -176.339 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.74 122.38 19.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.103 0.961 . . . . 0.0 110.448 171.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.9 t -156.53 -164.62 1.7 Allowed 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.981 0.809 . . . . 0.0 112.817 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.442 HCM1 ' CE2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -148.32 128.05 13.36 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.392 1.092 . . . . 0.0 113.608 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.432 ' CG2' ' HE1' ' A' ' 865' ' ' TRP . 0.9 OUTLIER -63.43 130.8 45.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.965 2.106 . . . . 0.0 114.415 -170.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.15 50.78 1.92 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.204 1.801 . . . . 0.0 112.036 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -140.96 102.19 4.21 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.539 1.936 . . . . 0.0 110.645 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.273 1.829 . . . . 0.0 112.564 174.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 59.9 p -152.65 -175.21 5.2 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.087 1.355 . . . . 0.0 111.838 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -68.1 -21.51 64.95 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -175.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.16 171.54 11.24 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.29 0.95 . . . . 0.0 112.381 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -147.38 167.27 24.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.532 1.533 . . . . 0.0 112.031 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 75.5 p -106.78 169.78 8.33 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.992 2.117 . . . . 0.0 113.379 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 7.1 p -156.31 154.77 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.201 1.8 . . . . 0.0 110.203 170.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -64.69 -42.19 97.34 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 123.746 0.689 . . . . 0.0 114.105 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 8.4 t 60.2 177.73 0.09 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.686 1.994 . . . . 0.0 114.209 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -140.02 144.77 37.09 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 127.104 2.162 . . . . 0.0 109.464 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -64.68 -60.03 3.58 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -168.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 17.3 m 56.54 -166.21 0.13 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.244 1.018 . . . . 0.0 110.893 -167.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -81.35 -33.29 32.53 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 119.335 -2.103 . . . . 0.0 112.556 168.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 94.5 p -149.45 154.45 38.85 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.985 2.114 . . . . 0.0 110.022 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -147.17 178.91 8.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.556 1.142 . . . . 0.0 111.053 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -97.08 175.38 6.33 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.9 -1.125 . . . . 0.0 114.014 170.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.3 p -151.45 143.19 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 127.068 2.147 . . . . 0.0 110.03 168.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -93.13 137.26 32.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.24 1.016 . . . . 0.0 111.526 171.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 123.35 19.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.963 0.905 . . . . 0.0 111.643 170.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.65 -16.42 60.93 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.076 1.351 . . . . 0.0 114.116 171.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -101.55 -15.77 16.99 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.719 1.145 . . . . 0.0 113.518 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . 0.404 ' HB2' ' H ' ' A' ' 872' ' ' PHE . 73.5 m -120.32 -106.39 0.37 Allowed 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.941 1.696 . . . . 0.0 111.535 176.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . 0.404 ' H ' ' HB2' ' A' ' 871' ' ' CYS . 52.3 p90 169.46 -18.88 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.983 1 C-N-CA 133.322 4.649 . . . . 0.0 108.967 -167.648 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.457 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -37.71 137.05 0.49 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.707 2.803 . . . . 0.0 111.825 167.501 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -103.11 155.27 18.52 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.461 1.104 . . . . 0.0 111.398 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -146.28 133.94 21.06 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.152 0.981 . . . . 0.0 110.88 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -84.95 108.78 17.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.393 1.477 . . . . 0.0 109.186 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 45.0 pt -110.94 156.04 41.45 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 128.287 2.635 . . . . 0.0 110.943 -174.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.97 147.58 80.44 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 121.186 1.257 . . . . 0.0 110.939 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.35 -21.78 16.68 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.2 m -62.61 -24.99 67.86 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.203 -0.936 . . . . 0.0 112.606 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.29 -38.37 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.172 0.989 . . . . 0.0 110.864 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -23.35 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.02 0.827 . . . . 0.0 112.586 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -80.35 -19.85 68.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.599 1.095 . . . . 0.0 114.292 172.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.8 t -88.33 -41.48 12.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.38 135.3 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.401 1.48 . . . . 0.0 110.496 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -146.51 179.98 7.16 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.784 1.634 . . . . 0.0 112.237 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.15 -26.83 61.2 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.718 1.207 . . . . 0.0 112.855 169.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 85.4 p -82.26 -13.74 56.57 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 37.0 m -80.18 164.25 23.43 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.09 1.356 . . . . 0.0 113.514 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -137.62 66.27 1.46 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.307 1.843 . . . . 0.0 110.283 173.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -72.28 130.53 41.0 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.935 0.894 . . . . 0.0 110.024 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.8 pt -140.35 163.71 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.846 0.858 . . . . 0.0 112.762 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.457 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 17.9 m -48.53 -44.01 35.91 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.022 0.929 . . . . 0.0 113.176 175.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.72 -24.59 67.75 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.941 1.246 . . . . 0.0 113.098 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -11.22 46.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.569 1.548 . . . . 0.0 113.506 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -53.55 137.18 37.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.168 1.387 . . . . 0.0 113.031 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.6 m -55.59 -44.86 77.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.082 1.353 . . . . 0.0 113.834 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.95 102.26 14.96 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.877 1.271 . . . . 0.0 112.086 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -60.74 -17.47 48.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.069 1.748 . . . . 0.0 114.006 -174.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.21 -23.25 66.4 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.555 1.542 . . . . 0.0 113.649 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -131.09 7.08 4.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 114.746 -173.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -86.56 42.01 0.98 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.109 2.163 . . . . 0.0 114.193 -167.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.13 146.21 36.74 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.942 1.297 . . . . 0.0 110.701 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.42 -16.55 37.01 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.299 1.04 . . . . 0.0 112.349 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.6 m -92.24 -16.72 25.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.441 1.497 . . . . 0.0 113.75 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 4.8 mmpt? -78.7 171.44 15.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 122.787 1.279 . . . . 0.0 113.862 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 98.2 p -78.88 -165.26 0.71 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 128.508 2.723 . . . . 0.0 112.571 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -147.16 173.46 12.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.802 1.641 . . . . 0.0 112.23 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -29.28 70.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.591 1.156 . . . . 0.0 113.228 -174.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 59.0 mtt -158.98 136.31 9.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.149 2.179 . . . . 0.0 110.091 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.4 m -62.2 154.75 26.47 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.109 1.322 . . . . 0.0 111.158 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -56.77 -35.69 68.96 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.627 -0.67 . . . . 0.0 112.652 -169.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.23 -11.27 59.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.278 1.431 . . . . 0.0 114.074 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -99.55 -37.97 8.95 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.711 1.605 . . . . 0.0 112.321 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -56.23 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 119.154 0.888 . . . . 0.0 111.416 173.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -51.4 -32.14 25.18 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 119.88 1.218 . . . . 0.0 113.671 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.29 -37.95 78.97 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.195 2.198 . . . . 0.0 114.355 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.37 -40.71 98.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.259 1.424 . . . . 0.0 112.72 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.6 mp -85.96 -24.43 26.52 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.543 0.737 . . . . 0.0 111.984 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.52 40.57 4.42 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.361 1.457 . . . . 0.0 113.184 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 46.2 pt -131.38 170.66 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.34 1.856 . . . . 0.0 111.972 -172.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -88.61 -24.38 33.42 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.055 0.836 . . . . 0.0 115.161 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 59.23 170.61 0.07 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.432 1.493 . . . . 0.0 112.669 -153.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -108.74 -23.21 11.88 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.19 -35.02 75.82 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . 62.9 -43.07 0.19 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 130.115 3.366 . . . . 0.0 115.69 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -81.74 4.17 22.94 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.573 1.949 . . . . 0.0 114.392 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.533 1.533 . . . . 0.0 113.321 177.31 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 119.272 -0.394 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 154.24 1.3 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.652 1.581 . . . . 0.0 114.286 -176.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -168.01 -159.16 0.28 Allowed 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -168.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -137.56 98.49 3.7 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -170.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -67.7 130.16 42.16 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.426 1.091 . . . . 0.0 112.88 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.43 17.14 13.83 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.356 1.463 . . . . 0.0 113.654 -176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.08 40.86 2.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.292 1.437 . . . . 0.0 113.407 -177.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.032 1.733 . . . . 0.0 112.278 176.56 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.434 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 14.8 m -70.04 -7.54 41.95 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -167.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -78.47 50.01 0.91 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.282 2.233 . . . . 0.0 111.106 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -70.49 -37.36 74.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.11 1.364 . . . . 0.0 113.725 -172.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 56.77 169.36 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.707 2.403 . . . . 0.0 115.322 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 67.6 p 25.51 -136.08 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.013 2.925 . . . . 0.0 118.164 160.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 34.4 m -137.05 164.76 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -148.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -155.27 128.19 2.23 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 127.853 2.644 . . . . 0.0 108.529 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 36.7 m -149.96 146.82 27.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.88 1.672 . . . . 0.0 110.381 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -76.96 132.73 39.18 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.515 -0.74 . . . . 0.0 111.919 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -137.02 -49.19 0.62 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.66 1.584 . . . . 0.0 111.655 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.27 134.13 16.82 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.237 1.415 . . . . 0.0 112.877 177.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 55.19 162.16 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.734 2.814 . . . . 0.0 118.306 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 69.4 m -50.46 134.62 23.49 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.446 1.498 . . . . 0.0 110.921 164.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -128.49 -174.13 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.909 1.284 . . . . 0.0 111.45 -152.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -104.94 172.58 6.71 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 169.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.8 p -147.55 144.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.503 1.921 . . . . 0.0 110.263 168.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -87.03 139.3 30.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.036 0.934 . . . . 0.0 110.816 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.46 126.01 29.22 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.344 0.657 . . . . 0.0 111.439 170.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -64.22 -29.62 70.71 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -85.23 -51.44 6.61 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.887 0.875 . . . . 0.0 111.185 -170.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.297 17.0 p -92.26 -104.09 0.11 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.328 0.651 . . . . 0.0 110.578 165.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -177.12 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.563 2.745 . . . . 0.0 114.243 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -45.73 150.53 0.51 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.135 2.174 . . . . 0.0 113.651 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.471 ' CH2' ' HE3' ' B' ' 4' ' ' MLZ . 77.8 m95 -95.1 148.58 22.21 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.277 0.631 . . . . 0.0 111.972 168.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -139.79 135.16 32.76 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 111.104 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -76.72 131.79 38.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.7 pt -136.17 157.91 74.71 Favored Pre-proline 0 N--CA 1.473 0.684 0 C-N-CA 127.01 2.124 . . . . 0.0 111.62 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -66.69 148.8 83.57 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 121.452 1.435 . . . . 0.0 111.164 165.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.17 -20.85 57.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.43 -25.2 68.17 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.266 -0.896 . . . . 0.0 112.689 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.99 -37.3 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.703 0.801 . . . . 0.0 110.479 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -17.99 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.134 0.879 . . . . 0.0 113.125 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.99 -19.69 62.54 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.552 1.072 . . . . 0.0 114.101 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -87.96 -45.55 10.13 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.006 1.323 . . . . 0.0 112.219 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp -78.83 118.88 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.428 1.491 . . . . 0.0 108.61 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -121.88 -159.0 0.8 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -49.35 -29.67 6.51 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.335 1.454 . . . . 0.0 113.277 169.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 78.5 p -134.36 -5.51 2.62 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 -169.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 50.8 m -57.73 172.3 0.39 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.511 1.524 . . . . 0.0 113.95 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -127.53 131.46 50.06 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 125.128 1.371 . . . . 0.0 112.104 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -143.8 134.72 25.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.748 2.019 . . . . 0.0 112.699 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 23.5 pt -141.09 162.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.598 1.159 . . . . 0.0 112.515 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 65.4 m -49.09 -43.76 41.51 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.003 0.921 . . . . 0.0 113.479 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.9 tpp -62.13 -25.25 67.63 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.349 1.431 . . . . 0.0 112.827 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -11.28 50.01 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.769 1.628 . . . . 0.0 113.747 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -52.69 135.44 35.05 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.487 1.515 . . . . 0.0 112.982 -173.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 50.9 m -52.79 -43.4 65.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.11 1.764 . . . . 0.0 114.091 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.93 105.56 17.91 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.112 0.965 . . . . 0.0 112.35 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -59.94 -16.11 27.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.298 1.839 . . . . 0.0 113.382 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.45 67.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.643 1.977 . . . . 0.0 112.542 171.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -139.78 21.17 2.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.39 1.476 . . . . 0.0 113.496 -173.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.56 41.01 1.04 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.886 1.674 . . . . 0.0 114.261 -172.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -147.13 146.75 30.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.791 1.636 . . . . 0.0 110.607 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 70.8 m -56.67 -26.02 55.35 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 121.574 -0.704 . . . . 0.0 111.62 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.6 m -83.66 -19.39 35.46 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.948 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -72.92 176.3 5.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.377 1.071 . . . . 0.0 113.303 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 10.0 t -80.52 -162.09 0.43 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.726 1.21 . . . . 0.0 112.023 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -150.57 163.74 37.72 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.438 1.895 . . . . 0.0 111.241 173.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.29 -31.16 72.24 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.8 mtt -154.3 131.68 11.23 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.757 1.623 . . . . 0.0 110.377 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.17 159.21 15.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 0.0 111.178 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.08 -29.53 70.66 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.037 -1.04 . . . . 0.0 112.289 -169.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -74.92 -7.36 53.33 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.379 1.472 . . . . 0.0 114.382 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -105.32 -43.63 4.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 111.025 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.38 7.7 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 120.01 -1.681 . . . . 0.0 112.918 156.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.98 -34.14 77.42 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.192 1.397 . . . . 0.0 113.867 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -63.23 -33.0 74.55 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.44 -27.68 15.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.049 0.94 . . . . 0.0 112.285 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 92.94 31.92 8.27 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.107 1.337 . . . . 0.0 113.107 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 48.8 pt -105.23 166.5 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.369 1.867 . . . . 0.0 112.062 -175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -99.91 27.45 20.2 Favored Glycine 0 N--CA 1.473 1.162 0 C-N-CA 125.549 1.547 . . . . 0.0 115.188 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.29 160.05 25.3 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -172.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 67.47 -8.32 0.49 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 128.478 2.711 . . . . 0.0 115.602 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 56.87 -62.94 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 1 C-N-CA 131.963 4.105 . . . . 0.0 115.855 167.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -68.89 -46.92 67.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.834 1.254 . . . . 0.0 110.595 164.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 22.2 t0 55.34 11.53 0.59 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.617 1.967 . . . . 0.0 114.699 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.305 1.842 . . . . 0.0 113.46 177.105 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -59.06 131.39 50.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.016 1.726 . . . . 0.0 110.746 175.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.5 t -153.58 -167.51 2.71 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 161.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.471 ' HE3' ' CH2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -143.44 106.43 4.51 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p -76.97 128.69 34.99 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.24 1.416 . . . . 0.0 112.588 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.87 41.96 0.52 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.547 1.539 . . . . 0.0 113.12 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -142.59 98.6 3.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.94 2.096 . . . . 0.0 109.857 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 38.6 t80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.208 1.403 . . . . 0.0 112.131 -174.335 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 23.0 t -64.96 153.38 40.72 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.062 0.945 . . . . 0.0 113.137 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 57.28 24.73 10.29 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 127.36 2.264 . . . . 0.0 115.573 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -18.68 62.17 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.781 1.232 . . . . 0.0 113.12 168.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -98.68 142.96 29.59 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 172.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 88.7 p -170.76 -178.85 2.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.231 3.012 . . . . 0.0 110.253 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.22 163.62 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 125.633 1.573 . . . . 0.0 111.894 172.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -89.41 -135.96 5.82 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.164 1.364 . . . . 0.0 112.974 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.8 t -102.2 166.63 10.48 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.584 1.554 . . . . 0.0 112.705 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -94.87 0.08 54.48 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.376 1.47 . . . . 0.0 114.91 171.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -76.1 -50.68 14.01 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 127.506 2.322 . . . . 0.0 112.555 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 1.7 m -64.95 153.5 40.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.594 1.558 . . . . 0.0 112.626 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -159.29 0.12 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.1 0.96 . . . . 0.0 111.906 172.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 82.2 p -46.63 135.21 8.9 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.241 1.416 . . . . 0.0 113.805 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.44 -175.93 3.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.198 1.399 . . . . 0.0 111.128 -165.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -105.61 176.67 5.09 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.49 -0.756 . . . . 0.0 112.599 171.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.86 140.04 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 110.746 165.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 16.8 ttt85 -93.02 140.17 29.76 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.895 1.278 . . . . 0.0 110.231 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.8 t -68.42 128.37 36.35 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.908 0.883 . . . . 0.0 112.981 172.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.1 -13.91 62.42 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 169.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -99.54 -27.2 13.82 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.59 1.086 . . . . 0.0 112.793 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 16.6 p -123.74 -103.2 0.38 Allowed 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 124.819 1.248 . . . . 0.0 111.867 165.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -175.08 -11.13 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.195 2.598 . . . . 0.0 114.509 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.51 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 1.8 tmmm? -48.1 146.94 2.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.854 2.062 . . . . 0.0 112.85 175.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.54 ' CH2' ' HE3' ' B' ' 4' ' ' MLZ . 89.5 m95 -102.59 151.14 22.68 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.057 0.943 . . . . 0.0 113.232 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.58 135.38 28.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.997 1.319 . . . . 0.0 110.58 174.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -76.52 127.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.833 1.253 . . . . 0.0 109.639 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 36.6 pt -131.04 153.96 81.9 Favored Pre-proline 0 N--CA 1.471 0.622 0 C-N-CA 125.971 1.708 . . . . 0.0 111.667 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -67.88 150.81 78.59 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.231 1.287 . . . . 0.0 110.533 165.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.89 -22.78 27.52 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -60.58 -28.8 68.76 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.742 1.217 . . . . 0.0 112.563 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 89.3 t -86.63 -38.46 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -19.47 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.115 0.871 . . . . 0.0 112.887 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.12 -23.26 38.48 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 125.13 1.348 . . . . 0.0 114.436 169.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.7 t -80.74 -37.87 29.73 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.786 1.235 . . . . 0.0 112.174 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.91 120.74 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.733 1.613 . . . . 0.0 107.486 169.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.09 171.04 12.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.798 1.239 . . . . 0.0 111.869 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -55.56 -22.99 24.36 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.107 1.363 . . . . 0.0 113.933 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 88.7 p -118.56 3.36 11.77 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.399 1.88 . . . . 0.0 114.691 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 44.3 m -66.54 129.97 41.62 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.726 1.148 . . . . 0.0 112.859 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.51 76.21 9.38 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.299 1.44 . . . . 0.0 111.796 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -77.51 132.39 38.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.426 0.691 . . . . 0.0 109.672 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.7 pt -139.68 162.1 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.844 0.857 . . . . 0.0 112.852 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.51 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.5 m -49.88 -41.88 46.51 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.489 1.116 . . . . 0.0 113.964 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.01 -31.52 70.01 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.918 1.236 . . . . 0.0 112.214 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -11.37 57.12 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.922 1.689 . . . . 0.0 113.382 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -53.31 138.0 33.58 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.201 1.4 . . . . 0.0 113.011 -172.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -53.13 -43.65 67.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.263 1.425 . . . . 0.0 114.172 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.37 103.99 15.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.983 1.313 . . . . 0.0 111.692 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.74 -20.94 59.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.653 1.581 . . . . 0.0 113.611 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -67.2 -23.76 65.78 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.882 1.673 . . . . 0.0 114.018 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -124.85 5.29 8.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.321 1.448 . . . . 0.0 114.359 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.95 41.37 0.74 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.785 2.434 . . . . 0.0 114.706 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.11 152.89 36.93 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.217 1.007 . . . . 0.0 111.895 164.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 65.3 m -56.41 -19.02 13.0 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.284 1.833 . . . . 0.0 112.274 171.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.9 m -89.32 -20.45 24.03 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.716 1.606 . . . . 0.0 112.383 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -80.93 173.5 12.55 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.392 1.091 . . . . 0.0 113.426 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 90.5 p -82.48 -166.67 1.34 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.582 2.353 . . . . 0.0 113.339 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -149.01 166.18 29.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.827 2.051 . . . . 0.0 110.932 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.37 -33.62 76.28 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 25.0 mmt -150.37 131.94 14.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.92 1.688 . . . . 0.0 111.169 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.2 m -62.2 160.93 12.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.106 0.963 . . . . 0.0 111.381 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -22.89 63.21 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.76 -1.212 . . . . 0.0 112.37 -167.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.45 -19.19 62.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.079 1.351 . . . . 0.0 113.483 168.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -97.41 -45.06 6.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.254 1.421 . . . . 0.0 111.72 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.287 1.4 tp -79.2 15.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.699 1.741 . . . . 0.0 115.699 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.9 p30 -106.43 -34.99 7.24 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.513 -1.367 . . . . 0.0 112.916 154.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -68.24 -32.59 72.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.455 . . . . 0.0 113.956 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -61.12 -30.26 70.27 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.945 0.898 . . . . 0.0 112.506 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.55 -33.72 10.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.358 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.74 40.38 4.41 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.137 1.351 . . . . 0.0 112.862 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 45.2 pt -115.92 168.54 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.264 1.826 . . . . 0.0 112.265 -174.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -92.94 -7.85 62.29 Favored Glycine 0 N--CA 1.473 1.11 0 N-CA-C 116.997 1.559 . . . . 0.0 116.997 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . 0.432 ' C ' ' H ' ' A' ' 925' ' ' GLU . 6.3 tt0 -58.63 142.15 50.33 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.062 0.934 . . . . 0.0 113.372 -169.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 59.47 -3.74 0.1 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.856 2.862 . . . . 0.0 116.674 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 923' ' ' GLN . 50.0 mt-10 61.77 -44.72 0.15 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 131.459 3.904 . . . . 0.0 117.643 168.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -142.68 -44.19 0.31 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.502 1.521 . . . . 0.0 113.628 -168.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 19.8 t0 58.23 11.41 1.56 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.646 1.578 . . . . 0.0 114.505 -168.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.374 0 C-N-CA 126.023 1.729 . . . . 0.0 113.446 176.792 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 118.825 -0.607 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 155.19 7.41 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.054 0.942 . . . . 0.0 112.187 -171.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.9 t -158.74 -164.22 1.4 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -169.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.54 ' HE3' ' CH2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -112.39 95.02 5.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.6 1.16 . . . . 0.0 110.643 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.71 134.34 56.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.451 1.5 . . . . 0.0 114.472 -170.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.81 17.36 16.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.226 1.81 . . . . 0.0 113.227 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.16 120.03 14.36 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 127.462 2.305 . . . . 0.0 108.155 -176.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.53 2.332 . . . . 0.0 112.27 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 17.7 m -76.64 47.24 0.48 Allowed 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.09 1.756 . . . . 0.0 115.038 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -61.88 -14.86 37.82 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.641 1.577 . . . . 0.0 114.469 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -61.36 -35.89 78.71 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.517 1.527 . . . . 0.0 112.634 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -91.39 149.98 21.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.031 0.933 . . . . 0.0 113.012 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 90.6 p -174.73 176.65 2.22 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.186 2.195 . . . . 0.0 111.568 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.2 m -62.23 170.55 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.744 1.618 . . . . 0.0 113.198 168.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -78.84 -138.61 1.49 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.72 1.153 . . . . 0.0 112.09 170.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 83.8 p -158.54 165.81 33.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.131 1.373 . . . . 0.0 112.866 -173.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.2 152.25 46.08 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.648 -0.657 . . . . 0.0 110.715 163.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -53.49 -48.01 69.33 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.384 1.073 . . . . 0.0 113.752 -162.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 861' ' ' THR . . . . . 0.421 ' CG2' ' H ' ' A' ' 862' ' ' GLU . 17.4 m 58.34 -167.46 0.14 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.315 1.046 . . . . 0.0 111.385 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . 0.421 ' H ' ' CG2' ' A' ' 861' ' ' THR . 16.3 tt0 -76.82 169.64 17.93 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 119.602 -1.936 . . . . 0.0 111.118 158.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 45.3 m -51.99 136.23 29.34 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.553 1.541 . . . . 0.0 113.453 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -142.84 176.95 8.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.992 0.917 . . . . 0.0 112.671 -159.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -88.2 170.41 11.05 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.766 -1.209 . . . . 0.0 113.713 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.22 142.64 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 109.39 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -89.66 142.2 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.227 1.411 . . . . 0.0 111.534 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 53.3 t -67.1 122.78 18.56 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.254 0.622 . . . . 0.0 111.512 165.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.52 -11.88 61.09 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -97.74 -28.21 13.99 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.426 1.012 . . . . 0.0 113.023 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.296 12.1 p -127.53 -96.76 0.41 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.645 1.178 . . . . 0.0 112.129 170.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -165.84 -17.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.141 2.176 . . . . 0.0 114.133 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.13 134.32 0.82 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.047 2.139 . . . . 0.0 113.383 -175.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.5 ' CD2' HCM3 ' B' ' 4' ' ' MLZ . 67.4 m95 -102.74 147.69 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.677 0.791 . . . . 0.0 111.247 -176.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -144.67 137.2 26.45 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.44 1.496 . . . . 0.0 110.335 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.69 119.36 25.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.4 1.08 . . . . 0.0 109.592 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.1 pt -121.34 158.15 54.12 Favored Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 127.692 2.397 . . . . 0.0 110.554 -173.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.22 147.66 73.03 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 120.863 1.042 . . . . 0.0 111.819 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -48.94 -30.99 6.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.988 1.715 . . . . 0.0 114.644 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.6 m -58.23 -27.59 64.08 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.07 1.348 . . . . 0.0 112.844 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 6.2 t -97.73 -30.72 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.308 -0.854 . . . . 0.0 111.933 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -26.22 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 120.19 1.359 . . . . 0.0 112.594 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.59 -15.91 69.78 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 124.49 1.043 . . . . 0.0 114.979 170.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 31.1 t -90.0 -38.22 13.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.491 1.516 . . . . 0.0 112.303 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 7.7 mt -59.27 144.43 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.381 1.472 . . . . 0.0 110.055 166.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -170.17 176.82 4.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.337 1.455 . . . . 0.0 112.234 -173.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.24 -27.54 69.12 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.222 1.009 . . . . 0.0 112.719 169.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 88.1 p -80.1 -20.04 45.99 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.204 1.001 . . . . 0.0 113.005 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 10.5 t -85.36 -179.64 7.0 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.549 1.539 . . . . 0.0 111.328 170.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -149.79 99.96 2.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.819 1.247 . . . . 0.0 110.144 168.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -88.36 128.8 35.51 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.9 163.48 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.974 0.91 . . . . 0.0 111.934 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 60.0 m -49.26 -45.24 44.53 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -20.6 66.57 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.774 1.17 . . . . 0.0 112.954 -175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -12.37 42.74 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.016 1.726 . . . . 0.0 113.28 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.92 133.27 43.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.845 1.258 . . . . 0.0 112.485 -173.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 5.7 m -58.1 -38.75 77.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 113.279 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -87.83 96.16 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.297 1.046 . . . . 0.0 110.987 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.51 -16.61 38.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.393 1.877 . . . . 0.0 113.865 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -67.98 -23.7 65.06 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.393 1.877 . . . . 0.0 113.407 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.84 14.7 4.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.339 1.456 . . . . 0.0 113.14 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.47 38.44 0.9 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.489 1.916 . . . . 0.0 114.251 -167.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.34 147.6 33.67 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.42 1.488 . . . . 0.0 110.415 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.5 -18.28 27.81 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 124.46 1.104 . . . . 0.0 112.349 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 23.8 m -88.75 -22.03 23.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.934 1.694 . . . . 0.0 112.971 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -77.65 173.15 12.36 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.618 1.199 . . . . 0.0 113.421 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 95.6 p -83.25 -169.5 2.57 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.227 2.611 . . . . 0.0 112.813 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -147.44 170.09 18.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.422 1.889 . . . . 0.0 111.191 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -33.84 64.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.416 1.086 . . . . 0.0 113.668 -176.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.6 mtt -152.6 135.86 15.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.246 1.419 . . . . 0.0 111.174 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.7 m -61.31 155.12 22.02 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.256 0.934 . . . . 0.0 110.677 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.82 -36.75 72.68 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.857 0.463 . . . . 0.0 112.126 -161.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.34 -12.6 59.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.876 1.671 . . . . 0.0 114.485 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -90.73 -39.76 12.24 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.477 1.111 . . . . 0.0 111.888 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.254 1.9 tp -69.19 -55.14 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.19 0.904 . . . . 0.0 111.779 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -55.6 -28.13 53.37 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.036 -1.665 . . . . 0.0 114.041 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -63.6 -34.27 77.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.065 1.746 . . . . 0.0 114.422 169.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.98 -37.33 85.68 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.306 1.443 . . . . 0.0 112.286 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.14 -28.55 54.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.508 1.123 . . . . 0.0 112.77 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.14 35.31 7.65 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.913 1.72 . . . . 0.0 114.555 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt -143.19 177.44 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 127.288 2.235 . . . . 0.0 111.295 -169.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -95.65 -147.06 22.04 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.23 0.919 . . . . 0.0 110.945 162.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -154.42 168.66 25.91 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.81 2.044 . . . . 0.0 110.061 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -67.79 -32.4 72.94 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -68.53 -37.8 80.31 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.808 0.843 . . . . 0.0 112.695 174.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -71.7 -46.75 57.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.865 1.266 . . . . 0.0 112.614 175.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 26.1 t0 55.83 15.84 1.82 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.136 1.775 . . . . 0.0 114.074 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.717 2.007 . . . . 0.0 112.44 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 46.9 30.31 1.2 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.342 2.257 . . . . 0.0 115.381 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.4 t -96.83 -167.71 1.6 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 119.299 -2.126 . . . . 0.0 112.437 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.5 HCM3 ' CD2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -88.03 -47.41 8.54 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -162.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.5 m 60.59 -52.33 0.09 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 128.778 2.831 . . . . 0.0 117.253 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.16 -61.93 0.06 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.366 2.667 . . . . 0.0 114.922 -167.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 48.35 62.92 2.29 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.419 1.888 . . . . 0.0 111.257 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 t80 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 125.631 1.572 . . . . 0.0 112.617 177.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 112.181 -0.368 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 59.9 p -154.5 -176.89 6.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.224 1.41 . . . . 0.0 111.772 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -70.94 -8.08 50.58 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.178 1.391 . . . . 0.0 114.572 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 171.47 16.3 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.469 1.507 . . . . 0.0 113.159 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 74.35 149.89 0.11 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.591 2.757 . . . . 0.0 117.356 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 77.9 p -162.8 179.79 7.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 128.896 2.878 . . . . 0.0 110.274 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.93 162.13 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.059 0.944 . . . . 0.0 113.367 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -161.53 -133.67 1.52 Allowed Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.51 1.528 . . . . 0.0 111.786 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 34.8 m -146.24 146.03 30.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.466 1.507 . . . . 0.0 112.703 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -120.1 8.7 11.0 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 123.435 1.588 . . . . 0.0 114.744 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.15 -25.19 3.87 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 128.289 2.635 . . . . 0.0 114.601 -164.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 2.9 p -57.15 173.31 0.24 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.558 2.743 . . . . 0.0 114.771 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.01 173.65 0.6 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.63 1.572 . . . . 0.0 112.754 172.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 p -48.4 135.26 14.16 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.775 1.23 . . . . 0.0 112.174 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -140.92 -175.55 4.35 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.316 0.646 . . . . 0.0 112.002 -162.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -97.72 174.7 6.48 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.94 148.66 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.958 2.103 . . . . 0.0 109.671 168.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 22.8 ttt85 -105.26 127.51 52.98 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.252 1.421 . . . . 0.0 110.363 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -62.32 128.15 34.69 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.947 0.899 . . . . 0.0 112.496 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.91 -18.97 62.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -92.67 -20.28 20.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.74 1.216 . . . . 0.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . 0.405 ' HB2' ' H ' ' A' ' 872' ' ' PHE . 64.3 m -119.31 -105.64 0.39 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.961 1.705 . . . . 0.0 110.879 174.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . 0.405 ' H ' ' HB2' ' A' ' 871' ' ' CYS . 54.1 p90 168.03 -15.58 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 1 C-N-CA 133.665 4.786 . . . . 0.0 109.024 -171.769 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.441 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -34.62 136.03 0.16 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.889 2.876 . . . . 0.0 112.134 167.683 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.45 ' CZ3' ' HE3' ' B' ' 4' ' ' MLZ . 89.1 m95 -95.75 148.2 22.82 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.709 0.803 . . . . 0.0 111.692 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -146.41 129.05 16.12 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.796 0.838 . . . . 0.0 112.352 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 120.62 18.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.219 2.207 . . . . 0.0 109.335 168.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.6 157.87 76.34 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.355 2.262 . . . . 0.0 111.311 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -72.12 146.79 47.13 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 121.789 1.659 . . . . 0.0 112.341 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.41 -21.78 27.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 72.0 p -58.61 -24.91 62.0 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.183 -0.948 . . . . 0.0 112.799 170.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.4 t -96.92 -35.31 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.487 1.515 . . . . 0.0 111.769 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 2.3 m -61.66 -29.08 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.203 -0.935 . . . . 0.0 112.478 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -79.99 -15.34 79.18 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.217 1.389 . . . . 0.0 114.537 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 17.9 t -94.54 -34.83 12.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.375 1.47 . . . . 0.0 112.708 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.52 129.33 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 110.568 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -131.2 174.67 9.8 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.487 2.315 . . . . 0.0 111.892 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -59.7 -29.31 68.02 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.482 -1.387 . . . . 0.0 112.919 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 80.2 p -79.0 -10.41 59.82 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.546 1.538 . . . . 0.0 114.275 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 68.1 m -76.49 167.41 21.89 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.679 1.191 . . . . 0.0 112.832 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -131.39 62.12 1.63 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.97 1.708 . . . . 0.0 111.379 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -74.91 130.55 39.6 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 110.392 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.0 pt -139.25 162.78 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.509 0.724 . . . . 0.0 112.776 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.441 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 18.5 m -49.13 -44.36 42.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.77 0.828 . . . . 0.0 112.829 174.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 67.6 mtm -66.57 -11.44 53.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.914 1.233 . . . . 0.0 114.115 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -9.37 23.31 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.022 1.729 . . . . 0.0 113.37 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.78 136.49 33.59 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.944 1.698 . . . . 0.0 113.204 -173.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 21.6 m -54.76 -44.97 74.11 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.21 1.404 . . . . 0.0 113.941 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -92.13 104.94 17.27 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.257 1.027 . . . . 0.0 112.289 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.13 -14.67 39.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.921 2.088 . . . . 0.0 114.082 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -63.98 -27.12 68.91 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.233 1.413 . . . . 0.0 112.624 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -135.88 18.93 3.25 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.465 1.106 . . . . 0.0 113.464 -171.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -93.81 42.96 1.1 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.494 1.917 . . . . 0.0 114.775 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -144.09 149.27 36.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.69 1.196 . . . . 0.0 110.121 164.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.69 -10.68 9.13 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.204 1.001 . . . . 0.0 112.549 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 41.1 m -91.97 -21.21 20.66 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.374 1.47 . . . . 0.0 113.154 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -77.25 171.7 14.43 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.254 1.022 . . . . 0.0 113.319 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 11.6 t -94.79 -154.11 0.41 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.039 1.735 . . . . 0.0 111.324 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.99 164.22 35.23 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.123 2.169 . . . . 0.0 111.076 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -66.4 -25.47 66.78 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -147.41 131.48 17.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.698 1.199 . . . . 0.0 110.695 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.2 m -62.79 160.12 15.1 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.975 0.807 . . . . 0.0 111.36 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -56.56 -36.17 68.98 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.325 -0.859 . . . . 0.0 112.565 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -80.1 1.11 29.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.315 1.846 . . . . 0.0 114.595 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -112.92 -38.75 4.43 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.002 2.121 . . . . 0.0 111.629 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.6 tp -67.86 -53.91 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.721 0.691 . . . . 0.0 111.151 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -52.45 -29.45 24.64 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 120.59 -1.319 . . . . 0.0 114.009 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -64.64 -32.65 74.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.287 2.235 . . . . 0.0 114.504 171.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -64.91 -42.34 94.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.981 1.313 . . . . 0.0 111.826 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.8 mp -82.78 -32.33 27.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.686 0.795 . . . . 0.0 112.111 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.47 44.95 4.48 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.383 1.468 . . . . 0.0 112.843 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt -125.77 166.85 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.974 1.71 . . . . 0.0 112.814 -171.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -124.05 92.89 0.45 Allowed Glycine 0 CA--C 1.529 0.952 0 C-N-CA 126.038 1.78 . . . . 0.0 111.041 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -69.47 159.47 33.21 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.045 0.938 . . . . 0.0 113.455 -174.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -63.78 -29.07 70.31 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.387 1.075 . . . . 0.0 112.684 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -67.91 -41.79 82.13 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.293 1.837 . . . . 0.0 112.938 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -75.03 -44.24 49.0 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.114 1.366 . . . . 0.0 113.024 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . 0.299 1.7 p30 56.11 3.01 0.09 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.874 2.87 . . . . 0.0 116.348 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.306 0 C-N-CA 126.343 1.857 . . . . 0.0 113.487 174.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 155.6 4.57 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.88 1.272 . . . . 0.0 113.362 -175.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t -156.63 -165.0 1.77 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.45 ' HE3' ' CZ3' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -122.94 94.09 4.16 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.79 1.236 . . . . 0.0 111.917 -170.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.21 133.11 55.6 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.304 1.042 . . . . 0.0 111.641 174.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.39 24.34 0.8 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.49 1.116 . . . . 0.0 113.32 -174.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 -78.81 71.32 5.26 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.668 1.587 . . . . 0.0 112.109 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.302 1.441 . . . . 0.0 113.704 175.493 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.508 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 82.6 p -149.38 -179.93 7.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.079 0.952 . . . . 0.0 113.444 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? 59.07 31.36 21.25 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 126.783 2.033 . . . . 0.0 112.884 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -85.7 161.97 18.97 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.315 2.246 . . . . 0.0 113.359 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 59.2 169.53 0.07 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 128.007 2.523 . . . . 0.0 116.182 171.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 31.4 p -79.49 156.67 27.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.619 1.168 . . . . 0.0 113.256 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . 0.271 19.3 m 53.06 167.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 C-N-CA 130.003 3.321 . . . . 0.0 116.453 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 169.77 126.82 0.88 Allowed Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.467 1.508 . . . . 0.0 111.246 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 9.9 t -156.39 177.46 11.43 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.508 1.523 . . . . 0.0 111.765 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -72.43 169.35 16.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.262 1.025 . . . . 0.0 111.765 167.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -153.74 122.81 6.47 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.886 2.075 . . . . 0.0 106.641 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 1.4 p -65.55 148.26 52.03 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.315 -2.22 . . . . 0.0 111.791 160.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 58.69 157.94 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.266 1.826 . . . . 0.0 114.531 -167.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 89.8 p -49.74 135.46 19.08 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.546 1.139 . . . . 0.0 113.344 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -137.74 173.62 11.45 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.667 1.187 . . . . 0.0 110.675 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -88.49 175.5 7.56 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.672 -1.267 . . . . 0.0 112.821 169.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -149.39 144.65 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.669 1.987 . . . . 0.0 110.539 165.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.61 142.78 28.85 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.731 1.212 . . . . 0.0 111.726 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.5 122.33 21.12 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.967 0.413 . . . . 0.0 110.021 158.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.51 -21.98 64.55 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -84.36 -44.42 13.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.899 0.88 . . . . 0.0 110.539 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 65.8 m -86.8 -112.26 0.05 Allowed 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 125.345 1.458 . . . . 0.0 110.796 169.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 15.3 p90 172.9 -12.19 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.035 1 C-N-CA 132.488 4.315 . . . . 0.0 110.485 -174.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.439 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 10.7 ttpt -40.57 150.77 0.06 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.301 2.641 . . . . 0.0 113.582 165.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -110.99 152.93 26.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 112.695 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -141.07 138.05 33.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.77 1.628 . . . . 0.0 110.44 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -79.24 128.66 33.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.81 1.244 . . . . 0.0 110.26 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 40.0 pt -134.35 160.26 69.16 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.729 2.011 . . . . 0.0 112.05 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -69.51 149.43 68.45 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 121.617 1.545 . . . . 0.0 111.824 165.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -52.45 -27.23 15.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.211 1.404 . . . . 0.0 114.517 173.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.7 m -60.27 -27.33 67.17 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.933 1.293 . . . . 0.0 112.477 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.26 -38.51 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.478 1.111 . . . . 0.0 110.904 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -22.03 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.109 0.868 . . . . 0.0 112.833 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.29 -19.36 64.72 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.822 1.201 . . . . 0.0 114.25 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.3 t -88.24 -42.56 12.19 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.994 1.317 . . . . 0.0 112.14 175.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.19 136.77 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.442 1.497 . . . . 0.0 110.941 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -149.49 -179.72 7.3 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.196 1.799 . . . . 0.0 111.205 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.65 -9.28 41.88 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.471 -1.393 . . . . 0.0 113.632 170.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 90.8 p -86.53 -12.84 47.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.12 0.968 . . . . 0.0 113.383 167.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 14.9 m -88.17 170.6 10.9 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.323 1.849 . . . . 0.0 112.685 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.82 77.99 1.74 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.292 1.437 . . . . 0.0 110.369 171.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -84.72 132.48 34.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.274 0.629 . . . . 0.0 110.222 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -143.78 166.62 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.78 0.832 . . . . 0.0 112.479 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.439 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 34.4 m -48.32 -42.46 31.27 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.246 -0.909 . . . . 0.0 113.377 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.29 -24.13 66.19 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.646 1.112 . . . . 0.0 113.227 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 4.11 45.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -57.76 142.8 44.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.406 1.482 . . . . 0.0 112.73 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 70.8 m -57.85 -45.67 85.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.513 1.525 . . . . 0.0 113.94 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.42 106.41 18.48 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.818 1.247 . . . . 0.0 111.846 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.91 -23.06 60.81 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.404 1.482 . . . . 0.0 113.419 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -65.79 -22.19 66.55 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.99 1.716 . . . . 0.0 114.184 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -129.63 10.85 5.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.686 1.595 . . . . 0.0 114.026 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.22 41.37 1.03 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.361 1.864 . . . . 0.0 114.346 -170.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -142.7 146.78 34.72 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.056 1.342 . . . . 0.0 110.975 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.33 -21.51 59.88 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.55 0.74 . . . . 0.0 111.961 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.1 m -86.38 -18.37 32.0 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.475 1.51 . . . . 0.0 113.929 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . 0.404 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 5.0 mmpt? -76.67 174.7 10.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.683 1.193 . . . . 0.0 113.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.0 t -90.93 -158.76 0.57 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.214 1.406 . . . . 0.0 112.356 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -150.99 168.52 24.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.889 2.476 . . . . 0.0 110.365 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.9 -36.88 85.79 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.036 -1.04 . . . . 0.0 112.718 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 23.6 mmt -150.03 129.84 13.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.792 1.637 . . . . 0.0 110.421 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.7 p -60.9 160.46 9.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.214 1.006 . . . . 0.0 112.628 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -61.59 -23.42 66.0 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -165.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -87.19 -5.43 58.98 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.661 1.985 . . . . 0.0 114.126 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -113.23 -33.0 6.11 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.59 1.956 . . . . 0.0 113.149 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.03 -57.09 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.653 1.115 . . . . 0.0 110.711 168.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -52.85 -29.2 26.64 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -66.09 -32.98 74.77 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.307 1.843 . . . . 0.0 114.44 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.75 -34.28 77.81 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.26 1.024 . . . . 0.0 112.274 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.1 mp -86.48 -37.86 17.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.761 0.824 . . . . 0.0 112.321 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.58 44.27 4.96 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.682 1.611 . . . . 0.0 112.878 -175.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 40.5 pt -120.1 163.41 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.454 1.501 . . . . 0.0 113.549 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -107.23 58.32 0.42 Allowed Glycine 0 CA--C 1.532 1.141 0 C-N-CA 126.155 1.836 . . . . 0.0 114.098 -170.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 166.76 14.36 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 122.005 0.907 . . . . 0.0 112.916 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -73.21 -23.04 60.33 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.167 1.387 . . . . 0.0 113.37 171.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 66.28 -53.93 0.41 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 129.603 3.161 . . . . 0.0 114.46 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -151.9 -83.14 0.09 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.061 1.344 . . . . 0.0 111.013 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 32.1 t0 48.64 31.86 3.21 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.268 1.427 . . . . 0.0 113.587 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.317 0 C-N-CA 125.472 1.509 . . . . 0.0 113.255 178.345 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -63.25 169.62 3.45 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 112.033 163.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -155.67 -156.84 0.68 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.578 0.751 . . . . 0.0 111.192 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.83 115.05 13.22 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.215 1.406 . . . . 0.0 110.781 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -70.78 128.89 37.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.744 1.218 . . . . 0.0 112.1 175.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.54 16.67 13.12 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.605 1.562 . . . . 0.0 113.404 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -150.01 118.2 6.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.042 2.137 . . . . 0.0 108.808 -172.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 . . . . . 0 C--O 1.251 1.162 0 C-N-CA 127.412 2.285 . . . . 0.0 112.552 -175.353 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 44.9 t 64.3 162.55 0.12 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.668 1.987 . . . . 0.0 113.858 -168.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -85.77 19.73 2.4 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.936 1.695 . . . . 0.0 113.589 -170.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -57.86 145.88 33.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.954 1.702 . . . . 0.0 112.717 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -149.53 164.46 35.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.295 1.838 . . . . 0.0 111.147 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 72.7 p 47.74 -145.8 0.28 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.629 1.972 . . . . 0.0 113.94 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.2 m -142.62 161.81 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.152 1.781 . . . . 0.0 111.942 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -121.99 -141.64 6.1 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.571 1.558 . . . . 0.0 111.441 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 96.0 p -160.06 168.16 26.2 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.13 1.772 . . . . 0.0 112.077 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -142.95 125.9 16.22 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.813 1.245 . . . . 0.0 111.029 169.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -147.27 -57.04 0.25 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.876 1.67 . . . . 0.0 112.107 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 5.3 p -155.68 160.55 40.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.889 1.276 . . . . 0.0 114.12 -164.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 64.17 156.08 0.07 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.031 2.532 . . . . 0.0 116.357 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 m -54.77 132.4 45.91 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.191 1.396 . . . . 0.0 111.364 167.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -134.93 -177.09 4.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.6 0.76 . . . . 0.0 111.225 -158.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -91.71 173.06 8.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.998 -1.064 . . . . 0.0 113.258 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.16 144.45 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.31 1.844 . . . . 0.0 109.23 166.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 5.0 ttp-105 -86.61 147.08 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 172.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.98 119.01 14.48 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.488 0.661 . . . . 0.0 110.447 159.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -68.53 -4.59 15.69 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.606 1.562 . . . . 0.0 114.93 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -106.97 -29.68 9.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.941 0.897 . . . . 0.0 112.634 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.81 -114.54 0.18 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 126.051 1.74 . . . . 0.0 110.3 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -179.74 -12.37 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.116 1 C-N-CA 131.973 4.109 . . . . 0.0 110.557 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.405 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 8.9 ttpt -39.15 147.64 0.06 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.197 2.199 . . . . 0.0 113.687 166.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.469 ' CZ3' ' HE3' ' B' ' 4' ' ' MLZ . 68.0 m95 -111.07 150.4 29.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.261 1.024 . . . . 0.0 112.485 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -143.68 136.1 27.01 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.736 1.614 . . . . 0.0 110.098 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -76.43 131.47 39.1 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.839 0.856 . . . . 0.0 109.751 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 31.1 pt -135.85 157.84 75.21 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 126.435 1.894 . . . . 0.0 111.151 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.53 146.01 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.637 1.558 . . . . 0.0 112.266 171.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.35 -19.96 16.97 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.307 1.443 . . . . 0.0 114.495 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -58.93 -27.22 65.09 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.903 -1.123 . . . . 0.0 112.707 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.09 -32.7 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.464 1.506 . . . . 0.0 111.998 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.65 -29.73 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.182 -0.949 . . . . 0.0 112.356 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.92 -15.77 74.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.217 1.389 . . . . 0.0 114.429 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 26.9 t -90.56 -33.33 15.94 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.43 1.492 . . . . 0.0 112.757 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -77.45 112.55 15.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 122.151 0.977 . . . . 0.0 110.759 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -84.83 168.41 15.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.978 2.111 . . . . 0.0 114.043 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -65.32 -33.51 76.14 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.476 -1.39 . . . . 0.0 112.986 174.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 81.2 p -93.36 12.32 25.2 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.655 1.982 . . . . 0.0 113.438 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 8.2 t -70.29 178.47 2.84 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.605 1.162 . . . . 0.0 113.592 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -139.95 50.33 1.74 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.754 2.021 . . . . 0.0 111.648 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -71.02 126.77 30.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 170.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.7 pt -141.33 164.45 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.673 0.789 . . . . 0.0 112.489 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.405 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 20.5 m -46.55 -44.83 18.25 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.972 0.909 . . . . 0.0 113.159 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -57.24 -32.01 66.12 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.893 1.224 . . . . 0.0 113.036 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -10.88 52.87 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.572 1.549 . . . . 0.0 113.69 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -53.11 139.51 28.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.474 1.51 . . . . 0.0 113.483 -172.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 75.5 m -52.6 -46.22 66.89 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.618 1.567 . . . . 0.0 114.38 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.21 105.61 17.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.776 1.23 . . . . 0.0 111.774 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.31 -23.35 56.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.67 1.588 . . . . 0.0 113.574 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.92 -23.8 66.7 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.718 1.607 . . . . 0.0 113.899 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -125.76 8.81 7.57 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.628 1.571 . . . . 0.0 113.978 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.07 45.03 1.25 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.249 1.819 . . . . 0.0 114.561 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.65 151.31 37.04 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.848 0.832 . . . . 0.0 111.772 162.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.0 -11.4 5.69 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.924 1.29 . . . . 0.0 112.446 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 39.9 m -93.53 -18.24 22.47 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.196 1.398 . . . . 0.0 113.104 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -78.02 179.29 6.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.379 1.072 . . . . 0.0 113.78 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -95.27 -157.51 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.578 1.551 . . . . 0.0 112.587 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -145.87 166.74 25.07 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.819 2.448 . . . . 0.0 110.973 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.57 -31.41 72.1 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.842 -1.161 . . . . 0.0 113.322 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.7 mtt -153.53 130.02 10.65 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.864 1.666 . . . . 0.0 110.023 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.5 m -63.19 161.55 13.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.162 0.585 . . . . 0.0 111.012 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -62.39 -30.32 71.12 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.781 -1.199 . . . . 0.0 112.649 -174.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -71.49 -10.17 59.35 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.561 1.544 . . . . 0.0 113.73 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -102.59 -48.94 3.98 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.365 172.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.79 11.14 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 123.565 1.65 . . . . 0.0 115.1 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -101.43 -37.3 8.5 Favored 'General case' 0 C--N 1.311 -1.065 0 O-C-N 120.226 -1.546 . . . . 0.0 112.068 158.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.36 -31.33 70.65 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.622 1.569 . . . . 0.0 113.73 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -62.68 -29.78 70.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.537 0.608 . . . . 0.0 112.575 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.3 mp -98.85 -30.12 12.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.387 1.075 . . . . 0.0 112.73 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 96.68 37.6 4.69 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.123 1.344 . . . . 0.0 113.286 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.8 pt -120.5 171.66 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.635 1.974 . . . . 0.0 111.704 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -102.42 -40.18 2.63 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 115.581 0.992 . . . . 0.0 115.581 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 55.78 -160.98 0.18 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.486 1.514 . . . . 0.0 113.427 -168.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.71 -33.02 73.28 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.915 -1.116 . . . . 0.0 113.677 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -67.26 -27.59 67.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.979 0.912 . . . . 0.0 113.28 173.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . 67.63 -45.05 0.48 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 131.063 3.745 . . . . 0.0 116.007 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -77.41 36.29 0.19 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 126.823 2.049 . . . . 0.0 113.923 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.81 2.444 . . . . 0.0 113.349 -176.029 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.42 109.37 1.34 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.285 0.948 . . . . 0.0 110.202 174.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.6 t -155.94 -161.35 1.13 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.91 1.284 . . . . 0.0 112.283 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.469 ' HE3' ' CZ3' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.78 95.61 3.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.351 1.06 . . . . 0.0 113.603 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -65.4 130.43 43.3 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.772 1.229 . . . . 0.0 112.143 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.4 39.75 0.41 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.663 1.585 . . . . 0.0 112.747 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.51 116.19 4.15 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 127.394 2.278 . . . . 0.0 108.776 -172.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.628 1.571 . . . . 0.0 111.92 179.531 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.99 -0.444 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 21.5 t -153.56 169.27 23.64 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.169 1.388 . . . . 0.0 111.833 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -93.45 -18.42 22.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.775 1.63 . . . . 0.0 113.391 166.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -96.54 166.65 11.58 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.242 1.417 . . . . 0.0 112.122 172.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -71.04 171.88 10.09 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.568 1.147 . . . . 0.0 113.426 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 74.5 p -144.55 159.01 43.49 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.718 1.207 . . . . 0.0 113.19 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.91 165.59 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 127.051 2.14 . . . . 0.0 111.476 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -118.1 30.89 5.88 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 125.622 1.582 . . . . 0.0 114.061 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 24.8 m -70.48 151.86 44.65 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.364 1.866 . . . . 0.0 113.462 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -67.24 160.3 27.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.9 1.68 . . . . 0.0 112.045 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -65.65 -49.61 68.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.158 0.983 . . . . 0.0 112.763 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 36.7 m 62.07 178.27 0.13 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.919 1.687 . . . . 0.0 113.831 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -63.71 168.4 4.93 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.184 -1.573 . . . . 0.0 113.053 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 49.4 m -38.96 133.64 1.11 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.986 2.514 . . . . 0.0 114.972 -166.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -142.15 -176.47 4.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.681 -153.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -95.16 177.16 5.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.312 -0.868 . . . . 0.0 111.801 169.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -146.44 140.98 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.959 1.704 . . . . 0.0 110.14 165.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -89.7 145.64 25.07 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.462 1.105 . . . . 0.0 110.077 171.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.8 125.81 26.51 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.379 0.609 . . . . 0.0 110.916 162.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -75.99 -2.6 31.34 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.859 1.663 . . . . 0.0 113.802 170.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -112.38 -29.73 7.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.145 0.978 . . . . 0.0 112.407 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 14.0 p -118.2 -112.55 0.34 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.868 1.267 . . . . 0.0 111.366 160.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -170.43 -4.06 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.297 2.239 . . . . 0.0 115.839 -169.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.54 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.4 tmmm? -53.17 149.29 7.15 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.848 1.659 . . . . 0.0 111.843 170.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.565 ' CE2' HCM2 ' B' ' 4' ' ' MLZ . 83.9 m95 -111.52 151.4 28.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.18 0.992 . . . . 0.0 112.786 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -143.78 137.02 27.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.638 1.575 . . . . 0.0 110.075 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 129.85 34.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.188 0.995 . . . . 0.0 110.532 172.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -135.65 154.85 78.43 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 126.689 1.995 . . . . 0.0 111.719 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.05 148.55 45.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.297 1.998 . . . . 0.0 112.746 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -50.95 -25.66 4.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.408 1.483 . . . . 0.0 114.955 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.2 m -56.61 -27.11 57.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.758 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.96 -34.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.083 1.353 . . . . 0.0 112.138 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 2.1 m -60.28 -29.09 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.207 -0.933 . . . . 0.0 112.612 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -76.07 -19.31 78.74 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.373 1.463 . . . . 0.0 114.671 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.2 t -90.01 -39.76 12.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.834 1.253 . . . . 0.0 111.975 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.16 143.93 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 125.479 1.511 . . . . 0.0 110.661 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -160.58 179.25 8.74 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.125 1.77 . . . . 0.0 110.788 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -62.97 -22.08 66.57 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.926 -1.109 . . . . 0.0 113.311 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 89.4 p -83.5 -12.91 55.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.385 1.074 . . . . 0.0 113.576 173.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 11.1 t -80.71 172.29 13.94 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.899 1.28 . . . . 0.0 112.431 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -134.26 61.58 1.67 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.509 1.924 . . . . 0.0 110.154 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -74.06 129.04 37.08 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.319 0.648 . . . . 0.0 109.725 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.32 162.37 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.312 0.645 . . . . 0.0 112.341 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.54 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 63.5 m -49.27 -43.75 43.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.72 174.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 43.0 tpp -65.9 -20.74 66.33 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.915 1.234 . . . . 0.0 113.077 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -12.71 43.62 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.724 1.61 . . . . 0.0 113.411 174.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -54.75 138.42 42.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.762 1.225 . . . . 0.0 113.096 -172.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 57.9 m -53.98 -44.49 70.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.282 1.433 . . . . 0.0 114.228 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.61 103.95 16.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.488 1.115 . . . . 0.0 111.599 -174.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.28 -23.54 56.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.509 1.524 . . . . 0.0 113.374 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -66.24 -24.52 66.6 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.001 1.721 . . . . 0.0 113.974 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -123.73 4.2 8.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.448 1.499 . . . . 0.0 114.547 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.03 43.18 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.868 2.467 . . . . 0.0 114.756 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -145.43 154.69 42.53 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.491 0.716 . . . . 0.0 111.836 163.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.05 -19.41 31.47 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.965 1.306 . . . . 0.0 111.703 165.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.1 m -93.38 -16.19 24.89 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.619 1.168 . . . . 0.0 113.547 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.05 168.91 19.14 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.063 0.945 . . . . 0.0 112.71 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -82.49 -165.07 0.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.192 1.397 . . . . 0.0 112.778 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.02 168.18 26.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.889 2.475 . . . . 0.0 110.864 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -67.3 -33.82 76.09 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.163 -0.961 . . . . 0.0 112.74 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -151.26 129.85 12.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.375 1.47 . . . . 0.0 110.842 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.4 m -65.84 161.95 19.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.872 0.869 . . . . 0.0 111.833 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.0 -17.01 61.73 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.36 -3.26 44.06 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 126.301 1.84 . . . . 0.0 114.057 173.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -114.44 -33.27 5.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.614 1.966 . . . . 0.0 113.493 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . 0.475 HG13 ' HZ2' ' B' ' 4' ' ' MLZ . 1.3 tp -64.37 -56.18 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.037 1.29 . . . . 0.0 110.774 171.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -51.23 -31.79 21.87 Favored 'General case' 0 CA--C 1.551 1.0 0 O-C-N 120.836 -1.165 . . . . 0.0 113.696 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.52 -32.49 74.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.928 1.691 . . . . 0.0 114.353 171.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.88 -39.97 94.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.295 1.038 . . . . 0.0 111.435 174.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.92 -23.25 52.49 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.023 0.929 . . . . 0.0 112.713 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.95 34.48 8.88 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 126.08 1.8 . . . . 0.0 114.339 175.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.6 pt -139.79 171.12 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 126.075 1.75 . . . . 0.0 112.705 -166.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -82.06 -45.18 7.23 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.506 1.051 . . . . 0.0 113.709 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 63.8 -77.42 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 117.132 2.271 . . . . 0.0 117.132 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -160.85 -47.52 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.034 -1.894 . . . . 0.0 112.574 -146.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 62.1 -50.9 0.15 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 128.62 2.768 . . . . 0.0 115.788 -175.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -154.74 -49.19 0.09 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.181 1.792 . . . . 0.0 113.029 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 24.7 t0 54.97 12.51 0.62 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.21 1.804 . . . . 0.0 115.112 -169.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.006 1.723 . . . . 0.0 113.336 176.42 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -63.57 -50.47 69.34 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 176.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.2 t 43.32 -163.27 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 129.283 3.033 . . . . 0.0 115.979 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.565 HCM2 ' CE2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.87 122.6 15.28 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.338 1.055 . . . . 0.0 113.388 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -66.44 128.1 34.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.67 -14.49 51.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.428 1.091 . . . . 0.0 113.937 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -82.11 54.25 2.46 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.976 1.71 . . . . 0.0 112.227 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 47.6 t80 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.822 1.649 . . . . 0.0 112.541 -168.259 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 93.4 p -153.75 164.21 38.71 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.137 1.375 . . . . 0.0 112.002 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 51.1 tpt85 61.93 -12.71 0.06 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 128.411 2.684 . . . . 0.0 117.104 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -62.9 -33.99 76.47 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.869 1.213 . . . . 0.0 113.137 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 58.75 -179.55 0.07 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.441 1.896 . . . . 0.0 113.178 -167.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 79.9 p -150.45 160.04 44.05 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 14.5 p -158.22 158.19 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.318 2.247 . . . . 0.0 109.16 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -77.79 -123.66 0.27 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.41 1.481 . . . . 0.0 113.543 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 72.1 m -150.94 152.22 33.28 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.68 1.592 . . . . 0.0 112.02 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -160.0 172.71 17.06 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.257 2.223 . . . . 0.0 109.589 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -91.35 -85.98 0.23 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.065 0.848 . . . . 0.0 112.292 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 861' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 862' ' ' GLU . 1.4 m 57.12 -148.9 0.48 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.216 1.006 . . . . 0.0 110.953 -169.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . 0.43 ' H ' HG22 ' A' ' 861' ' ' THR . 51.4 mt-10 -99.8 176.09 5.57 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.899 1.68 . . . . 0.0 112.34 175.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 78.5 p -48.46 141.8 6.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.104 1.762 . . . . 0.0 115.461 -166.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.96 -175.93 4.6 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.199 -157.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -113.58 171.4 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.084 0.954 . . . . 0.0 112.145 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.6 p -145.11 142.09 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.664 1.186 . . . . 0.0 110.031 168.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -88.23 141.09 28.83 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.813 1.245 . . . . 0.0 109.8 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.83 114.05 8.51 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.638 0.654 . . . . 0.0 109.544 162.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -64.01 -17.61 63.49 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.59 -16.75 28.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.795 0.838 . . . . 0.0 113.25 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 76.0 m -115.61 -104.75 0.4 Allowed 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 126.427 1.891 . . . . 0.0 110.222 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.4 p90 170.8 -17.41 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.001 1 C-N-CA 132.375 4.27 . . . . 0.0 109.958 -171.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -47.25 153.04 0.52 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.947 2.499 . . . . 0.0 113.19 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.472 ' CE3' ' HE3' ' B' ' 4' ' ' MLZ . 62.7 m95 -113.93 153.74 28.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.675 1.19 . . . . 0.0 112.363 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -144.38 139.96 28.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.541 1.136 . . . . 0.0 111.909 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 122.1 26.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.532 1.933 . . . . 0.0 110.023 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.77 156.54 79.97 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 125.165 1.386 . . . . 0.0 112.757 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -68.42 150.03 75.39 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 121.915 1.743 . . . . 0.0 110.819 162.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.05 41.64 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.2 m -58.98 -28.49 66.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.921 1.288 . . . . 0.0 112.266 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.86 -41.45 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.977 0.911 . . . . 0.0 110.835 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.19 -19.72 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -92.26 -18.84 41.02 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.785 1.183 . . . . 0.0 114.436 171.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -84.3 -34.43 23.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.971 1.308 . . . . 0.0 112.304 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -67.95 123.79 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.659 1.584 . . . . 0.0 107.723 167.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -85.78 174.44 9.34 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.69 1.196 . . . . 0.0 112.438 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.66 -42.14 64.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.702 1.201 . . . . 0.0 112.242 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 80.1 p -96.8 -1.99 45.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.881 1.672 . . . . 0.0 114.769 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 65.6 m -68.19 121.61 16.55 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.754 1.161 . . . . 0.0 112.253 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -76.86 75.2 3.47 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.888 1.275 . . . . 0.0 110.617 172.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.15 131.9 44.97 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.4 pt -140.77 163.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.448 1.099 . . . . 0.0 111.599 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 17.8 m -49.9 -45.57 51.0 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.52 -13.09 61.74 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.911 -1.118 . . . . 0.0 113.643 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -12.21 28.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.821 1.649 . . . . 0.0 113.216 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -54.55 134.56 46.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.106 1.362 . . . . 0.0 112.598 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.5 m -56.01 -43.21 77.52 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.491 1.516 . . . . 0.0 113.749 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.01 99.8 11.25 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.323 1.049 . . . . 0.0 111.467 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -60.23 -18.21 47.11 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.147 1.779 . . . . 0.0 113.854 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -68.8 -24.32 64.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.219 1.808 . . . . 0.0 113.873 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -133.25 22.1 4.07 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.76 1.624 . . . . 0.0 112.804 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -96.52 40.53 1.13 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.928 1.691 . . . . 0.0 114.572 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -141.88 146.31 35.63 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.004 1.322 . . . . 0.0 110.986 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.6 m -58.58 -19.6 39.61 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.656 0.782 . . . . 0.0 112.116 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 38.2 m -86.44 -18.77 30.87 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.445 1.498 . . . . 0.0 114.368 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 6.3 mmpt? -75.69 -178.76 4.34 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.971 1.308 . . . . 0.0 113.516 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.8 t -106.87 -155.4 0.55 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.959 1.703 . . . . 0.0 112.553 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -145.54 167.93 21.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.978 2.111 . . . . 0.0 112.361 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.6 -35.53 74.5 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -151.31 132.86 14.77 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.901 1.681 . . . . 0.0 109.964 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.0 m -60.14 157.64 12.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.289 0.95 . . . . 0.0 111.685 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -55.02 -38.27 67.72 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.547 0.739 . . . . 0.0 111.691 -171.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.63 -27.62 68.79 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.469 1.508 . . . . 0.0 114.353 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -87.61 -48.63 7.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.445 1.498 . . . . 0.0 111.633 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.1 tp -59.43 -55.5 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.646 0.657 . . . . 0.0 111.798 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -58.52 -23.19 57.56 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.337 -1.477 . . . . 0.0 114.157 -175.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.68 -32.86 71.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.322 1.449 . . . . 0.0 114.055 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.1 -42.05 99.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.705 1.202 . . . . 0.0 112.201 -178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.7 mp -87.29 -27.89 22.62 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.858 0.863 . . . . 0.0 111.908 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 81.99 52.72 3.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.439 1.495 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 47.9 pt -131.93 165.39 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.314 1.446 . . . . 0.0 113.688 -165.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -95.32 44.83 2.1 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 117.312 1.685 . . . . 0.0 117.312 -163.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -59.58 156.5 13.35 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.936 1.868 . . . . 0.0 111.32 162.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -83.84 4.73 27.95 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.936 1.695 . . . . 0.0 114.076 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 66.73 -53.5 0.44 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.383 3.073 . . . . 0.0 114.38 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -75.62 -45.79 35.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.701 1.201 . . . . 0.0 111.586 169.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 8.1 t70 58.26 0.45 0.13 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.791 2.436 . . . . 0.0 116.891 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.63 1.972 . . . . 0.0 112.436 177.625 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.22 115.84 3.48 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.764 0.711 . . . . 0.0 111.394 176.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t -172.14 -161.01 0.16 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.777 1.231 . . . . 0.0 112.813 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.472 ' HE3' ' CE3' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -136.28 102.27 4.93 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -42.16 96.56 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.614 1.566 . . . . 0.0 114.606 -168.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 53.09 26.69 5.09 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.177 1.391 . . . . 0.0 114.023 -172.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -151.78 114.02 4.53 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 128.998 2.919 . . . . 0.0 107.632 -168.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.011 1.324 . . . . 0.0 112.675 -176.838 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 22.8 t -79.98 163.88 23.91 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.743 1.217 . . . . 0.0 113.89 -178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -74.0 -28.97 61.71 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.815 1.646 . . . . 0.0 112.71 168.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -142.73 -19.17 0.67 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 67.73 147.06 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 129.26 3.024 . . . . 0.0 118.943 168.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 82.0 p -160.09 -104.87 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.832 2.453 . . . . 0.0 110.904 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.07 166.74 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 128.631 2.772 . . . . 0.0 112.056 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -73.47 96.22 0.81 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.453 1.501 . . . . 0.0 109.997 170.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 15.1 m -47.1 140.66 4.88 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 127.876 2.47 . . . . 0.0 115.116 -171.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -132.17 161.92 32.17 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.668 1.987 . . . . 0.0 110.845 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -54.05 -49.36 69.16 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.615 1.166 . . . . 0.0 113.549 -169.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 861' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 862' ' ' GLU . 5.8 m 56.0 -159.66 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.814 0.846 . . . . 0.0 111.823 176.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . 0.47 ' H ' HG22 ' A' ' 861' ' ' THR . 16.8 tt0 -79.11 174.19 11.81 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 119.898 -1.751 . . . . 0.0 111.105 160.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 51.9 p -55.32 137.73 47.03 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.826 -1.171 . . . . 0.0 111.907 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -144.21 176.91 8.98 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.401 0.681 . . . . 0.0 111.836 -160.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -89.16 175.06 7.53 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.821 -1.174 . . . . 0.0 112.847 173.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.6 p -150.29 144.31 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.138 1.775 . . . . 0.0 110.279 165.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.36 143.97 27.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.828 0.851 . . . . 0.0 111.68 174.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.1 124.39 27.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.442 0.697 . . . . 0.0 110.982 161.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.36 -10.61 59.01 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 171.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -86.85 -30.53 21.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.393 0.997 . . . . 0.0 111.886 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 17.8 p -118.11 -101.24 0.43 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.94 1.296 . . . . 0.0 111.296 163.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -171.01 -11.48 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.573 2.349 . . . . 0.0 114.807 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -50.41 158.66 0.57 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.11 2.164 . . . . 0.0 114.358 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -114.05 150.05 34.56 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.438 1.095 . . . . 0.0 112.926 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -142.86 136.68 28.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.05 1.74 . . . . 0.0 110.978 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.93 111.98 19.74 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.439 1.496 . . . . 0.0 109.786 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 30.2 pt -112.88 159.43 34.54 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 127.753 2.421 . . . . 0.0 111.518 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.05 150.34 66.33 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 121.282 1.321 . . . . 0.0 111.973 167.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -46.35 -33.86 4.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.355 1.862 . . . . 0.0 114.735 172.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -58.92 -28.26 66.06 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.064 1.345 . . . . 0.0 112.671 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.29 -37.08 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.375 1.07 . . . . 0.0 111.291 173.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -22.57 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 119.496 1.044 . . . . 0.0 113.046 -178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.81 -18.55 63.28 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.537 1.065 . . . . 0.0 114.545 172.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -85.26 -41.5 15.51 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.771 1.229 . . . . 0.0 111.649 172.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.0 156.41 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 C-N-CA 126.254 1.821 . . . . 0.0 109.384 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -149.09 173.94 12.86 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.146 1.378 . . . . 0.0 111.45 -177.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -48.92 -40.48 30.19 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.287 1.435 . . . . 0.0 111.47 167.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 80.1 p -88.45 -16.57 32.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.956 1.303 . . . . 0.0 114.505 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 21.4 t -74.57 159.24 32.43 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.619 0.768 . . . . 0.0 112.499 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.96 79.66 1.61 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.143 1.777 . . . . 0.0 110.964 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -78.51 141.59 38.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.881 1.272 . . . . 0.0 109.908 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -140.31 161.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.626 1.103 . . . . 0.0 113.546 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 74.4 m -49.39 -44.62 45.16 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.358 1.063 . . . . 0.0 113.622 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.72 -21.95 66.87 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.163 1.347 . . . . 0.0 112.92 -175.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -11.94 46.61 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.767 1.627 . . . . 0.0 113.421 175.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -54.69 138.86 40.74 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.91 1.284 . . . . 0.0 113.218 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -54.54 -43.94 72.41 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.26 1.424 . . . . 0.0 114.164 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.2 105.33 17.57 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.745 1.218 . . . . 0.0 111.564 -174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -58.21 -24.34 58.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.366 1.466 . . . . 0.0 113.39 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.83 -23.31 67.2 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.024 1.73 . . . . 0.0 114.013 172.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -128.19 10.37 6.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.473 1.509 . . . . 0.0 114.161 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -87.58 41.45 0.99 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.884 2.074 . . . . 0.0 114.605 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.09 152.05 37.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.797 0.839 . . . . 0.0 111.351 165.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.52 -15.7 7.84 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.144 0.978 . . . . 0.0 112.226 166.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.4 m -91.31 -18.9 23.6 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.508 1.123 . . . . 0.0 113.214 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -76.22 178.13 6.68 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.201 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.8 t -93.68 -159.72 0.71 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.267 1.427 . . . . 0.0 112.848 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -148.05 167.57 24.6 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.796 2.439 . . . . 0.0 110.892 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.95 -36.36 83.7 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.253 -0.905 . . . . 0.0 113.24 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 56.7 mtt -152.48 133.98 14.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.552 1.541 . . . . 0.0 110.873 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.1 p -62.05 155.89 22.81 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.984 0.897 . . . . 0.0 112.389 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.02 -31.43 71.05 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.3 -160.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -80.27 -11.91 59.67 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.148 1.779 . . . . 0.0 115.025 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -97.32 -38.23 9.74 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.312 1.445 . . . . 0.0 111.735 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -66.9 -55.68 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 118.669 0.668 . . . . 0.0 112.296 170.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -54.72 -27.96 44.58 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.003 -1.686 . . . . 0.0 114.321 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.31 -31.78 72.43 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.338 2.255 . . . . 0.0 114.344 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.78 -45.65 92.98 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.084 0.954 . . . . 0.0 111.885 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . 0.472 ' CD2' ' H ' ' B' ' 6' ' ' THR . 2.6 mp -83.12 -30.47 27.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.809 0.844 . . . . 0.0 112.167 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.73 39.54 6.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.271 1.415 . . . . 0.0 112.735 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.91 174.45 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.095 1.758 . . . . 0.0 112.157 -171.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -142.71 113.67 0.81 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.836 1.684 . . . . 0.0 110.486 -175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . 0.426 ' C ' ' H ' ' A' ' 925' ' ' GLU . 2.2 pt20 -143.86 174.95 10.38 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.472 1.909 . . . . 0.0 112.057 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 67.29 -16.28 0.16 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 128.722 2.809 . . . . 0.0 116.05 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 923' ' ' GLN . 59.0 tt0 60.3 -59.52 0.07 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 131.085 3.754 . . . . 0.0 116.018 171.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -83.07 -51.13 7.82 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.759 1.623 . . . . 0.0 112.456 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 26.4 t0 52.62 18.22 0.95 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 125.821 1.648 . . . . 0.0 114.23 -167.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.041 1.736 . . . . 0.0 113.421 179.656 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 111.366 0.136 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -62.76 161.91 11.73 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 170.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -160.77 -146.73 0.13 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -80.73 -24.68 38.59 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.472 ' H ' ' CD2' ' A' ' 919' ' ' LEU 0.255 0.0 OUTLIER 57.78 163.77 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 128.782 2.833 . . . . 0.0 116.776 -175.977 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.48 15.87 2.37 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.456 1.502 . . . . 0.0 113.559 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -89.39 -176.44 5.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.719 2.008 . . . . 0.0 110.482 174.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 50.6 p90 . . . . . 0 C--O 1.254 1.295 0 C-N-CA 128.934 2.894 . . . . 0.0 112.824 -178.363 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 41.0 t -156.24 153.92 29.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.686 1.595 . . . . 0.0 110.716 173.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -67.73 -33.8 75.59 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.788 0.835 . . . . 0.0 112.983 171.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -124.77 -64.5 1.1 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.59 1.156 . . . . 0.0 113.09 -165.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -161.02 167.03 27.26 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.038 1.735 . . . . 0.0 111.033 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 41.2 p -67.38 157.94 32.88 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.56 157.25 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 122.066 0.936 . . . . 0.0 113.159 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -81.6 54.76 4.82 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.439 1.495 . . . . 0.0 112.739 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 8.1 t 60.25 -162.05 0.27 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.376 1.47 . . . . 0.0 111.761 -162.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.56 171.81 1.85 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.137 1.775 . . . . 0.0 113.59 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -137.04 96.39 3.29 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 125.814 2.721 . . . . 0.0 109.163 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 2.1 p -75.83 148.48 38.35 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 109.951 -3.295 . . . . 0.0 112.585 166.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 57.11 177.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.148 1.779 . . . . 0.0 114.546 -174.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 62.0 m -59.91 135.3 57.66 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.82 -1.175 . . . . 0.0 111.785 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -130.94 -177.88 4.57 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.721 0.808 . . . . 0.0 112.584 -160.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -98.95 172.33 7.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.421 -0.8 . . . . 0.0 111.169 161.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.69 145.21 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.707 1.603 . . . . 0.0 110.006 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.43 144.56 28.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.504 1.521 . . . . 0.0 111.533 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.0 t -73.1 117.88 15.37 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.032 0.933 . . . . 0.0 111.447 167.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -78.3 6.3 8.58 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 168.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -101.25 -30.62 11.42 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.493 1.042 . . . . 0.0 112.53 167.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.269 14.4 p -126.09 -98.81 0.4 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.397 1.479 . . . . 0.0 112.119 168.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -162.04 -13.04 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.838 2.455 . . . . 0.0 114.991 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -43.12 136.52 2.83 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.982 1.713 . . . . 0.0 113.939 -173.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -101.75 143.43 31.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.362 1.065 . . . . 0.0 111.658 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -142.84 137.21 29.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.905 1.682 . . . . 0.0 110.246 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.3 30.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.65 1.18 . . . . 0.0 109.549 174.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.2 pt -127.34 156.2 75.28 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 127.377 2.271 . . . . 0.0 111.102 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.91 154.92 62.96 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.459 1.439 . . . . 0.0 111.454 167.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -51.75 -26.18 8.99 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.0 m -60.75 -27.18 67.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.986 1.314 . . . . 0.0 112.79 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 91.4 t -91.21 -38.81 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.429 1.092 . . . . 0.0 110.818 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.73 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.981 0.809 . . . . 0.0 112.801 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.47 -17.86 70.11 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.974 1.274 . . . . 0.0 114.197 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.4 t -91.94 -41.22 10.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.2 1.4 . . . . 0.0 112.113 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -77.2 117.14 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.19 1.396 . . . . 0.0 109.486 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -92.52 173.73 7.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.19 1.396 . . . . 0.0 111.972 170.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -50.29 -39.0 44.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.814 1.246 . . . . 0.0 112.154 171.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 3.2 t -92.21 -9.96 40.38 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 50.6 m -72.3 121.34 19.28 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.964 -1.085 . . . . 0.0 111.855 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -79.83 73.02 6.6 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.035 1.334 . . . . 0.0 111.957 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -76.07 135.32 39.9 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.201 1.001 . . . . 0.0 109.477 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.4 pt -142.97 164.87 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.82 0.848 . . . . 0.0 112.768 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 75.0 m -49.11 -47.44 45.36 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.313 -0.867 . . . . 0.0 113.215 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -63.66 -25.27 68.14 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.844 1.202 . . . . 0.0 112.878 -173.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -7.65 56.7 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -54.54 136.36 44.92 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.679 1.592 . . . . 0.0 111.862 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 56.6 m -60.27 -42.34 95.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.345 1.458 . . . . 0.0 113.475 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.14 102.47 13.3 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.243 1.017 . . . . 0.0 111.368 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -58.93 -21.64 58.43 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.865 1.666 . . . . 0.0 113.512 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.05 -26.26 68.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.099 1.76 . . . . 0.0 113.563 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -133.02 16.87 4.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.535 1.534 . . . . 0.0 113.616 -173.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.37 32.66 0.93 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.972 1.709 . . . . 0.0 114.975 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -149.87 148.67 29.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.968 1.307 . . . . 0.0 111.49 166.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.56 -18.36 4.32 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 125.786 1.634 . . . . 0.0 112.599 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 33.6 m -90.67 -15.01 31.15 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.359 1.864 . . . . 0.0 113.569 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.11 -175.49 1.84 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.9 t -81.18 -159.84 0.29 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.008 1.723 . . . . 0.0 113.147 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -153.61 155.7 36.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 128.192 2.597 . . . . 0.0 109.893 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.8 -40.11 91.59 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.541 1.519 . . . . 0.0 112.052 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -144.33 140.08 28.91 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.026 1.33 . . . . 0.0 110.388 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.03 156.58 20.92 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.184 0.902 . . . . 0.0 111.152 173.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -61.59 -32.3 72.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -163.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -71.39 -28.53 64.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.532 1.133 . . . . 0.0 113.037 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -83.11 -37.24 24.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.384 1.074 . . . . 0.0 111.95 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.7 tp -67.87 -54.85 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.667 0.667 . . . . 0.0 111.081 169.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -57.83 -26.28 61.8 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.445 -1.409 . . . . 0.0 114.043 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -66.26 -36.35 82.76 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.157 1.383 . . . . 0.0 114.164 167.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -65.82 -33.45 75.89 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.97 1.308 . . . . 0.0 112.516 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.62 -38.45 29.23 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.854 0.862 . . . . 0.0 111.946 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.81 38.71 4.84 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.852 1.691 . . . . 0.0 113.302 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 15.9 pt -136.34 172.33 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.892 1.677 . . . . 0.0 112.869 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -117.17 96.43 0.7 Allowed Glycine 0 CA--C 1.528 0.892 0 C-N-CA 126.198 1.856 . . . . 0.0 110.6 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -65.64 160.39 22.74 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.294 1.038 . . . . 0.0 113.548 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.11 -44.3 84.69 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.504 1.122 . . . . 0.0 113.119 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -67.75 -35.78 79.35 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.282 1.033 . . . . 0.0 112.383 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.97 -46.34 65.45 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.151 1.38 . . . . 0.0 112.949 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 23.5 t0 55.72 17.88 2.62 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.965 1.706 . . . . 0.0 113.742 -168.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.339 0 C-N-CA 126.116 1.766 . . . . 0.0 113.555 177.451 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.61 130.85 45.18 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.997 158.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t -161.66 -161.78 0.81 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 176.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -146.5 111.12 5.2 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.683 -1.261 . . . . 0.0 114.249 -170.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -70.13 133.55 47.24 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.022 1.329 . . . . 0.0 112.588 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.79 -5.77 11.55 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.025 1.33 . . . . 0.0 113.702 172.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -90.77 69.44 6.54 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.65 1.58 . . . . 0.0 111.143 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.538 1.535 . . . . 0.0 113.165 177.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 44.0 t -65.96 137.09 56.9 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.633 0.773 . . . . 0.0 112.517 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -85.69 -30.81 22.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.95 1.3 . . . . 0.0 112.445 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.77 -59.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.445 2.298 . . . . 0.0 108.403 -164.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -155.68 159.65 39.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.725 2.41 . . . . 0.0 109.097 164.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 37.1 p -100.4 148.56 24.59 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 8.9 p -166.67 155.49 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 126.6 1.96 . . . . 0.0 110.917 173.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 170.05 51.93 0.04 OUTLIER Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.752 0.691 . . . . 0.0 114.774 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 73.1 m -144.99 148.34 33.64 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.049 1.34 . . . . 0.0 112.68 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.2 140.43 41.66 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.102 0.961 . . . . 0.0 111.974 168.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -161.14 -54.9 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.478 1.511 . . . . 0.0 110.421 168.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 9.6 p -77.05 174.68 10.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.435 2.294 . . . . 0.0 113.985 173.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 863' ' ' SER . 14.2 tt0 -66.99 -177.86 0.69 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.596 1.159 . . . . 0.0 111.755 159.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 863' ' ' SER . . . . . 0.428 ' H ' ' HG2' ' A' ' 862' ' ' GLU . 38.6 m -42.34 144.4 0.5 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.009 2.523 . . . . 0.0 115.857 -174.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -125.86 -172.34 2.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.687 1.595 . . . . 0.0 113.102 -163.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -104.32 175.71 5.4 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.526 -0.734 . . . . 0.0 111.821 159.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.15 146.17 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.392 1.477 . . . . 0.0 110.801 163.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 0.2 OUTLIER -96.21 142.95 27.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 111.728 178.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.93 126.51 30.63 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.8 0.84 . . . . 0.0 111.754 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -83.3 -10.59 58.42 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.94 -27.4 22.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.111 0.869 . . . . 0.0 112.662 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.265 16.0 p -128.78 -94.15 0.43 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.819 1.247 . . . . 0.0 111.761 166.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -170.51 -18.1 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.179 2.592 . . . . 0.0 113.177 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.02 141.53 2.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.08 1.352 . . . . 0.0 114.325 -174.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.526 ' CG ' HCM1 ' B' ' 4' ' ' MLZ . 76.5 m95 -101.84 148.85 24.82 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 125.505 1.522 . . . . 0.0 112.063 -176.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -145.07 138.93 27.03 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.307 1.443 . . . . 0.0 110.289 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -76.23 128.32 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.492 1.517 . . . . 0.0 109.85 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.3 pt -135.33 155.6 78.56 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 125.308 1.443 . . . . 0.0 112.508 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -66.79 149.27 83.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 121.839 1.693 . . . . 0.0 111.017 163.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.28 62.63 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 70.8 m -60.57 -25.55 66.28 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.129 -0.982 . . . . 0.0 112.792 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.4 t -84.37 -38.81 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.625 0.77 . . . . 0.0 110.471 171.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -19.46 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 118.914 0.779 . . . . 0.0 113.048 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.03 -21.24 46.82 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.974 1.273 . . . . 0.0 114.732 169.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -83.68 -35.78 24.26 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 112.145 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.4 114.97 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.313 1.445 . . . . 0.0 108.906 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -94.26 177.71 5.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.902 1.681 . . . . 0.0 111.905 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -79.52 -28.17 41.36 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.773 -1.204 . . . . 0.0 112.561 165.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 35.0 t -71.42 -32.44 68.39 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.016 0.926 . . . . 0.0 112.714 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 12.7 t -72.64 173.18 9.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.367 1.467 . . . . 0.0 111.796 169.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -147.02 131.63 17.8 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.957 1.303 . . . . 0.0 111.843 171.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -106.85 138.27 43.34 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.01 1.724 . . . . 0.0 110.366 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 22.8 pt -142.21 162.39 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.966 0.906 . . . . 0.0 112.756 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 71.2 m -46.48 -47.82 19.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.564 1.146 . . . . 0.0 113.325 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 52.8 mtt -65.5 -19.63 66.01 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.907 1.23 . . . . 0.0 113.09 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -15.12 37.73 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.94 1.696 . . . . 0.0 113.375 174.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 139.35 44.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.013 1.325 . . . . 0.0 112.7 -172.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.8 m -54.59 -48.45 72.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.735 1.214 . . . . 0.0 113.234 173.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.73 103.98 16.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.453 1.101 . . . . 0.0 112.142 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . 0.576 ' CA ' ' HE3' ' A' ' 899' ' ' LYS . 0.0 OUTLIER -59.77 -18.96 47.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.582 1.953 . . . . 0.0 114.014 -177.047 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -67.13 -24.92 65.97 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.396 1.478 . . . . 0.0 113.657 170.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.27 5.66 5.8 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -80.87 35.98 0.38 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.359 2.263 . . . . 0.0 114.836 -172.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.42 148.41 30.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 0.0 111.599 168.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 83.6 m -57.98 -16.07 11.19 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.405 1.482 . . . . 0.0 112.834 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 60.9 m -91.78 -14.81 29.24 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.223 1.409 . . . . 0.0 113.27 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -77.53 179.5 6.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -87.7 -161.64 0.73 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.168 1.787 . . . . 0.0 113.051 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.62 156.83 42.57 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.151 2.581 . . . . 0.0 110.486 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.33 -39.19 93.4 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.057 1.298 . . . . 0.0 112.277 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.58 140.37 27.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 0.0 109.636 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 p -60.46 151.89 27.12 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.142 1.337 . . . . 0.0 111.51 168.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.73 -34.74 74.86 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -164.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.41 -26.59 68.52 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.039 0.936 . . . . 0.0 113.372 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -85.98 -39.33 17.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.411 1.084 . . . . 0.0 112.586 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -71.49 -54.02 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.379 0.99 . . . . 0.0 111.922 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -56.33 -26.14 51.33 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 120.007 -1.683 . . . . 0.0 113.77 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.39 -32.71 74.43 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.182 1.793 . . . . 0.0 114.794 168.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -64.8 -38.5 91.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.252 1.421 . . . . 0.0 111.819 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.6 mp -84.01 -36.29 23.26 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.09 0.956 . . . . 0.0 112.186 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.2 44.52 3.51 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.509 1.528 . . . . 0.0 113.102 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 23.6 pt -129.0 -172.89 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.228 1.811 . . . . 0.0 112.131 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -145.61 131.98 4.4 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 126.705 2.098 . . . . 0.0 109.767 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . 0.524 HE22 ' HD2' ' B' ' 4' ' ' MLZ . 1.6 pt20 -155.41 -179.52 8.18 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.781 2.032 . . . . 0.0 112.33 176.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 66.63 -7.42 0.45 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 128.518 2.727 . . . . 0.0 116.472 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -60.28 -30.66 69.6 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.026 2.13 . . . . 0.0 113.507 166.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . 67.03 -41.49 0.41 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 131.112 3.765 . . . . 0.0 115.424 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -69.96 -9.66 55.9 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.246 1.419 . . . . 0.0 114.659 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 C-N-CA 128.371 2.669 . . . . 0.0 114.112 177.069 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.51 121.47 7.11 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 119.719 1.145 . . . . 0.0 111.878 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.1 t -164.57 -159.46 0.47 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.485 1.114 . . . . 0.0 111.24 168.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.526 HCM1 ' CG ' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -137.36 99.56 4.0 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.536 1.134 . . . . 0.0 113.308 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -68.21 -37.48 80.93 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 49.72 36.29 10.62 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.222 1.409 . . . . 0.0 114.237 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -152.11 129.99 11.72 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 127.79 2.436 . . . . 0.0 108.973 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 35.7 p90 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.779 2.032 . . . . 0.0 113.715 176.145 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.102 -0.399 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 7.7 t 58.89 -170.11 0.13 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.723 1.609 . . . . 0.0 113.938 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 61.07 12.93 4.29 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.849 2.46 . . . . 0.0 116.349 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 52.5 mmt-85 60.6 170.06 0.09 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 128.01 2.524 . . . . 0.0 114.562 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 59.9 150.61 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.91 2.484 . . . . 0.0 114.984 -162.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 92.7 p -169.83 172.65 6.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.014 1.726 . . . . 0.0 112.105 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.46 166.58 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.506 1.522 . . . . 0.0 114.066 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -135.51 58.14 0.68 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 127.128 2.299 . . . . 0.0 110.917 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 19.6 m -73.56 -0.51 15.41 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -166.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -149.28 156.98 42.94 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 126.854 2.062 . . . . 0.0 111.969 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.36 -53.47 5.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.768 1.227 . . . . 0.0 112.874 -175.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 861' ' ' THR . . . . . 0.421 ' CG2' ' H ' ' A' ' 862' ' ' GLU . 22.9 m 59.33 -170.46 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.445 1.098 . . . . 0.0 111.437 -172.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . 0.421 ' H ' ' CG2' ' A' ' 861' ' ' THR . 53.1 mt-10 -72.23 164.09 26.84 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 119.48 -2.012 . . . . 0.0 112.019 167.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 60.6 m -50.73 135.4 23.64 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.944 1.297 . . . . 0.0 112.696 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -131.66 179.69 5.9 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.86 0.864 . . . . 0.0 112.034 -155.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -92.66 174.55 7.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.171 -0.956 . . . . 0.0 112.016 160.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.79 142.83 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.638 1.975 . . . . 0.0 109.395 166.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.96 147.85 27.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.295 1.038 . . . . 0.0 111.576 174.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.77 112.47 8.84 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.127 0.489 . . . . 0.0 109.694 155.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -62.35 -16.65 55.73 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 171.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.64 -13.19 23.02 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.01 1.324 . . . . 0.0 113.665 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 87.4 m -118.54 -103.71 0.41 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 126.258 1.823 . . . . 0.0 110.36 170.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 51.8 p90 174.09 -16.68 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.929 1 C-N-CA 132.273 4.229 . . . . 0.0 110.232 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.453 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 7.1 ttpt -45.88 153.86 0.27 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.375 2.67 . . . . 0.0 113.465 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.462 ' CZ3' ' HE3' ' B' ' 4' ' ' MLZ . 76.2 m95 -119.96 148.75 43.15 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.818 0.847 . . . . 0.0 113.04 -177.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -141.78 137.21 31.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.153 1.381 . . . . 0.0 112.613 172.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 126.03 31.21 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.462 1.505 . . . . 0.0 110.059 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.19 159.69 70.42 Favored Pre-proline 0 N--CA 1.471 0.581 0 C-N-CA 128.136 2.574 . . . . 0.0 111.55 -173.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -69.9 151.04 68.16 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.545 1.497 . . . . 0.0 111.474 163.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.79 -23.1 40.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 39.1 t -59.17 -30.18 68.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.261 1.024 . . . . 0.0 112.043 173.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 93.8 t -84.24 -42.34 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.197 0.999 . . . . 0.0 110.526 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -21.47 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 121.497 -0.752 . . . . 0.0 112.401 -177.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -90.96 7.51 81.05 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.396 1.95 . . . . 0.0 114.843 173.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 21.9 t -129.66 -25.67 2.57 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.659 1.584 . . . . 0.0 113.191 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.88 127.54 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 124.879 1.271 . . . . 0.0 109.373 169.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -139.31 170.12 16.52 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.099 1.759 . . . . 0.0 113.518 -170.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.18 -37.07 64.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.948 1.699 . . . . 0.0 114.681 -174.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 90.9 p -81.09 -10.7 59.63 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.622 1.569 . . . . 0.0 113.495 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 8.9 t -91.28 168.23 11.74 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.553 1.541 . . . . 0.0 112.024 171.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -131.27 114.16 14.7 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.544 1.138 . . . . 0.0 109.213 155.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -78.34 128.9 34.34 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 165.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.6 pt -141.56 164.35 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.182 0.993 . . . . 0.0 111.543 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.453 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 22.3 m -49.81 -45.59 50.16 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.76 -23.98 67.58 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.998 1.272 . . . . 0.0 113.082 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -14.13 47.82 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.439 1.496 . . . . 0.0 113.508 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -55.95 135.82 52.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.16 1.384 . . . . 0.0 112.768 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.3 m -57.69 -43.33 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.265 1.426 . . . . 0.0 113.593 170.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.25 103.84 13.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.378 1.071 . . . . 0.0 112.213 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.86 -16.17 38.57 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.167 1.787 . . . . 0.0 113.438 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -57.8 -32.53 67.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 168.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -140.58 17.96 2.36 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -84.43 39.27 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.542 1.537 . . . . 0.0 114.782 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.87 144.48 31.13 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.515 1.526 . . . . 0.0 110.953 173.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.5 m -59.69 -20.11 54.17 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.327 0.651 . . . . 0.0 111.969 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 20.4 m -87.2 -17.87 31.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.333 1.453 . . . . 0.0 114.087 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -74.73 175.13 8.23 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.561 1.144 . . . . 0.0 113.878 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.7 t -87.28 -156.49 0.34 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.912 1.685 . . . . 0.0 112.249 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.79 166.15 34.18 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.22 2.608 . . . . 0.0 110.595 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -73.73 -26.22 60.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.4 mmt -148.9 128.66 13.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.391 1.476 . . . . 0.0 110.305 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.1 m -61.69 160.88 10.85 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.153 0.981 . . . . 0.0 110.96 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.18 -26.85 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 120.6 -1.312 . . . . 0.0 112.794 -174.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.07 -0.77 29.34 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.628 1.571 . . . . 0.0 114.126 170.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -114.25 -45.91 3.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.937 . . . . 0.0 111.564 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.38 7.26 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 123.804 1.764 . . . . 0.0 114.837 174.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -94.25 -41.3 9.54 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.653 -1.904 . . . . 0.0 112.601 156.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.69 -30.4 70.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.904 1.281 . . . . 0.0 113.904 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -60.05 -33.47 72.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.775 0.83 . . . . 0.0 112.843 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.44 -26.72 14.75 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 97.34 28.59 8.43 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.192 1.377 . . . . 0.0 113.38 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 49.7 pt -108.78 170.37 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.623 1.969 . . . . 0.0 111.435 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -94.37 -41.08 4.33 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.139 0.876 . . . . 0.0 114.16 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . 0.254 4.9 tp-100 59.71 142.59 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.953 2.901 . . . . 0.0 116.163 -166.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -75.09 -33.07 61.6 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 114.606 -1.179 . . . . 0.0 113.396 -173.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.54 -37.96 86.11 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.985 0.914 . . . . 0.0 112.367 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -72.43 -44.15 62.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.904 1.282 . . . . 0.0 112.699 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 27.9 t0 56.44 19.17 3.91 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.791 1.636 . . . . 0.0 113.507 -166.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.332 0 C-N-CA 125.804 1.642 . . . . 0.0 113.587 176.21 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.44 108.2 0.6 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.177 0.991 . . . . 0.0 110.166 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -158.7 -164.57 1.47 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.462 ' HE3' ' CZ3' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -141.65 104.32 4.53 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.972 -1.08 . . . . 0.0 113.617 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -71.32 132.57 45.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.971 1.309 . . . . 0.0 112.862 -174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.74 17.92 1.64 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.095 1.358 . . . . 0.0 113.465 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -76.52 160.85 29.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.66 1.984 . . . . 0.0 110.082 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 10.6 p90 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 129.222 3.009 . . . . 0.0 114.0 178.072 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.414 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 66.6 m -74.03 160.09 31.77 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.895 1.278 . . . . 0.0 113.309 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -23.1 63.79 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -176.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 11.8 mtm105 58.8 173.62 0.07 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.01 2.524 . . . . 0.0 114.586 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -156.69 156.95 34.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.912 1.285 . . . . 0.0 112.318 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 52.1 p 54.7 -171.66 0.05 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.476 2.31 . . . . 0.0 115.293 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.0 m -146.73 167.39 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.338 1.855 . . . . 0.0 112.547 -173.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 99.33 133.64 8.18 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 116.216 1.246 . . . . 0.0 116.216 163.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 83.1 p -151.53 150.12 29.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.071 2.149 . . . . 0.0 110.927 169.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -152.64 159.6 43.2 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.222 1.409 . . . . 0.0 111.053 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -54.46 -64.26 0.89 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.744 1.618 . . . . 0.0 113.128 -164.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 861' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 862' ' ' GLU . 16.8 m 52.66 -159.09 0.13 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.3 1.04 . . . . 0.0 111.369 -174.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . 0.468 ' H ' HG23 ' A' ' 861' ' ' THR . 63.3 mt-10 -75.51 166.69 23.19 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 119.775 -1.828 . . . . 0.0 111.287 158.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 57.9 m -46.98 132.27 11.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.189 1.396 . . . . 0.0 113.535 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -133.9 178.14 7.18 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.521 1.128 . . . . 0.0 111.708 -151.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -94.17 175.35 6.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.949 -1.095 . . . . 0.0 112.24 167.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.97 143.4 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.21 1.804 . . . . 0.0 110.254 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 148.74 23.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.797 1.239 . . . . 0.0 111.921 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.11 119.32 19.1 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.978 0.911 . . . . 0.0 110.691 161.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -77.13 -4.6 45.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 170.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -90.64 -50.99 5.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.697 1.135 . . . . 0.0 110.884 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.298 13.7 p -103.45 -102.88 0.29 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.639 1.176 . . . . 0.0 111.26 167.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -164.91 -13.32 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -53.38 141.27 24.96 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -93.8 145.33 24.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.408 1.083 . . . . 0.0 111.749 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -142.02 135.73 29.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.524 1.53 . . . . 0.0 112.986 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.55 124.57 28.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.978 1.311 . . . . 0.0 110.644 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.18 160.32 68.45 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 128.145 2.578 . . . . 0.0 111.319 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -68.38 149.58 75.28 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 121.593 1.529 . . . . 0.0 111.788 166.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -57.22 -25.84 59.73 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -60.71 -27.22 67.73 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.615 1.166 . . . . 0.0 112.429 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 83.5 t -89.23 -39.18 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.93 0.892 . . . . 0.0 110.899 172.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -22.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.416 1.007 . . . . 0.0 113.146 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.42 -20.15 49.56 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.528 1.061 . . . . 0.0 114.402 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.2 t -79.95 -40.42 28.09 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.569 1.147 . . . . 0.0 111.505 170.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.4 146.71 13.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 125.957 1.703 . . . . 0.0 109.951 168.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -159.18 -177.47 6.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.413 1.885 . . . . 0.0 109.423 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -71.87 -18.18 62.07 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.887 -1.133 . . . . 0.0 113.65 166.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 83.5 p -76.66 0.52 20.01 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.027 0.931 . . . . 0.0 113.022 167.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 22.7 t -126.71 167.64 15.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.142 2.177 . . . . 0.0 111.209 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -132.27 92.29 3.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.432 1.493 . . . . 0.0 110.367 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -77.4 133.73 38.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.408 0.683 . . . . 0.0 109.238 171.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 15.7 pt -141.88 163.08 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.025 0.93 . . . . 0.0 111.808 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.5 m -48.71 -47.8 40.85 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.72 0.808 . . . . 0.0 112.886 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 73.0 mtm -68.2 -14.67 63.16 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.725 -1.235 . . . . 0.0 113.619 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -15.55 34.05 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.644 1.577 . . . . 0.0 113.15 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -59.1 137.02 58.12 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.248 1.419 . . . . 0.0 112.925 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 41.8 m -59.0 -42.42 90.0 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.084 1.354 . . . . 0.0 113.561 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -83.77 103.97 13.5 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.448 1.099 . . . . 0.0 112.044 -172.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.0 -18.95 49.76 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.059 1.744 . . . . 0.0 113.497 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -60.29 -27.37 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.248 1.819 . . . . 0.0 113.09 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -137.04 12.1 3.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.04 31.46 0.32 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -148.34 147.23 29.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.203 1.801 . . . . 0.0 110.466 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 72.4 m -59.97 -17.02 34.95 Favored 'General case' 0 CA--C 1.561 1.391 0 O-C-N 121.379 -0.826 . . . . 0.0 112.337 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 67.4 m -85.62 -22.03 28.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.491 1.516 . . . . 0.0 113.596 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -72.09 -179.83 2.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.436 0.695 . . . . 0.0 112.027 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 6.2 t -152.46 152.71 32.29 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.44 162.44 25.49 Favored 'General case' 0 CA--C 1.541 0.599 1 C-N-CA 134.138 4.975 . . . . 0.0 116.797 -154.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -88.3 -29.46 20.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.289 1.036 . . . . 0.0 113.123 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.7 mmt -141.25 137.52 32.6 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 109.583 167.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.6 m -67.11 161.16 25.17 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.341 0.973 . . . . 0.0 111.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -68.23 -19.88 64.77 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -168.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -67.81 -43.41 79.71 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.773 0.715 . . . . 0.0 111.214 166.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -72.65 -46.4 54.12 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.037 0.935 . . . . 0.0 111.305 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.293 1.3 tp -80.11 15.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 173.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . 0.284 0.8 OUTLIER -111.12 -32.9 6.63 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.642 -1.286 . . . . 0.0 113.874 155.319 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.08 -32.63 74.43 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.454 1.102 . . . . 0.0 113.361 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.23 -31.35 68.98 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.36 1.064 . . . . 0.0 112.958 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.9 mp -105.78 -28.95 10.36 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.526 1.131 . . . . 0.0 112.559 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.21 44.29 5.07 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.329 1.442 . . . . 0.0 112.67 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.39 165.35 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.724 1.609 . . . . 0.0 112.84 -171.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -108.07 72.8 0.2 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.218 1.389 . . . . 0.0 113.812 -174.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 174.63 9.76 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 117.871 0.835 . . . . 0.0 112.248 171.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.48 -29.55 70.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.478 1.111 . . . . 0.0 113.563 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 64.38 -58.12 0.23 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 129.314 3.046 . . . . 0.0 116.302 173.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -156.23 -49.93 0.08 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.597 1.559 . . . . 0.0 113.383 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 20.0 t0 55.45 15.12 1.32 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.783 1.633 . . . . 0.0 114.549 -168.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.922 1.689 . . . . 0.0 113.466 177.65 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.13 147.2 48.32 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 121.336 -0.852 . . . . 0.0 110.882 164.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.4 t -167.3 -174.95 2.74 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -174.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -125.16 92.27 3.6 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.728 1.211 . . . . 0.0 111.441 -170.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.2 131.94 52.05 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.752 1.221 . . . . 0.0 113.861 -175.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.67 -17.79 20.12 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.839 1.256 . . . . 0.0 113.681 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.11 63.46 6.33 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.121 1.768 . . . . 0.0 111.918 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.892 1.677 . . . . 0.0 112.303 -176.891 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 15.9 m -65.78 -14.88 62.22 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.29 -25.46 59.6 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.413 1.485 . . . . 0.0 112.695 171.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -109.07 -10.91 14.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.684 1.994 . . . . 0.0 114.536 174.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 64.04 -156.21 0.31 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.345 1.858 . . . . 0.0 114.973 162.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 89.3 p -136.92 178.1 7.34 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.361 1.864 . . . . 0.0 113.694 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.48 156.19 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.682 1.593 . . . . 0.0 112.144 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -103.77 56.48 0.58 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.907 1.718 . . . . 0.0 112.557 168.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 p -69.97 159.63 33.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.52 1.528 . . . . 0.0 113.254 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -84.08 153.18 23.93 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.277 1.431 . . . . 0.0 111.885 173.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -72.97 -49.72 27.49 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . 0.269 13.3 t 48.83 -153.32 0.11 Allowed 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 126.256 1.823 . . . . 0.0 112.782 -171.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.81 -37.57 10.21 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.361 1.465 . . . . 0.0 112.93 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 64.3 m -151.81 136.11 16.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.564 1.946 . . . . 0.0 111.58 173.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -129.47 -174.32 3.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.113 1.765 . . . . 0.0 111.741 -171.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -104.98 170.7 7.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.097 -1.002 . . . . 0.0 111.728 164.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.3 p -144.48 143.48 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.934 1.694 . . . . 0.0 109.692 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -95.66 150.26 20.56 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.546 1.138 . . . . 0.0 112.343 175.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.8 t -74.16 124.77 26.96 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.554 1.142 . . . . 0.0 112.142 170.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.74 -9.63 58.56 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -108.24 -32.03 7.65 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.98 1.264 . . . . 0.0 113.391 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.295 14.4 p -113.73 -104.67 0.4 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.28 1.032 . . . . 0.0 110.73 161.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -168.57 -3.51 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.181 2.193 . . . . 0.0 115.706 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.424 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 3.0 tppt? -47.52 151.57 0.78 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.92 2.488 . . . . 0.0 113.29 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -108.05 149.21 28.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.048 1.339 . . . . 0.0 112.857 171.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -143.85 136.25 26.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.932 1.293 . . . . 0.0 111.751 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 124.87 29.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.149 1.38 . . . . 0.0 109.509 175.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 50.3 pt -129.83 155.81 79.91 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 126.88 2.072 . . . . 0.0 111.537 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -68.24 150.14 76.43 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.547 1.498 . . . . 0.0 111.021 164.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.37 -21.79 16.86 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 67.6 m -62.47 -25.19 67.86 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.241 -0.912 . . . . 0.0 112.588 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 99.4 t -87.53 -40.03 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 110.678 171.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -20.93 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.78 0.718 . . . . 0.0 112.699 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.61 -20.67 59.56 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.996 1.284 . . . . 0.0 114.306 171.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.1 t -85.82 -42.4 14.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.931 1.292 . . . . 0.0 111.953 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.94 134.15 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.712 1.605 . . . . 0.0 109.857 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -145.29 179.68 7.22 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.773 1.629 . . . . 0.0 112.07 -172.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.71 -20.56 61.42 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.046 -1.034 . . . . 0.0 113.311 170.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 83.7 p -85.01 -14.35 47.7 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.221 1.008 . . . . 0.0 113.596 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 24.2 m -81.84 164.45 21.62 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.187 1.395 . . . . 0.0 113.479 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -137.05 75.99 1.56 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.963 1.705 . . . . 0.0 110.155 169.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -73.76 130.07 39.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.2 pt -142.35 163.66 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.99 0.916 . . . . 0.0 112.507 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.424 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 57.9 m -50.45 -45.16 55.81 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.137 0.975 . . . . 0.0 113.338 174.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.7 tpp -63.84 -23.93 67.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.052 1.296 . . . . 0.0 112.604 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.61 -14.37 48.9 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.744 1.617 . . . . 0.0 113.302 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.9 134.38 52.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.843 1.257 . . . . 0.0 112.421 -173.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 46.3 m -56.85 -42.8 80.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.364 1.466 . . . . 0.0 113.617 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.57 101.99 13.16 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.371 1.069 . . . . 0.0 111.722 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -60.5 -18.67 53.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.898 1.679 . . . . 0.0 113.88 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -66.32 -24.77 66.59 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.317 1.847 . . . . 0.0 113.397 171.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -136.08 21.79 3.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.441 1.496 . . . . 0.0 113.569 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -94.92 34.12 1.4 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.908 1.683 . . . . 0.0 115.036 -172.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.25 146.52 30.78 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.04 1.336 . . . . 0.0 110.722 172.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.3 m -56.42 -18.85 12.5 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.768 0.827 . . . . 0.0 112.211 171.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.8 m -89.39 -19.1 25.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.134 1.773 . . . . 0.0 114.61 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -69.92 177.42 3.14 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.1 t -78.77 -166.94 0.97 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.6 1.56 . . . . 0.0 113.185 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -147.75 147.65 30.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.924 2.49 . . . . 0.0 109.804 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.82 -24.13 61.66 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.694 -1.254 . . . . 0.0 113.903 -174.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.4 mtt -143.46 139.69 30.0 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.863 1.265 . . . . 0.0 109.091 171.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -67.37 158.91 30.51 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.63 1.559 . . . . 0.0 110.583 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.69 -33.53 74.16 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.482 -0.761 . . . . 0.0 111.752 -169.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.01 -10.25 59.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.386 1.875 . . . . 0.0 114.825 175.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -99.97 -42.13 6.9 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.729 1.612 . . . . 0.0 111.15 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . 0.487 HG12 HCM1 ' B' ' 4' ' ' MLZ . 1.9 tp -70.42 -50.58 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.978 -0.451 . . . . 0.0 111.619 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -55.38 -26.59 42.22 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.968 -1.707 . . . . 0.0 113.893 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -70.06 -35.82 74.53 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.788 2.035 . . . . 0.0 114.368 170.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -65.28 -39.98 93.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.116 0.966 . . . . 0.0 111.759 174.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.33 -34.69 42.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.386 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 82.7 47.62 5.86 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.596 1.569 . . . . 0.0 113.077 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 39.3 pt -133.54 165.02 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 113.938 -165.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -99.89 58.75 0.78 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.085 1.802 . . . . 0.0 114.55 -174.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.02 173.64 4.42 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 117.869 0.835 . . . . 0.0 112.281 171.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.89 -31.21 66.51 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.178 1.391 . . . . 0.0 113.444 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 61.15 -64.47 0.07 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 129.448 3.099 . . . . 0.0 115.099 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -161.49 -49.46 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.723 1.609 . . . . 0.0 113.474 172.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -81.28 3.71 23.07 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 127.733 2.413 . . . . 0.0 115.01 174.371 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.14 132.11 46.72 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.232 2.213 . . . . 0.0 111.124 171.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.4 t -153.33 -160.17 1.08 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.487 HCM1 HG12 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -155.87 123.95 5.74 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 168.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -38.86 73.63 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.746 1.618 . . . . 0.0 113.582 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.55 7.81 0.78 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.087 1.755 . . . . 0.0 115.183 -171.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -84.6 84.95 7.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 127.272 2.229 . . . . 0.0 108.734 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 61.3 t80 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.665 1.586 . . . . 0.0 112.094 -176.44 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 67.4 m -131.88 151.76 51.49 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.144 1.377 . . . . 0.0 112.534 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -134.95 51.07 2.12 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.734 2.414 . . . . 0.0 111.393 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -65.86 155.97 34.76 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.019 1.327 . . . . 0.0 112.271 -177.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -67.41 158.57 31.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 122.953 0.501 . . . . 0.0 111.457 164.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 71.2 p -105.78 175.84 5.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.571 1.548 . . . . 0.0 114.835 -168.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.65 155.51 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.673 1.589 . . . . 0.0 112.254 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -108.5 96.6 1.03 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 126.005 1.764 . . . . 0.0 109.517 165.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 63.0 p -60.94 144.04 53.89 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.853 1.661 . . . . 0.0 114.312 -173.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -160.52 165.9 30.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.964 2.506 . . . . 0.0 109.902 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -81.05 -79.07 0.16 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.483 -0.761 . . . . 0.0 112.88 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 34.3 p 55.27 -138.72 1.04 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.305 1.442 . . . . 0.0 113.75 -170.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -107.46 171.9 7.13 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.57 2.348 . . . . 0.0 112.008 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 34.5 m -47.11 143.44 3.13 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -166.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.16 -178.67 5.01 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.196 1.398 . . . . 0.0 113.092 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . 0.425 ' HE1' HG23 ' B' ' 6' ' ' THR . 51.2 m95 -130.54 138.64 50.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 123.742 0.817 . . . . 0.0 111.816 167.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -115.08 136.82 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.068 0.947 . . . . 0.0 111.466 -168.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.38 143.28 27.1 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.788 0.835 . . . . 0.0 111.944 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.7 124.51 23.47 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.439 0.695 . . . . 0.0 111.305 165.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.35 -12.51 61.16 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.815 1.246 . . . . 0.0 113.963 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -100.73 -29.77 12.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.752 1.16 . . . . 0.0 112.571 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.277 14.5 p -121.94 -104.22 0.39 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.746 1.218 . . . . 0.0 111.188 160.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -170.84 -4.64 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.348 2.259 . . . . 0.0 115.804 -174.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.83 141.25 13.57 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.219 0.918 . . . . 0.0 112.716 176.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -96.35 149.69 21.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.195 1.398 . . . . 0.0 111.939 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -143.27 136.67 28.24 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.258 1.823 . . . . 0.0 110.899 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.49 126.67 30.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.19 1.796 . . . . 0.0 109.67 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.6 pt -133.4 154.65 81.02 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 126.093 1.757 . . . . 0.0 111.548 -177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -70.49 152.33 65.47 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.521 1.481 . . . . 0.0 110.931 166.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -51.78 -26.56 9.91 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 173.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.5 m -61.47 -25.74 67.44 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.685 0.794 . . . . 0.0 112.495 175.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 87.5 t -88.33 -41.03 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.904 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -20.3 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.165 0.893 . . . . 0.0 113.341 -176.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -87.48 -16.22 60.69 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.756 1.17 . . . . 0.0 114.253 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.7 t -89.6 -39.18 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.305 1.442 . . . . 0.0 112.133 174.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.01 119.09 13.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.642 1.577 . . . . 0.0 109.041 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -111.91 162.03 15.76 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.112 1.765 . . . . 0.0 110.788 172.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -64.63 -22.69 67.04 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.031 -1.043 . . . . 0.0 113.198 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 28.9 t -70.74 -25.37 62.9 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.552 1.141 . . . . 0.0 113.166 170.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 10.5 t -83.65 171.27 13.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.314 1.446 . . . . 0.0 112.186 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.23 95.19 3.48 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.484 1.514 . . . . 0.0 110.62 175.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -77.35 133.1 38.82 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 169.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.9 pt -141.57 162.84 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.653 0.781 . . . . 0.0 112.476 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 81.4 m -47.97 -47.43 32.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.292 1.037 . . . . 0.0 113.158 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.26 -20.79 66.58 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 120.199 1.363 . . . . 0.0 112.973 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -14.99 42.92 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.635 1.574 . . . . 0.0 113.495 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -55.43 134.38 50.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.831 1.253 . . . . 0.0 112.253 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 9.0 m -57.2 -40.37 77.29 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.744 1.218 . . . . 0.0 113.605 172.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.83 98.74 11.64 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.124 0.964 . . . . 0.0 111.597 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.11 -18.21 45.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.263 1.825 . . . . 0.0 113.794 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.41 -25.62 66.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.767 1.627 . . . . 0.0 113.409 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -129.83 9.67 5.43 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.09 37.47 0.49 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.336 2.255 . . . . 0.0 114.703 -172.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.94 149.47 30.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 111.579 167.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.7 m -57.65 -17.3 13.96 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 125.264 1.426 . . . . 0.0 112.545 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 28.5 m -89.02 -17.64 28.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.839 1.656 . . . . 0.0 113.008 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -77.89 177.97 7.8 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -88.03 -161.93 0.77 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.979 1.711 . . . . 0.0 113.096 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -152.65 153.85 34.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.057 2.543 . . . . 0.0 110.163 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.96 -37.31 87.23 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.622 -1.299 . . . . 0.0 112.455 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 63.5 mtt -144.08 140.14 29.3 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.697 1.599 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -64.58 158.27 24.73 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.426 1.012 . . . . 0.0 110.79 175.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.03 -29.3 70.71 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.306 -0.871 . . . . 0.0 112.215 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -79.86 -1.44 39.09 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.832 2.053 . . . . 0.0 115.046 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -108.65 -39.64 5.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.167 1.787 . . . . 0.0 111.607 175.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -52.21 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.515 -0.741 . . . . 0.0 111.478 172.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -53.19 -30.72 39.13 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.228 -1.545 . . . . 0.0 113.475 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.32 -34.05 76.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.771 1.628 . . . . 0.0 114.095 173.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.77 -38.58 91.45 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.455 -0.778 . . . . 0.0 112.0 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.7 mt -77.25 -24.91 51.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.403 1.081 . . . . 0.0 112.148 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.78 33.14 10.19 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.686 1.613 . . . . 0.0 113.523 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 35.1 pt -138.81 173.04 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.376 1.87 . . . . 0.0 111.894 -167.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -90.27 -28.36 17.65 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.118 0.866 . . . . 0.0 114.966 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 59.41 157.83 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.076 1.75 . . . . 0.0 114.185 -154.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -83.6 -27.45 29.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 113.661 -1.608 . . . . 0.0 113.207 -173.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.28 -39.72 89.57 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.889 1.275 . . . . 0.0 112.666 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -73.46 -45.78 52.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.344 1.457 . . . . 0.0 112.315 172.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -78.79 43.49 0.5 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.24 1.416 . . . . 0.0 113.468 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.865 1.666 . . . . 0.0 113.443 179.089 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.179 0.514 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -42.91 143.47 0.73 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.805 2.442 . . . . 0.0 112.704 164.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -155.12 171.2 20.17 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -128.94 96.55 4.38 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.842 0.829 . . . . 0.0 112.268 -166.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.425 HG23 ' HE1' ' A' ' 865' ' ' TRP . 0.0 OUTLIER -66.77 -43.26 84.47 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.995 1.718 . . . . 0.0 114.889 -171.433 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 59.08 -29.13 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.135 2.174 . . . . 0.0 116.339 -164.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -73.35 70.57 1.21 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.413 2.285 . . . . 0.0 112.946 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.952 1.701 . . . . 0.0 111.957 172.721 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.766 -0.534 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 35.7 t -154.34 153.52 31.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.177 1.391 . . . . 0.0 111.775 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -58.33 -42.46 86.83 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.198 1.399 . . . . 0.0 111.983 166.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -120.7 -29.88 4.59 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.894 1.677 . . . . 0.0 115.053 -168.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 61.11 169.38 0.1 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 127.26 2.224 . . . . 0.0 116.19 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 69.6 p -63.52 153.93 34.04 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -170.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.15 155.86 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.557 1.543 . . . . 0.0 111.231 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -59.94 -46.41 94.17 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 115.535 0.974 . . . . 0.0 115.535 -169.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 21.1 t -160.79 161.75 32.13 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.022 1.329 . . . . 0.0 112.078 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -81.6 157.53 24.69 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.668 1.187 . . . . 0.0 111.049 164.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -90.38 -88.25 0.18 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.851 0.86 . . . . 0.0 110.31 170.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 11.4 t -161.92 162.08 28.99 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.608 1.163 . . . . 0.0 112.64 171.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 56.51 -43.14 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 131.674 3.989 . . . . 0.0 118.63 174.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 74.0 m -139.26 160.66 39.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.171 1.788 . . . . 0.0 112.575 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -151.24 175.62 12.01 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.043 1.337 . . . . 0.0 111.814 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -97.31 176.61 5.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.09 -1.006 . . . . 0.0 111.625 162.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 9.6 p -146.99 139.21 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.978 1.311 . . . . 0.0 110.599 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -87.68 141.41 28.63 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.477 1.511 . . . . 0.0 110.533 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.08 119.66 15.52 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.055 0.542 . . . . 0.0 111.1 165.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.1 -13.97 62.74 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -91.02 -28.81 17.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.068 1.304 . . . . 0.0 112.864 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 15.4 p -122.39 -98.59 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.837 1.255 . . . . 0.0 111.407 164.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -173.81 -8.66 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.65 2.38 . . . . 0.0 114.996 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.623 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.8 tmmm? -45.35 146.61 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.884 2.074 . . . . 0.0 113.316 178.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.442 ' CD2' ' HE3' ' B' ' 4' ' ' MLZ . 78.2 m95 -108.48 147.8 31.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.023 0.929 . . . . 0.0 113.478 -175.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -145.03 139.16 27.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.008 1.323 . . . . 0.0 111.983 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -82.54 126.72 32.6 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.195 1.398 . . . . 0.0 110.118 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 47.0 pt -130.09 158.9 72.67 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.032 2.133 . . . . 0.0 111.136 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -67.54 147.96 77.7 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 121.424 1.416 . . . . 0.0 110.349 162.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.01 -19.69 53.89 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 78.2 p -61.61 -26.36 67.93 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.095 -1.003 . . . . 0.0 112.889 170.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.9 t -84.81 -38.16 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.924 0.89 . . . . 0.0 110.256 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.54 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.93 0.786 . . . . 0.0 112.914 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.91 -23.21 56.23 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.9 1.238 . . . . 0.0 114.274 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.0 t -85.74 -39.81 16.77 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.019 1.328 . . . . 0.0 112.241 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.31 119.18 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.843 1.657 . . . . 0.0 108.693 172.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -80.09 158.12 26.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.526 0.731 . . . . 0.0 111.019 167.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -58.95 -33.64 70.85 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.098 -1.001 . . . . 0.0 112.339 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 78.5 p -81.93 -9.26 59.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.609 1.564 . . . . 0.0 114.298 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 17.1 t -78.56 145.32 34.89 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.339 0.972 . . . . 0.0 112.676 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -93.62 69.96 4.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.703 1.601 . . . . 0.0 111.511 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -71.37 132.15 44.42 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 164.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.2 pt -141.32 163.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.117 0.967 . . . . 0.0 112.43 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.623 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 59.0 m -50.41 -45.87 55.93 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 174.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.35 -26.07 68.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.694 1.133 . . . . 0.0 112.367 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -14.24 54.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.491 1.516 . . . . 0.0 113.434 176.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -54.99 134.64 49.04 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.06 1.344 . . . . 0.0 112.457 -173.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 12.8 m -58.61 -41.24 85.45 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.567 1.147 . . . . 0.0 113.599 172.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -86.02 100.05 11.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 122.018 0.913 . . . . 0.0 111.979 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -60.71 -17.48 48.48 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.095 1.758 . . . . 0.0 113.928 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -64.76 -25.84 68.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.505 1.522 . . . . 0.0 113.284 170.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -132.3 8.75 4.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.33 40.13 0.7 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.144 2.178 . . . . 0.0 115.35 -168.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -147.81 150.1 33.56 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.677 1.591 . . . . 0.0 111.558 169.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 74.3 m -58.22 -21.69 48.96 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.662 1.185 . . . . 0.0 112.065 171.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 45.5 m -84.95 -20.31 30.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.663 1.585 . . . . 0.0 113.27 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.42 169.11 18.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.177 0.991 . . . . 0.0 112.958 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.3 t -91.38 -159.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.422 1.489 . . . . 0.0 112.458 -175.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.27 163.43 38.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.867 2.467 . . . . 0.0 111.218 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.47 -26.04 65.28 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -172.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.5 mmt -144.88 136.19 25.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.36 1.064 . . . . 0.0 111.921 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.66 157.2 21.4 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.649 0.659 . . . . 0.0 111.575 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -60.88 -33.0 72.43 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -164.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.89 -16.77 54.68 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.512 1.525 . . . . 0.0 113.574 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -88.74 -41.66 12.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.074 1.35 . . . . 0.0 111.587 174.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.25 1.4 tp -65.05 -58.51 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 118.743 0.701 . . . . 0.0 111.344 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -55.39 -29.05 57.77 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 120.08 -1.637 . . . . 0.0 114.286 -173.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.42 -31.3 72.33 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.313 1.845 . . . . 0.0 114.753 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -58.88 -34.46 71.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 112.536 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . 0.437 ' CD2' ' H ' ' B' ' 5' ' ' GLN . 1.7 mp -96.26 -32.72 12.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.44 1.096 . . . . 0.0 112.218 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.93 4.75 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.255 1.407 . . . . 0.0 113.021 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 18.2 pt -129.86 177.15 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.138 1.775 . . . . 0.0 112.118 -171.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -115.52 173.0 14.49 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.284 1.897 . . . . 0.0 111.665 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -152.68 -179.94 8.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.286 2.634 . . . . 0.0 112.804 -167.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -64.56 -20.83 66.47 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.739 1.616 . . . . 0.0 113.406 168.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 63.09 -63.67 0.12 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 129.501 3.12 . . . . 0.0 113.878 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -164.6 -51.52 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.276 1.83 . . . . 0.0 111.976 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 26.7 t0 54.57 16.43 1.33 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.979 1.712 . . . . 0.0 114.449 -168.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.913 1.685 . . . . 0.0 113.36 177.374 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 116.756 -1.593 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 63.02 132.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 127.547 2.339 . . . . 0.0 112.46 -155.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -158.42 -164.6 1.5 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 169.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.442 ' HE3' ' CD2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.437 ' H ' ' CD2' ' A' ' 919' ' ' LEU . 9.9 pm0 -140.52 45.22 1.83 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -166.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.8 p -58.15 121.21 10.14 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 121.028 -1.045 . . . . 0.0 113.745 -171.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.33 -11.84 59.93 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.392 1.077 . . . . 0.0 113.567 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -74.22 78.05 1.8 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.981 1.712 . . . . 0.0 110.491 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 p90 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.952 1.701 . . . . 0.0 113.318 178.464 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 56.8 p -78.33 173.64 12.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.355 1.062 . . . . 0.0 113.199 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 -65.41 -6.63 10.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.851 1.66 . . . . 0.0 114.898 170.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 67.11 -50.98 0.48 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 129.316 3.047 . . . . 0.0 115.084 -176.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -157.77 156.78 32.18 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.543 1.537 . . . . 0.0 112.093 175.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 44.8 p -150.36 169.42 21.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.12 1.768 . . . . 0.0 112.812 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . 0.31 17.8 m 59.27 163.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 129.804 3.242 . . . . 0.0 116.246 -177.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 110.51 132.53 6.23 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.86 1.695 . . . . 0.0 110.63 -164.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 43.1 m -134.36 162.52 31.98 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.894 1.278 . . . . 0.0 112.981 -165.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -66.16 153.72 41.65 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.678 1.191 . . . . 0.0 113.304 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -149.6 -47.33 0.14 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.741 2.016 . . . . 0.0 111.43 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 1.4 p -143.01 134.5 26.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.696 1.598 . . . . 0.0 114.814 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 51.48 -173.04 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 127.692 2.397 . . . . 0.0 116.839 166.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 54.7 p -51.63 151.82 3.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.154 1.782 . . . . 0.0 113.006 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.06 -179.86 6.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.353 0.661 . . . . 0.0 112.44 -167.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -97.09 177.22 5.66 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.174 -0.954 . . . . 0.0 112.758 167.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.4 p -148.77 140.92 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.959 1.704 . . . . 0.0 110.594 167.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -83.75 143.58 29.91 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.606 1.162 . . . . 0.0 110.956 172.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.2 t -68.57 120.5 14.69 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.199 0.523 . . . . 0.0 109.943 160.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -67.72 -9.99 48.58 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.36 1.464 . . . . 0.0 113.948 172.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -105.18 -27.35 11.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.488 1.115 . . . . 0.0 112.874 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 68.0 m -104.59 -113.21 0.24 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.837 1.655 . . . . 0.0 110.436 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 47.4 p90 179.29 -16.79 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 1 C-N-CA 132.0 4.12 . . . . 0.0 110.435 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . 0.483 ' HE3' ' SG ' ' A' ' 893' ' ' CYS . 0.1 OUTLIER -40.45 148.62 0.09 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.057 2.943 . . . . 0.0 112.907 164.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . 0.4 ' CZ3' ' HE3' ' B' ' 4' ' ' MLZ . 74.0 m95 -117.9 157.76 26.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.895 1.278 . . . . 0.0 113.305 -174.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -146.27 139.02 25.46 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.96 1.304 . . . . 0.0 111.594 171.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 124.57 27.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.849 1.66 . . . . 0.0 109.453 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 37.0 pt -129.71 156.18 79.23 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.669 2.388 . . . . 0.0 111.467 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.95 151.23 73.64 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 121.501 1.467 . . . . 0.0 111.372 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.19 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.13 -24.79 68.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.276 -0.89 . . . . 0.0 112.684 174.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 86.7 t -89.34 -38.91 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.125 0.97 . . . . 0.0 110.727 172.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.42 -22.21 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.037 0.835 . . . . 0.0 112.744 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.96 -17.94 68.73 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.835 1.207 . . . . 0.0 114.346 172.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -90.94 -39.91 12.0 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.329 1.451 . . . . 0.0 112.409 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.5 118.27 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.278 1.431 . . . . 0.0 109.907 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -92.43 165.96 12.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.725 1.61 . . . . 0.0 112.473 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -54.45 -43.51 71.7 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.286 -0.884 . . . . 0.0 111.833 171.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 35.9 m -82.26 7.3 14.18 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.012 1.725 . . . . 0.0 114.514 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 8.6 t -73.27 -176.45 2.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.542 1.137 . . . . 0.0 113.151 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -138.19 53.85 1.8 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.77 2.028 . . . . 0.0 112.091 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -70.76 128.17 35.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.0 pt -141.08 164.21 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.837 0.855 . . . . 0.0 112.265 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . 0.483 ' SG ' ' HE3' ' A' ' 873' ' ' LYS . 13.6 m -48.14 -45.95 33.81 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.906 0.882 . . . . 0.0 112.798 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.25 -13.97 62.48 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.798 -1.189 . . . . 0.0 113.91 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -12.37 28.62 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.746 1.618 . . . . 0.0 113.213 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.92 135.47 48.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.207 1.403 . . . . 0.0 112.732 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 14.6 m -58.05 -41.88 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.835 1.254 . . . . 0.0 113.708 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -85.21 98.59 10.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.204 1.002 . . . . 0.0 111.795 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.84 -18.09 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.551 1.94 . . . . 0.0 113.945 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.29 -24.38 65.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.504 1.522 . . . . 0.0 113.407 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -132.17 14.16 4.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.953 1.301 . . . . 0.0 113.882 -174.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.7 40.09 1.01 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.938 2.095 . . . . 0.0 114.519 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.61 146.59 36.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.127 1.371 . . . . 0.0 110.553 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 75.6 m -61.31 -10.22 6.66 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.358 1.063 . . . . 0.0 112.943 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 34.9 m -93.31 -16.68 24.44 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.171 1.388 . . . . 0.0 113.439 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 9.0 mmpt? -79.41 177.02 9.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 87.5 p -97.41 -164.97 1.2 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.86 2.864 . . . . 0.0 113.123 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -150.31 167.49 26.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.04 1.736 . . . . 0.0 111.182 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.82 -34.81 68.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -146.81 135.08 21.74 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.548 1.539 . . . . 0.0 111.241 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 5.6 p -65.19 162.01 18.05 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.434 1.015 . . . . 0.0 112.811 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -66.09 -22.66 66.41 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -168.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -77.86 -5.61 51.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.915 1.286 . . . . 0.0 113.947 170.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -108.73 -45.3 3.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.991 1.716 . . . . 0.0 111.231 171.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.272 1.0 OUTLIER -78.85 14.96 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 123.608 1.671 . . . . 0.0 115.23 174.563 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -107.29 -35.77 6.72 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 120.495 -1.378 . . . . 0.0 112.825 156.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.81 -32.65 73.35 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.685 1.594 . . . . 0.0 113.478 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.45 -30.27 68.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.642 0.777 . . . . 0.0 112.563 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.91 -30.78 10.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.706 1.202 . . . . 0.0 112.852 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.8 7.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.279 1.419 . . . . 0.0 113.303 -176.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 50.1 pt -107.59 166.82 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 126.073 1.749 . . . . 0.0 112.818 -172.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -112.18 56.21 0.48 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.994 1.759 . . . . 0.0 114.274 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 167.57 9.48 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 122.165 0.983 . . . . 0.0 112.624 175.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -65.52 -21.81 66.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.345 1.458 . . . . 0.0 114.232 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 62.47 -67.24 0.08 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.521 3.128 . . . . 0.0 113.677 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -75.9 -53.41 8.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.246 1.418 . . . . 0.0 111.573 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 11.6 t0 51.5 18.8 0.72 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.201 1.801 . . . . 0.0 114.755 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.324 1.849 . . . . 0.0 112.377 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 119.871 -0.109 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.02 173.82 7.03 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 163.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.1 t -157.02 -159.79 0.89 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.589 0.756 . . . . 0.0 112.663 169.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.4 ' HE3' ' CZ3' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.71 97.47 3.79 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.136 -0.978 . . . . 0.0 113.16 -178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -45.46 77.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -166.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 51.53 27.65 4.02 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.776 1.23 . . . . 0.0 114.309 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -162.66 125.49 2.81 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.278 2.631 . . . . 0.0 107.886 -169.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.214 1.406 . . . . 0.0 113.316 -165.473 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 8.5 t 58.31 -173.12 0.09 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.384 1.474 . . . . 0.0 113.235 -167.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -67.91 -15.59 63.69 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.9 1.68 . . . . 0.0 114.115 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 63.8 151.82 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 128.257 2.623 . . . . 0.0 113.96 -169.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -91.4 158.5 16.48 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.811 1.244 . . . . 0.0 112.523 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 9.3 p -166.31 155.44 11.29 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.0 m -143.74 162.14 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.499 1.92 . . . . 0.0 110.956 170.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -78.75 51.45 3.76 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.019 1.771 . . . . 0.0 115.436 -171.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 48.8 m -65.61 141.57 58.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.843 1.257 . . . . 0.0 112.217 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -148.76 151.58 35.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.34 1.456 . . . . 0.0 112.24 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -152.93 -46.22 0.1 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.327 1.451 . . . . 0.0 113.075 -175.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 15.1 t -136.47 -151.68 0.42 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.215 1.406 . . . . 0.0 112.766 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.56 163.04 1.94 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.756 2.422 . . . . 0.0 114.475 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 43.3 m -33.18 131.33 0.19 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 127.109 2.163 . . . . 0.0 114.175 171.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -113.83 -172.27 2.05 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.944 0.898 . . . . 0.0 111.973 -160.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -101.41 172.67 6.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.721 0.772 . . . . 0.0 111.908 170.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -146.61 141.81 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.665 1.586 . . . . 0.0 109.691 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.29 148.22 22.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.907 0.883 . . . . 0.0 111.106 175.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.79 124.15 23.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.07 0.462 . . . . 0.0 111.296 164.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.54 -4.67 12.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.405 1.482 . . . . 0.0 113.876 166.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -122.33 -16.31 7.41 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.045 1.293 . . . . 0.0 114.12 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.274 17.0 p -124.73 -110.78 0.31 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.283 1.033 . . . . 0.0 110.992 155.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -169.52 -2.13 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.605 2.362 . . . . 0.0 115.561 -173.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -53.36 153.39 3.99 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.841 1.656 . . . . 0.0 112.507 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -108.64 149.0 29.55 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.362 1.065 . . . . 0.0 113.008 170.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -131.68 133.38 44.82 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.586 1.554 . . . . 0.0 110.63 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -72.31 124.14 24.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.496 1.119 . . . . 0.0 109.781 169.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -132.55 153.35 81.12 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 125.793 1.637 . . . . 0.0 111.581 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 147.03 70.45 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.699 1.599 . . . . 0.0 112.189 171.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -54.97 -17.97 4.43 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.194 1.398 . . . . 0.0 114.142 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.0 m -59.24 -26.28 64.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.345 1.458 . . . . 0.0 113.282 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -27.12 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 2.6 m -59.53 -29.88 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.891 0.769 . . . . 0.0 112.573 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -84.07 1.85 88.31 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.183 1.849 . . . . 0.0 115.005 173.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 27.6 t -123.96 -25.3 4.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.584 1.954 . . . . 0.0 113.132 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.26 126.97 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 121.263 -0.898 . . . . 0.0 109.152 166.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -143.61 171.08 14.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.355 2.662 . . . . 0.0 109.357 175.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.1 -18.3 63.25 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 120.301 1.41 . . . . 0.0 114.062 172.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 34.1 t -64.91 -25.93 68.09 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.102 -0.999 . . . . 0.0 112.312 167.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 22.8 t -95.78 169.57 9.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.968 2.107 . . . . 0.0 110.995 162.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -140.01 109.24 6.12 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.913 -1.117 . . . . 0.0 109.229 159.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -83.28 134.34 34.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.903 1.681 . . . . 0.0 110.184 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -139.85 162.79 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.054 -1.029 . . . . 0.0 113.071 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.8 m -50.23 -42.1 51.11 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.322 1.049 . . . . 0.0 113.554 174.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 46.5 tpp -67.62 -22.26 65.35 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.122 1.328 . . . . 0.0 113.022 -177.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -13.15 49.93 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.467 1.507 . . . . 0.0 113.229 174.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.2 134.36 49.63 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.976 1.311 . . . . 0.0 112.908 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 49.3 m -56.59 -42.69 79.13 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.415 1.486 . . . . 0.0 113.74 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.54 98.51 10.17 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.037 0.935 . . . . 0.0 111.904 -173.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.55 -19.68 50.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.891 1.676 . . . . 0.0 113.696 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -65.67 -25.92 67.56 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.876 1.671 . . . . 0.0 113.527 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.05 5.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -172.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -79.7 40.69 0.46 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.59 2.756 . . . . 0.0 115.006 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -145.71 151.47 38.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.986 0.914 . . . . 0.0 110.685 163.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.2 -14.18 3.9 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 124.336 1.054 . . . . 0.0 112.099 165.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 48.8 m -94.75 -19.44 20.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.206 1.402 . . . . 0.0 113.036 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.71 175.88 8.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.703 0.801 . . . . 0.0 113.103 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 97.0 p -82.93 -168.03 1.9 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.567 2.347 . . . . 0.0 113.935 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -153.22 164.0 38.87 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.688 2.795 . . . . 0.0 109.247 169.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -68.35 -30.18 69.08 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.71 -1.244 . . . . 0.0 113.76 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.3 mtt -144.88 125.85 14.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.841 0.856 . . . . 0.0 110.97 175.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -62.5 159.99 14.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.59 -29.78 64.76 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -165.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.49 -3.91 59.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.264 1.826 . . . . 0.0 115.04 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -103.67 -37.13 7.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.02 1.728 . . . . 0.0 113.014 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 915' ' ' ILE . . . . . 0.454 HG13 HCM3 ' B' ' 4' ' ' MLZ . 1.5 tp -63.72 -55.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.956 1.253 . . . . 0.0 110.638 174.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -53.95 -29.82 44.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.938 -1.101 . . . . 0.0 113.486 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.23 -34.81 78.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.884 1.674 . . . . 0.0 114.258 171.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -65.77 -37.14 85.51 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.001 0.819 . . . . 0.0 112.125 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.3 -28.86 47.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.102 0.961 . . . . 0.0 112.361 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.33 36.9 6.82 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.66 1.6 . . . . 0.0 113.547 178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 27.9 pt -136.43 171.35 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.201 1.8 . . . . 0.0 112.407 -168.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -90.77 -32.83 8.82 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.324 0.964 . . . . 0.0 114.748 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 65.53 157.88 0.1 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.37 2.268 . . . . 0.0 115.829 -162.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.09 -36.43 83.17 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 113.791 -1.55 . . . . 0.0 113.179 -170.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -69.25 -33.91 73.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.465 0.706 . . . . 0.0 112.42 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -78.38 -42.13 31.2 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.863 1.265 . . . . 0.0 112.605 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -77.28 6.81 6.06 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.215 1.806 . . . . 0.0 113.804 179.118 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.765 -0.087 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -40.3 133.53 1.81 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.097 2.159 . . . . 0.0 111.846 175.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t -153.72 -171.18 3.81 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' MLZ . . . . . 0.454 HCM3 HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -139.26 111.25 7.33 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.261 1.024 . . . . 0.0 112.467 -173.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -63.69 131.83 49.16 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.464 1.106 . . . . 0.0 111.647 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.81 7.13 7.54 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.721 1.208 . . . . 0.0 113.618 172.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -151.41 118.64 5.94 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 127.076 2.15 . . . . 0.0 109.96 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 30.3 t80 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.744 -1.122 . . . . 0.0 112.101 174.252 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -120.59 -178.57 3.74 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.592 1.557 . . . . 0.0 112.807 -160.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 865' ' ' TRP . . . . . 0.422 ' CZ2' ' HD3' ' A' ' 876' ' ' ARG . 71.1 m95 -102.67 173.03 6.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.503 0.668 . . . . 0.0 111.472 160.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.98 143.15 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.293 1.437 . . . . 0.0 110.415 164.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.48 144.51 25.49 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.345 1.458 . . . . 0.0 110.887 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.99 125.61 27.33 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.15 0.5 . . . . 0.0 111.045 162.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -82.32 1.49 36.74 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 168.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -103.01 -28.67 11.86 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.178 -0.951 . . . . 0.0 112.519 174.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.262 16.5 p -121.46 -110.15 0.34 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.269 1.428 . . . . 0.0 110.632 159.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.61 -6.2 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.337 2.255 . . . . 0.0 115.888 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.598 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.1 tmmm? -47.91 149.92 1.24 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.957 2.103 . . . . 0.0 112.541 171.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -112.21 153.8 26.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.023 0.929 . . . . 0.0 113.374 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.98 138.6 30.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.961 1.304 . . . . 0.0 110.759 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 876' ' ' ARG . . . . . 0.422 ' HD3' ' CZ2' ' A' ' 865' ' ' TRP . 8.1 tpt180 -77.92 128.83 34.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.562 1.145 . . . . 0.0 109.751 174.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.54 155.1 81.9 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 125.494 1.518 . . . . 0.0 111.998 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -67.25 149.76 81.44 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 121.416 1.411 . . . . 0.0 110.68 164.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.01 46.62 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.1 m -62.46 -25.47 68.0 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.092 -1.005 . . . . 0.0 112.688 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.8 t -86.45 -38.8 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.829 0.852 . . . . 0.0 110.631 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -20.41 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.9 0.773 . . . . 0.0 112.753 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.12 -18.32 65.17 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.897 1.236 . . . . 0.0 114.269 170.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -89.57 -41.69 11.85 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 112.082 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.543 0.675 0 C-N-CA 125.556 1.543 . . . . 0.0 109.043 175.238 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 121.603 0.716 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -82.35 131.72 35.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.149 174.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.9 pt -140.98 162.91 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.168 0.987 . . . . 0.0 112.09 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.598 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.8 m -50.18 -45.69 53.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -62.59 -26.0 68.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.755 1.161 . . . . 0.0 112.442 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -13.44 52.5 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.643 1.577 . . . . 0.0 113.49 176.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -54.58 137.95 42.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.009 1.324 . . . . 0.0 112.881 -172.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 68.7 m -55.36 -44.39 75.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.252 1.421 . . . . 0.0 113.83 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -91.02 102.66 15.43 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.536 1.134 . . . . 0.0 112.079 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -59.99 -19.31 51.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.944 1.698 . . . . 0.0 113.86 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -67.19 -24.03 65.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.725 1.61 . . . . 0.0 113.033 172.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -127.68 3.44 6.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.23 41.14 0.59 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.043 2.537 . . . . 0.0 114.94 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.55 150.96 33.07 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.103 1.361 . . . . 0.0 111.83 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.7 m -57.02 -21.52 31.6 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.674 1.59 . . . . 0.0 112.283 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 59.9 m -89.65 -17.55 28.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.381 1.472 . . . . 0.0 113.481 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.0 170.75 16.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.747 0.819 . . . . 0.0 113.098 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -83.31 -163.12 0.7 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.31 1.444 . . . . 0.0 112.457 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -149.25 166.26 29.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.256 1.823 . . . . 0.0 112.459 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -67.21 -30.14 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -153.94 130.65 10.78 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.744 1.618 . . . . 0.0 110.163 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -63.69 155.75 29.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.509 0.723 . . . . 0.0 111.318 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -59.33 -34.0 71.82 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -163.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -80.41 -11.6 59.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.439 1.496 . . . . 0.0 114.265 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -93.02 -44.57 8.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.588 1.555 . . . . 0.0 111.113 172.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.5 tp -65.4 -53.53 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.441 0.564 . . . . 0.0 111.742 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -56.03 -29.74 60.87 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 120.359 -1.463 . . . . 0.0 113.41 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -70.5 -35.3 73.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.264 1.826 . . . . 0.0 114.321 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.87 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.484 1.113 . . . . 0.0 112.361 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.93 -34.78 51.12 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.815 0.846 . . . . 0.0 112.097 171.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.07 5.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.639 1.59 . . . . 0.0 113.168 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.1 pt . . . . . 0 N--CA 1.477 0.916 0 C-N-CA 125.565 1.546 . . . . 0.0 113.488 -166.489 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.479 ' N ' HE21 ' B' ' 5' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.403 0 CA-C-O 122.392 1.092 . . . . 0.0 113.608 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 C-N-CA 126.965 2.106 . . . . 0.0 114.415 -170.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 CA--C 1.534 0.362 0 CA-C-O 120.888 0.375 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -147.17 178.91 8.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.556 1.142 . . . . 0.0 111.053 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -97.08 175.38 6.33 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.9 -1.125 . . . . 0.0 114.014 170.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.3 p -151.45 143.19 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 127.068 2.147 . . . . 0.0 110.03 168.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -93.13 137.26 32.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.24 1.016 . . . . 0.0 111.526 171.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 123.35 19.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.963 0.905 . . . . 0.0 111.643 170.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.65 -16.42 60.93 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.076 1.351 . . . . 0.0 114.116 171.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -101.55 -15.77 16.99 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.719 1.145 . . . . 0.0 113.518 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.32 -106.39 0.37 Allowed 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.941 1.696 . . . . 0.0 111.535 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 52.3 p90 169.46 -18.88 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.983 1 C-N-CA 133.322 4.649 . . . . 0.0 108.967 -167.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.462 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -37.71 137.05 0.49 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.707 2.803 . . . . 0.0 111.825 167.501 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -103.11 155.27 18.52 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.461 1.104 . . . . 0.0 111.398 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -146.28 133.94 21.06 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.152 0.981 . . . . 0.0 110.88 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -84.95 108.78 17.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.393 1.477 . . . . 0.0 109.186 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 45.0 pt -110.94 156.04 41.45 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 128.287 2.635 . . . . 0.0 110.943 -174.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.97 147.58 80.44 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 121.186 1.257 . . . . 0.0 110.939 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.35 -21.78 16.68 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.2 m -62.61 -24.99 67.86 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.203 -0.936 . . . . 0.0 112.606 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.29 -38.37 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.172 0.989 . . . . 0.0 110.864 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -23.35 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.02 0.827 . . . . 0.0 112.586 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -80.35 -19.85 68.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.599 1.095 . . . . 0.0 114.292 172.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.8 t -88.33 -41.48 12.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 125.401 1.48 . . . . 0.0 110.496 179.781 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 121.87 0.843 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -72.28 130.53 41.0 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.935 0.894 . . . . 0.0 110.024 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.8 pt -140.35 163.71 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.846 0.858 . . . . 0.0 112.762 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.462 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 17.9 m -48.53 -44.01 35.91 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.022 0.929 . . . . 0.0 113.176 175.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.72 -24.59 67.75 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.941 1.246 . . . . 0.0 113.098 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -11.22 46.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.569 1.548 . . . . 0.0 113.506 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -53.55 137.18 37.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.168 1.387 . . . . 0.0 113.031 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.6 m -55.59 -44.86 77.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.082 1.353 . . . . 0.0 113.834 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.95 102.26 14.96 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.877 1.271 . . . . 0.0 112.086 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -60.74 -17.47 48.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.069 1.748 . . . . 0.0 114.006 -174.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.21 -23.25 66.4 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.555 1.542 . . . . 0.0 113.649 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -131.09 7.08 4.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 114.746 -173.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -86.56 42.01 0.98 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.109 2.163 . . . . 0.0 114.193 -167.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.13 146.21 36.74 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.942 1.297 . . . . 0.0 110.701 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.42 -16.55 37.01 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.299 1.04 . . . . 0.0 112.349 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.6 m -92.24 -16.72 25.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.441 1.497 . . . . 0.0 113.75 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 906' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 4.8 mmpt? -78.7 171.44 15.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 122.787 1.279 . . . . 0.0 113.862 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 98.2 p -78.88 -165.26 0.71 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 128.508 2.723 . . . . 0.0 112.571 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -147.16 173.46 12.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.802 1.641 . . . . 0.0 112.23 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -29.28 70.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.591 1.156 . . . . 0.0 113.228 -174.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 59.0 mtt -158.98 136.31 9.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.149 2.179 . . . . 0.0 110.091 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.4 m -62.2 154.75 26.47 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.109 1.322 . . . . 0.0 111.158 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -56.77 -35.69 68.96 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.627 -0.67 . . . . 0.0 112.652 -169.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.23 -11.27 59.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.278 1.431 . . . . 0.0 114.074 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -99.55 -37.97 8.95 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.711 1.605 . . . . 0.0 112.321 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -56.23 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 119.154 0.888 . . . . 0.0 111.416 173.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -51.4 -32.14 25.18 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 119.88 1.218 . . . . 0.0 113.671 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.29 -37.95 78.97 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.195 2.198 . . . . 0.0 114.355 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.37 -40.71 98.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.259 1.424 . . . . 0.0 112.72 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 919' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 919' ' ' LEU . 1.6 mp -85.96 -24.43 26.52 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.543 0.737 . . . . 0.0 111.984 174.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.52 40.57 4.42 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.361 1.457 . . . . 0.0 113.184 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 126.34 1.856 . . . . 0.0 111.972 -172.19 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.477 0.914 0 C-N-CA 124.426 1.091 . . . . 0.0 112.88 -179.569 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 121.578 0.704 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -128.49 -174.13 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.909 1.284 . . . . 0.0 111.45 -152.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -104.94 172.58 6.71 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 169.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.8 p -147.55 144.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.503 1.921 . . . . 0.0 110.263 168.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -87.03 139.3 30.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.036 0.934 . . . . 0.0 110.816 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.46 126.01 29.22 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.344 0.657 . . . . 0.0 111.439 170.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -64.22 -29.62 70.71 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -85.23 -51.44 6.61 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.887 0.875 . . . . 0.0 111.185 -170.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.297 17.0 p -92.26 -104.09 0.11 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.328 0.651 . . . . 0.0 110.578 165.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 872' ' ' PHE . . . . . 0.4 ' H ' ' H ' ' A' ' 873' ' ' LYS . 38.7 p90 -177.12 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.563 2.745 . . . . 0.0 114.243 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.4 ' H ' ' H ' ' A' ' 872' ' ' PHE . 17.7 ttpt -45.73 150.53 0.51 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.135 2.174 . . . . 0.0 113.651 176.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -95.1 148.58 22.21 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.277 0.631 . . . . 0.0 111.972 168.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -139.79 135.16 32.76 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 111.104 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -76.72 131.79 38.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.7 pt -136.17 157.91 74.71 Favored Pre-proline 0 N--CA 1.473 0.684 0 C-N-CA 127.01 2.124 . . . . 0.0 111.62 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -66.69 148.8 83.57 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 121.452 1.435 . . . . 0.0 111.164 165.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.17 -20.85 57.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.43 -25.2 68.17 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.266 -0.896 . . . . 0.0 112.689 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.99 -37.3 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.703 0.801 . . . . 0.0 110.479 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -17.99 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.134 0.879 . . . . 0.0 113.125 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.99 -19.69 62.54 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.552 1.072 . . . . 0.0 114.101 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -87.96 -45.55 10.13 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.006 1.323 . . . . 0.0 112.219 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.473 0.693 0 C-N-CA 125.428 1.491 . . . . 0.0 108.61 178.673 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -143.8 134.72 25.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.748 2.019 . . . . 0.0 112.699 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 23.5 pt -141.09 162.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.598 1.159 . . . . 0.0 112.515 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 65.4 m -49.09 -43.76 41.51 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.003 0.921 . . . . 0.0 113.479 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.9 tpp -62.13 -25.25 67.63 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.349 1.431 . . . . 0.0 112.827 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -11.28 50.01 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.769 1.628 . . . . 0.0 113.747 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -52.69 135.44 35.05 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.487 1.515 . . . . 0.0 112.982 -173.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 50.9 m -52.79 -43.4 65.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.11 1.764 . . . . 0.0 114.091 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.93 105.56 17.91 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.112 0.965 . . . . 0.0 112.35 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -59.94 -16.11 27.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.298 1.839 . . . . 0.0 113.382 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.45 67.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.643 1.977 . . . . 0.0 112.542 171.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -139.78 21.17 2.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.39 1.476 . . . . 0.0 113.496 -173.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.56 41.01 1.04 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.886 1.674 . . . . 0.0 114.261 -172.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -147.13 146.75 30.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.791 1.636 . . . . 0.0 110.607 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 70.8 m -56.67 -26.02 55.35 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 121.574 -0.704 . . . . 0.0 111.62 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.6 m -83.66 -19.39 35.46 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.948 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -72.92 176.3 5.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.377 1.071 . . . . 0.0 113.303 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 10.0 t -80.52 -162.09 0.43 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.726 1.21 . . . . 0.0 112.023 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -150.57 163.74 37.72 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.438 1.895 . . . . 0.0 111.241 173.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.29 -31.16 72.24 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.8 mtt -154.3 131.68 11.23 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.757 1.623 . . . . 0.0 110.377 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.17 159.21 15.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 0.0 111.178 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.08 -29.53 70.66 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.037 -1.04 . . . . 0.0 112.289 -169.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -74.92 -7.36 53.33 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.379 1.472 . . . . 0.0 114.382 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -105.32 -43.63 4.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 111.025 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.38 7.7 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 120.01 -1.681 . . . . 0.0 112.918 156.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.98 -34.14 77.42 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.192 1.397 . . . . 0.0 113.867 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -63.23 -33.0 74.55 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.44 -27.68 15.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.049 0.94 . . . . 0.0 112.285 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 92.94 31.92 8.27 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.107 1.337 . . . . 0.0 113.107 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 48.8 pt . . . . . 0 N--CA 1.471 0.596 0 C-N-CA 126.369 1.867 . . . . 0.0 112.062 -175.153 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 125.24 1.416 . . . . 0.0 112.588 -179.637 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 82.2 p . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 122.543 1.163 . . . . 0.0 113.805 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.44 -175.93 3.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.198 1.399 . . . . 0.0 111.128 -165.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -105.61 176.67 5.09 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.49 -0.756 . . . . 0.0 112.599 171.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.86 140.04 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 110.746 165.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 867' ' ' ARG . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 16.8 ttt85 -93.02 140.17 29.76 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.895 1.278 . . . . 0.0 110.231 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.8 t -68.42 128.37 36.35 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.908 0.883 . . . . 0.0 112.981 172.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.1 -13.91 62.42 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 169.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -99.54 -27.2 13.82 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.59 1.086 . . . . 0.0 112.793 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 16.6 p -123.74 -103.2 0.38 Allowed 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 124.819 1.248 . . . . 0.0 111.867 165.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -175.08 -11.13 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.195 2.598 . . . . 0.0 114.509 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.551 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 1.8 tmmm? -48.1 146.94 2.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.854 2.062 . . . . 0.0 112.85 175.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 874' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 867' ' ' ARG . 89.5 m95 -102.59 151.14 22.68 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.057 0.943 . . . . 0.0 113.232 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.58 135.38 28.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.997 1.319 . . . . 0.0 110.58 174.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -76.52 127.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.833 1.253 . . . . 0.0 109.639 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 36.6 pt -131.04 153.96 81.9 Favored Pre-proline 0 N--CA 1.471 0.622 0 C-N-CA 125.971 1.708 . . . . 0.0 111.667 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -67.88 150.81 78.59 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.231 1.287 . . . . 0.0 110.533 165.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.89 -22.78 27.52 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -60.58 -28.8 68.76 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.742 1.217 . . . . 0.0 112.563 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 89.3 t -86.63 -38.46 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -19.47 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.115 0.871 . . . . 0.0 112.887 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.12 -23.26 38.48 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 125.13 1.348 . . . . 0.0 114.436 169.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.7 t -80.74 -37.87 29.73 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.786 1.235 . . . . 0.0 112.174 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 125.733 1.613 . . . . 0.0 107.486 169.601 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.973 0.416 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -77.51 132.39 38.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.426 0.691 . . . . 0.0 109.672 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.7 pt -139.68 162.1 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.844 0.857 . . . . 0.0 112.852 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.551 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.5 m -49.88 -41.88 46.51 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.489 1.116 . . . . 0.0 113.964 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.01 -31.52 70.01 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.918 1.236 . . . . 0.0 112.214 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -11.37 57.12 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.922 1.689 . . . . 0.0 113.382 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -53.31 138.0 33.58 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.201 1.4 . . . . 0.0 113.011 -172.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -53.13 -43.65 67.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.263 1.425 . . . . 0.0 114.172 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.37 103.99 15.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.983 1.313 . . . . 0.0 111.692 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.74 -20.94 59.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.653 1.581 . . . . 0.0 113.611 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -67.2 -23.76 65.78 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.882 1.673 . . . . 0.0 114.018 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -124.85 5.29 8.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.321 1.448 . . . . 0.0 114.359 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.95 41.37 0.74 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.785 2.434 . . . . 0.0 114.706 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.11 152.89 36.93 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.217 1.007 . . . . 0.0 111.895 164.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 65.3 m -56.41 -19.02 13.0 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.284 1.833 . . . . 0.0 112.274 171.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.9 m -89.32 -20.45 24.03 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.716 1.606 . . . . 0.0 112.383 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -80.93 173.5 12.55 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.392 1.091 . . . . 0.0 113.426 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 90.5 p -82.48 -166.67 1.34 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.582 2.353 . . . . 0.0 113.339 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -149.01 166.18 29.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.827 2.051 . . . . 0.0 110.932 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.37 -33.62 76.28 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 25.0 mmt -150.37 131.94 14.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.92 1.688 . . . . 0.0 111.169 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.2 m -62.2 160.93 12.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.106 0.963 . . . . 0.0 111.381 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -22.89 63.21 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.76 -1.212 . . . . 0.0 112.37 -167.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.45 -19.19 62.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.079 1.351 . . . . 0.0 113.483 168.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -97.41 -45.06 6.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.254 1.421 . . . . 0.0 111.72 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.287 1.4 tp -79.2 15.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.699 1.741 . . . . 0.0 115.699 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.9 p30 -106.43 -34.99 7.24 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.513 -1.367 . . . . 0.0 112.916 154.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -68.24 -32.59 72.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.455 . . . . 0.0 113.956 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -61.12 -30.26 70.27 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.945 0.898 . . . . 0.0 112.506 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.55 -33.72 10.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.358 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.74 40.38 4.41 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.137 1.351 . . . . 0.0 112.862 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 45.2 pt . . . . . 0 N--CA 1.474 0.763 0 C-N-CA 126.264 1.826 . . . . 0.0 112.265 -174.323 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.619 0.723 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.451 1.5 . . . . 0.0 114.472 -170.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -142.84 176.95 8.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.992 0.917 . . . . 0.0 112.671 -159.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 865' ' ' TRP . . . . . 0.418 ' HE1' ' HG1' ' B' ' 6' ' ' THR . 72.6 m95 -88.2 170.41 11.05 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.766 -1.209 . . . . 0.0 113.713 175.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.22 142.64 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 109.39 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -89.66 142.2 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.227 1.411 . . . . 0.0 111.534 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 53.3 t -67.1 122.78 18.56 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.254 0.622 . . . . 0.0 111.512 165.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.52 -11.88 61.09 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -97.74 -28.21 13.99 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.426 1.012 . . . . 0.0 113.023 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.296 12.1 p -127.53 -96.76 0.41 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.645 1.178 . . . . 0.0 112.129 170.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -165.84 -17.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.141 2.176 . . . . 0.0 114.133 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.13 134.32 0.82 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.047 2.139 . . . . 0.0 113.383 -175.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -102.74 147.69 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.677 0.791 . . . . 0.0 111.247 -176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -144.67 137.2 26.45 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.44 1.496 . . . . 0.0 110.335 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.69 119.36 25.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.4 1.08 . . . . 0.0 109.592 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.1 pt -121.34 158.15 54.12 Favored Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 127.692 2.397 . . . . 0.0 110.554 -173.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.22 147.66 73.03 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 120.863 1.042 . . . . 0.0 111.819 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -48.94 -30.99 6.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.988 1.715 . . . . 0.0 114.644 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.6 m -58.23 -27.59 64.08 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.07 1.348 . . . . 0.0 112.844 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 6.2 t -97.73 -30.72 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.308 -0.854 . . . . 0.0 111.933 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -26.22 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 120.19 1.359 . . . . 0.0 112.594 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.59 -15.91 69.78 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 124.49 1.043 . . . . 0.0 114.979 170.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 31.1 t -90.0 -38.22 13.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.491 1.516 . . . . 0.0 112.303 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.468 0.436 0 C-N-CA 125.381 1.472 . . . . 0.0 110.055 166.324 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -88.36 128.8 35.51 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.9 163.48 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.974 0.91 . . . . 0.0 111.934 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 60.0 m -49.26 -45.24 44.53 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -20.6 66.57 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.774 1.17 . . . . 0.0 112.954 -175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -12.37 42.74 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.016 1.726 . . . . 0.0 113.28 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.92 133.27 43.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.845 1.258 . . . . 0.0 112.485 -173.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 5.7 m -58.1 -38.75 77.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 113.279 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -87.83 96.16 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.297 1.046 . . . . 0.0 110.987 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.51 -16.61 38.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.393 1.877 . . . . 0.0 113.865 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -67.98 -23.7 65.06 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.393 1.877 . . . . 0.0 113.407 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.84 14.7 4.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.339 1.456 . . . . 0.0 113.14 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.47 38.44 0.9 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.489 1.916 . . . . 0.0 114.251 -167.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.34 147.6 33.67 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.42 1.488 . . . . 0.0 110.415 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.5 -18.28 27.81 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 124.46 1.104 . . . . 0.0 112.349 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 23.8 m -88.75 -22.03 23.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.934 1.694 . . . . 0.0 112.971 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -77.65 173.15 12.36 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.618 1.199 . . . . 0.0 113.421 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 95.6 p -83.25 -169.5 2.57 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.227 2.611 . . . . 0.0 112.813 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -147.44 170.09 18.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.422 1.889 . . . . 0.0 111.191 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -33.84 64.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.416 1.086 . . . . 0.0 113.668 -176.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.6 mtt -152.6 135.86 15.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.246 1.419 . . . . 0.0 111.174 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.7 m -61.31 155.12 22.02 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.256 0.934 . . . . 0.0 110.677 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.82 -36.75 72.68 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.857 0.463 . . . . 0.0 112.126 -161.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.34 -12.6 59.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.876 1.671 . . . . 0.0 114.485 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -90.73 -39.76 12.24 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.477 1.111 . . . . 0.0 111.888 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.254 1.9 tp -69.19 -55.14 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.19 0.904 . . . . 0.0 111.779 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -55.6 -28.13 53.37 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.036 -1.665 . . . . 0.0 114.041 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -63.6 -34.27 77.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.065 1.746 . . . . 0.0 114.422 169.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.98 -37.33 85.68 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.306 1.443 . . . . 0.0 112.286 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.14 -28.55 54.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.508 1.123 . . . . 0.0 112.77 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.14 35.31 7.65 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.913 1.72 . . . . 0.0 114.555 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 N--CA 1.479 1.014 0 C-N-CA 127.288 2.235 . . . . 0.0 111.295 -169.511 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.418 ' HG1' ' HE1' ' A' ' 865' ' ' TRP . 9.5 m . . . . . 0 N--CA 1.488 1.431 0 C-N-CA 128.778 2.831 . . . . 0.0 117.253 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 121.714 0.769 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.633 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -140.92 -175.55 4.35 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.316 0.646 . . . . 0.0 112.002 -162.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -97.72 174.7 6.48 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.94 148.66 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.958 2.103 . . . . 0.0 109.671 168.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 867' ' ' ARG . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 22.8 ttt85 -105.26 127.51 52.98 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.252 1.421 . . . . 0.0 110.363 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -62.32 128.15 34.69 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.947 0.899 . . . . 0.0 112.496 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.91 -18.97 62.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -92.67 -20.28 20.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.74 1.216 . . . . 0.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 64.3 m -119.31 -105.64 0.39 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.961 1.705 . . . . 0.0 110.879 174.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.1 p90 168.03 -15.58 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 1 C-N-CA 133.665 4.786 . . . . 0.0 109.024 -171.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.45 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -34.62 136.03 0.16 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.889 2.876 . . . . 0.0 112.134 167.683 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 874' ' ' TRP . . . . . 0.423 ' CZ3' ' HB2' ' A' ' 867' ' ' ARG . 89.1 m95 -95.75 148.2 22.82 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.709 0.803 . . . . 0.0 111.692 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -146.41 129.05 16.12 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.796 0.838 . . . . 0.0 112.352 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 120.62 18.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.219 2.207 . . . . 0.0 109.335 168.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.6 157.87 76.34 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.355 2.262 . . . . 0.0 111.311 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -72.12 146.79 47.13 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 121.789 1.659 . . . . 0.0 112.341 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.487 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -56.41 -21.78 27.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 72.0 p -58.61 -24.91 62.0 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.183 -0.948 . . . . 0.0 112.799 170.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.4 t -96.92 -35.31 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.487 1.515 . . . . 0.0 111.769 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 882' ' ' VAL . . . . . 0.633 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.3 m -61.66 -29.08 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.203 -0.935 . . . . 0.0 112.478 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -79.99 -15.34 79.18 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.217 1.389 . . . . 0.0 114.537 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 17.9 t -94.54 -34.83 12.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.375 1.47 . . . . 0.0 112.708 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 110.568 -179.224 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 121.88 0.847 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -74.91 130.55 39.6 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 110.392 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.0 pt -139.25 162.78 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.509 0.724 . . . . 0.0 112.776 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.45 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 18.5 m -49.13 -44.36 42.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.77 0.828 . . . . 0.0 112.829 174.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 67.6 mtm -66.57 -11.44 53.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.914 1.233 . . . . 0.0 114.115 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -9.37 23.31 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.022 1.729 . . . . 0.0 113.37 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.78 136.49 33.59 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.944 1.698 . . . . 0.0 113.204 -173.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 21.6 m -54.76 -44.97 74.11 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.21 1.404 . . . . 0.0 113.941 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -92.13 104.94 17.27 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.257 1.027 . . . . 0.0 112.289 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.13 -14.67 39.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.921 2.088 . . . . 0.0 114.082 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -63.98 -27.12 68.91 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.233 1.413 . . . . 0.0 112.624 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -135.88 18.93 3.25 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.465 1.106 . . . . 0.0 113.464 -171.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -93.81 42.96 1.1 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.494 1.917 . . . . 0.0 114.775 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -144.09 149.27 36.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.69 1.196 . . . . 0.0 110.121 164.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.69 -10.68 9.13 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.204 1.001 . . . . 0.0 112.549 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 41.1 m -91.97 -21.21 20.66 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.374 1.47 . . . . 0.0 113.154 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -77.25 171.7 14.43 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.254 1.022 . . . . 0.0 113.319 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 11.6 t -94.79 -154.11 0.41 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.039 1.735 . . . . 0.0 111.324 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.99 164.22 35.23 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.123 2.169 . . . . 0.0 111.076 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -66.4 -25.47 66.78 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -147.41 131.48 17.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.698 1.199 . . . . 0.0 110.695 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.2 m -62.79 160.12 15.1 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.975 0.807 . . . . 0.0 111.36 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -56.56 -36.17 68.98 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.325 -0.859 . . . . 0.0 112.565 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -80.1 1.11 29.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.315 1.846 . . . . 0.0 114.595 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -112.92 -38.75 4.43 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.002 2.121 . . . . 0.0 111.629 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.6 tp -67.86 -53.91 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.721 0.691 . . . . 0.0 111.151 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -52.45 -29.45 24.64 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 120.59 -1.319 . . . . 0.0 114.009 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -64.64 -32.65 74.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.287 2.235 . . . . 0.0 114.504 171.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -64.91 -42.34 94.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.981 1.313 . . . . 0.0 111.826 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.8 mp -82.78 -32.33 27.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.686 0.795 . . . . 0.0 112.111 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.47 44.95 4.48 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.383 1.468 . . . . 0.0 112.843 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 N--CA 1.474 0.775 0 C-N-CA 125.974 1.71 . . . . 0.0 112.814 -171.03 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 121.133 0.492 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 124.304 1.042 . . . . 0.0 111.641 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -137.74 173.62 11.45 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.667 1.187 . . . . 0.0 110.675 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -88.49 175.5 7.56 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.672 -1.267 . . . . 0.0 112.821 169.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -149.39 144.65 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.669 1.987 . . . . 0.0 110.539 165.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.61 142.78 28.85 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.731 1.212 . . . . 0.0 111.726 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.5 122.33 21.12 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.967 0.413 . . . . 0.0 110.021 158.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.51 -21.98 64.55 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -84.36 -44.42 13.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.899 0.88 . . . . 0.0 110.539 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 65.8 m -86.8 -112.26 0.05 Allowed 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 125.345 1.458 . . . . 0.0 110.796 169.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 15.3 p90 172.9 -12.19 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.035 1 C-N-CA 132.488 4.315 . . . . 0.0 110.485 -174.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.448 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 10.7 ttpt -40.57 150.77 0.06 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.301 2.641 . . . . 0.0 113.582 165.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -110.99 152.93 26.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 112.695 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -141.07 138.05 33.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.77 1.628 . . . . 0.0 110.44 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -79.24 128.66 33.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.81 1.244 . . . . 0.0 110.26 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 40.0 pt -134.35 160.26 69.16 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.729 2.011 . . . . 0.0 112.05 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -69.51 149.43 68.45 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 121.617 1.545 . . . . 0.0 111.824 165.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -52.45 -27.23 15.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.211 1.404 . . . . 0.0 114.517 173.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.7 m -60.27 -27.33 67.17 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.933 1.293 . . . . 0.0 112.477 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.26 -38.51 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.478 1.111 . . . . 0.0 110.904 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -22.03 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.109 0.868 . . . . 0.0 112.833 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.29 -19.36 64.72 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.822 1.201 . . . . 0.0 114.25 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.3 t -88.24 -42.56 12.19 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.994 1.317 . . . . 0.0 112.14 175.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 125.442 1.497 . . . . 0.0 110.941 178.841 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -84.72 132.48 34.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.274 0.629 . . . . 0.0 110.222 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -143.78 166.62 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.78 0.832 . . . . 0.0 112.479 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.448 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 34.4 m -48.32 -42.46 31.27 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.246 -0.909 . . . . 0.0 113.377 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.29 -24.13 66.19 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.646 1.112 . . . . 0.0 113.227 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 4.11 45.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -57.76 142.8 44.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.406 1.482 . . . . 0.0 112.73 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 70.8 m -57.85 -45.67 85.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.513 1.525 . . . . 0.0 113.94 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.42 106.41 18.48 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.818 1.247 . . . . 0.0 111.846 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.91 -23.06 60.81 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.404 1.482 . . . . 0.0 113.419 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -65.79 -22.19 66.55 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.99 1.716 . . . . 0.0 114.184 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -129.63 10.85 5.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.686 1.595 . . . . 0.0 114.026 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.22 41.37 1.03 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.361 1.864 . . . . 0.0 114.346 -170.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -142.7 146.78 34.72 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.056 1.342 . . . . 0.0 110.975 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.33 -21.51 59.88 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.55 0.74 . . . . 0.0 111.961 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.1 m -86.38 -18.37 32.0 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.475 1.51 . . . . 0.0 113.929 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 906' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 5.0 mmpt? -76.67 174.7 10.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.683 1.193 . . . . 0.0 113.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.0 t -90.93 -158.76 0.57 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.214 1.406 . . . . 0.0 112.356 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -150.99 168.52 24.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.889 2.476 . . . . 0.0 110.365 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.9 -36.88 85.79 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.036 -1.04 . . . . 0.0 112.718 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 23.6 mmt -150.03 129.84 13.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.792 1.637 . . . . 0.0 110.421 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.7 p -60.9 160.46 9.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.214 1.006 . . . . 0.0 112.628 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -61.59 -23.42 66.0 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -165.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -87.19 -5.43 58.98 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.661 1.985 . . . . 0.0 114.126 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -113.23 -33.0 6.11 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.59 1.956 . . . . 0.0 113.149 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.03 -57.09 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.653 1.115 . . . . 0.0 110.711 168.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -52.85 -29.2 26.64 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -66.09 -32.98 74.77 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.307 1.843 . . . . 0.0 114.44 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.75 -34.28 77.81 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.26 1.024 . . . . 0.0 112.274 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.1 mp -86.48 -37.86 17.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.761 0.824 . . . . 0.0 112.321 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.58 44.27 4.96 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.682 1.611 . . . . 0.0 112.878 -175.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 40.5 pt . . . . . 0 N--CA 1.476 0.846 0 C-N-CA 125.454 1.501 . . . . 0.0 113.549 -169.76 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 121.114 0.483 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 124.744 1.218 . . . . 0.0 112.1 175.706 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.47 0.557 0 CA-C-O 121.04 0.448 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.624 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -134.93 -177.09 4.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.6 0.76 . . . . 0.0 111.225 -158.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -91.71 173.06 8.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.998 -1.064 . . . . 0.0 113.258 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.16 144.45 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.31 1.844 . . . . 0.0 109.23 166.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 5.0 ttp-105 -86.61 147.08 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 172.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.98 119.01 14.48 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.488 0.661 . . . . 0.0 110.447 159.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -68.53 -4.59 15.69 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.606 1.562 . . . . 0.0 114.93 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -106.97 -29.68 9.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.941 0.897 . . . . 0.0 112.634 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.81 -114.54 0.18 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 126.051 1.74 . . . . 0.0 110.3 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -179.74 -12.37 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.116 1 C-N-CA 131.973 4.109 . . . . 0.0 110.557 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.407 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 8.9 ttpt -39.15 147.64 0.06 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.197 2.199 . . . . 0.0 113.687 166.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -111.07 150.4 29.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.261 1.024 . . . . 0.0 112.485 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -143.68 136.1 27.01 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.736 1.614 . . . . 0.0 110.098 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -76.43 131.47 39.1 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.839 0.856 . . . . 0.0 109.751 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 31.1 pt -135.85 157.84 75.21 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 126.435 1.894 . . . . 0.0 111.151 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.53 146.01 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.637 1.558 . . . . 0.0 112.266 171.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.465 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -56.35 -19.96 16.97 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.307 1.443 . . . . 0.0 114.495 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -58.93 -27.22 65.09 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.903 -1.123 . . . . 0.0 112.707 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.09 -32.7 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.464 1.506 . . . . 0.0 111.998 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 882' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.7 m -62.65 -29.73 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.182 -0.949 . . . . 0.0 112.356 -177.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.92 -15.77 74.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.217 1.389 . . . . 0.0 114.429 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 26.9 t -90.56 -33.33 15.94 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.43 1.492 . . . . 0.0 112.757 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.151 0.977 . . . . 0.0 110.759 -177.825 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 122.069 0.938 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -71.02 126.77 30.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 170.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.7 pt -141.33 164.45 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.673 0.789 . . . . 0.0 112.489 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.407 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 20.5 m -46.55 -44.83 18.25 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.972 0.909 . . . . 0.0 113.159 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -57.24 -32.01 66.12 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.893 1.224 . . . . 0.0 113.036 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -10.88 52.87 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.572 1.549 . . . . 0.0 113.69 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -53.11 139.51 28.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.474 1.51 . . . . 0.0 113.483 -172.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 75.5 m -52.6 -46.22 66.89 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.618 1.567 . . . . 0.0 114.38 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.21 105.61 17.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.776 1.23 . . . . 0.0 111.774 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.31 -23.35 56.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.67 1.588 . . . . 0.0 113.574 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.92 -23.8 66.7 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.718 1.607 . . . . 0.0 113.899 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -125.76 8.81 7.57 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.628 1.571 . . . . 0.0 113.978 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.07 45.03 1.25 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.249 1.819 . . . . 0.0 114.561 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.65 151.31 37.04 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.848 0.832 . . . . 0.0 111.772 162.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.0 -11.4 5.69 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.924 1.29 . . . . 0.0 112.446 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 39.9 m -93.53 -18.24 22.47 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.196 1.398 . . . . 0.0 113.104 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -78.02 179.29 6.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.379 1.072 . . . . 0.0 113.78 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -95.27 -157.51 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.578 1.551 . . . . 0.0 112.587 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -145.87 166.74 25.07 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.819 2.448 . . . . 0.0 110.973 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.57 -31.41 72.1 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.842 -1.161 . . . . 0.0 113.322 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.7 mtt -153.53 130.02 10.65 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.864 1.666 . . . . 0.0 110.023 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.5 m -63.19 161.55 13.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.162 0.585 . . . . 0.0 111.012 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -62.39 -30.32 71.12 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.781 -1.199 . . . . 0.0 112.649 -174.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -71.49 -10.17 59.35 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.561 1.544 . . . . 0.0 113.73 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -102.59 -48.94 3.98 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.365 172.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.79 11.14 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 123.565 1.65 . . . . 0.0 115.1 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -101.43 -37.3 8.5 Favored 'General case' 0 C--N 1.311 -1.065 0 O-C-N 120.226 -1.546 . . . . 0.0 112.068 158.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.36 -31.33 70.65 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.622 1.569 . . . . 0.0 113.73 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -62.68 -29.78 70.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.537 0.608 . . . . 0.0 112.575 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.3 mp -98.85 -30.12 12.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.387 1.075 . . . . 0.0 112.73 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 96.68 37.6 4.69 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.123 1.344 . . . . 0.0 113.286 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.8 pt . . . . . 0 N--CA 1.475 0.776 0 C-N-CA 126.635 1.974 . . . . 0.0 111.704 -176.442 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 122.152 0.977 . . . . 0.0 113.603 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 124.772 1.229 . . . . 0.0 112.143 179.645 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.693 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -142.15 -176.47 4.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.681 -153.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 865' ' ' TRP . . . . . 0.46 ' CZ2' HD13 ' A' ' 915' ' ' ILE . 73.2 m95 -95.16 177.16 5.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.312 -0.868 . . . . 0.0 111.801 169.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -146.44 140.98 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.959 1.704 . . . . 0.0 110.14 165.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -89.7 145.64 25.07 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.462 1.105 . . . . 0.0 110.077 171.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.8 125.81 26.51 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.379 0.609 . . . . 0.0 110.916 162.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -75.99 -2.6 31.34 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.859 1.663 . . . . 0.0 113.802 170.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -112.38 -29.73 7.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.145 0.978 . . . . 0.0 112.407 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 14.0 p -118.2 -112.55 0.34 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.868 1.267 . . . . 0.0 111.366 160.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -170.43 -4.06 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.297 2.239 . . . . 0.0 115.839 -169.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.586 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.4 tmmm? -53.17 149.29 7.15 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.848 1.659 . . . . 0.0 111.843 170.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -111.52 151.4 28.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.18 0.992 . . . . 0.0 112.786 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -143.78 137.02 27.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.638 1.575 . . . . 0.0 110.075 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 129.85 34.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.188 0.995 . . . . 0.0 110.532 172.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -135.65 154.85 78.43 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 126.689 1.995 . . . . 0.0 111.719 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.05 148.55 45.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.297 1.998 . . . . 0.0 112.746 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.441 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -50.95 -25.66 4.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.408 1.483 . . . . 0.0 114.955 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.2 m -56.61 -27.11 57.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.758 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.96 -34.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.083 1.353 . . . . 0.0 112.138 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 882' ' ' VAL . . . . . 0.693 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.1 m -60.28 -29.09 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.207 -0.933 . . . . 0.0 112.612 -177.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -76.07 -19.31 78.74 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.373 1.463 . . . . 0.0 114.671 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.2 t -90.01 -39.76 12.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.834 1.253 . . . . 0.0 111.975 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.479 1.511 . . . . 0.0 110.661 178.726 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.421 0.629 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -74.06 129.04 37.08 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.319 0.648 . . . . 0.0 109.725 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.32 162.37 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.312 0.645 . . . . 0.0 112.341 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.586 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 63.5 m -49.27 -43.75 43.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.72 174.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 43.0 tpp -65.9 -20.74 66.33 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.915 1.234 . . . . 0.0 113.077 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -12.71 43.62 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.724 1.61 . . . . 0.0 113.411 174.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -54.75 138.42 42.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.762 1.225 . . . . 0.0 113.096 -172.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 57.9 m -53.98 -44.49 70.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.282 1.433 . . . . 0.0 114.228 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.61 103.95 16.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.488 1.115 . . . . 0.0 111.599 -174.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.28 -23.54 56.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.509 1.524 . . . . 0.0 113.374 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -66.24 -24.52 66.6 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.001 1.721 . . . . 0.0 113.974 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -123.73 4.2 8.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.448 1.499 . . . . 0.0 114.547 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.03 43.18 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.868 2.467 . . . . 0.0 114.756 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -145.43 154.69 42.53 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.491 0.716 . . . . 0.0 111.836 163.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.05 -19.41 31.47 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.965 1.306 . . . . 0.0 111.703 165.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.1 m -93.38 -16.19 24.89 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.619 1.168 . . . . 0.0 113.547 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.05 168.91 19.14 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.063 0.945 . . . . 0.0 112.71 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -82.49 -165.07 0.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.192 1.397 . . . . 0.0 112.778 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.02 168.18 26.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.889 2.475 . . . . 0.0 110.864 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -67.3 -33.82 76.09 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.163 -0.961 . . . . 0.0 112.74 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -151.26 129.85 12.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.375 1.47 . . . . 0.0 110.842 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.4 m -65.84 161.95 19.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.872 0.869 . . . . 0.0 111.833 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.0 -17.01 61.73 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.36 -3.26 44.06 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 126.301 1.84 . . . . 0.0 114.057 173.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -114.44 -33.27 5.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.614 1.966 . . . . 0.0 113.493 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 915' ' ' ILE . . . . . 0.46 HD13 ' CZ2' ' A' ' 865' ' ' TRP . 1.3 tp -64.37 -56.18 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.037 1.29 . . . . 0.0 110.774 171.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -51.23 -31.79 21.87 Favored 'General case' 0 CA--C 1.551 1.0 0 O-C-N 120.836 -1.165 . . . . 0.0 113.696 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.52 -32.49 74.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.928 1.691 . . . . 0.0 114.353 171.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.88 -39.97 94.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.295 1.038 . . . . 0.0 111.435 174.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.92 -23.25 52.49 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.023 0.929 . . . . 0.0 112.713 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.95 34.48 8.88 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 126.08 1.8 . . . . 0.0 114.339 175.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.6 pt . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 126.075 1.75 . . . . 0.0 112.705 -166.196 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.475 0.798 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.466 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.96 -175.93 4.6 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.199 -157.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -113.58 171.4 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.084 0.954 . . . . 0.0 112.145 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.6 p -145.11 142.09 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.664 1.186 . . . . 0.0 110.031 168.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -88.23 141.09 28.83 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.813 1.245 . . . . 0.0 109.8 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.83 114.05 8.51 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.638 0.654 . . . . 0.0 109.544 162.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -64.01 -17.61 63.49 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.59 -16.75 28.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.795 0.838 . . . . 0.0 113.25 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 76.0 m -115.61 -104.75 0.4 Allowed 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 126.427 1.891 . . . . 0.0 110.222 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.4 p90 170.8 -17.41 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.001 1 C-N-CA 132.375 4.27 . . . . 0.0 109.958 -171.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -47.25 153.04 0.52 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.947 2.499 . . . . 0.0 113.19 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 874' ' ' TRP . . . . . 0.44 ' HE1' ' ND2' ' A' ' 912' ' ' ASN . 62.7 m95 -113.93 153.74 28.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.675 1.19 . . . . 0.0 112.363 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -144.38 139.96 28.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.541 1.136 . . . . 0.0 111.909 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 122.1 26.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.532 1.933 . . . . 0.0 110.023 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.77 156.54 79.97 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 125.165 1.386 . . . . 0.0 112.757 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -68.42 150.03 75.39 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 121.915 1.743 . . . . 0.0 110.819 162.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -56.87 -23.05 41.64 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 175.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.2 m -58.98 -28.49 66.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.921 1.288 . . . . 0.0 112.266 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.86 -41.45 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.977 0.911 . . . . 0.0 110.835 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 882' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -68.19 -19.72 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -92.26 -18.84 41.02 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.785 1.183 . . . . 0.0 114.436 171.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -84.3 -34.43 23.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.971 1.308 . . . . 0.0 112.304 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.47 0.542 0 C-N-CA 125.659 1.584 . . . . 0.0 107.723 167.318 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 121.279 0.561 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.15 131.9 44.97 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.4 pt -140.77 163.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.448 1.099 . . . . 0.0 111.599 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 17.8 m -49.9 -45.57 51.0 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.52 -13.09 61.74 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.911 -1.118 . . . . 0.0 113.643 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -12.21 28.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.821 1.649 . . . . 0.0 113.216 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -54.55 134.56 46.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.106 1.362 . . . . 0.0 112.598 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.5 m -56.01 -43.21 77.52 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.491 1.516 . . . . 0.0 113.749 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.01 99.8 11.25 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.323 1.049 . . . . 0.0 111.467 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -60.23 -18.21 47.11 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.147 1.779 . . . . 0.0 113.854 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -68.8 -24.32 64.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.219 1.808 . . . . 0.0 113.873 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -133.25 22.1 4.07 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.76 1.624 . . . . 0.0 112.804 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -96.52 40.53 1.13 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.928 1.691 . . . . 0.0 114.572 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -141.88 146.31 35.63 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.004 1.322 . . . . 0.0 110.986 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.6 m -58.58 -19.6 39.61 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.656 0.782 . . . . 0.0 112.116 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 38.2 m -86.44 -18.77 30.87 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.445 1.498 . . . . 0.0 114.368 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 906' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 6.3 mmpt? -75.69 -178.76 4.34 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.971 1.308 . . . . 0.0 113.516 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.8 t -106.87 -155.4 0.55 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.959 1.703 . . . . 0.0 112.553 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -145.54 167.93 21.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.978 2.111 . . . . 0.0 112.361 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.6 -35.53 74.5 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -151.31 132.86 14.77 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.901 1.681 . . . . 0.0 109.964 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.0 m -60.14 157.64 12.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.289 0.95 . . . . 0.0 111.685 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 912' ' ' ASN . . . . . 0.44 ' ND2' ' HE1' ' A' ' 874' ' ' TRP . 47.3 t-20 -55.02 -38.27 67.72 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.547 0.739 . . . . 0.0 111.691 -171.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.63 -27.62 68.79 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.469 1.508 . . . . 0.0 114.353 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -87.61 -48.63 7.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.445 1.498 . . . . 0.0 111.633 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.1 tp -59.43 -55.5 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.646 0.657 . . . . 0.0 111.798 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -58.52 -23.19 57.56 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.337 -1.477 . . . . 0.0 114.157 -175.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.68 -32.86 71.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.322 1.449 . . . . 0.0 114.055 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.1 -42.05 99.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.705 1.202 . . . . 0.0 112.201 -178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.7 mp -87.29 -27.89 22.62 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.858 0.863 . . . . 0.0 111.908 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 81.99 52.72 3.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.439 1.495 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 47.9 pt . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 125.314 1.446 . . . . 0.0 113.688 -165.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 C-N-CA 125.614 1.566 . . . . 0.0 114.606 -168.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.904 0.383 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -144.21 176.91 8.98 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.401 0.681 . . . . 0.0 111.836 -160.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 865' ' ' TRP . . . . . 0.465 ' HE1' HG21 ' B' ' 6' ' ' THR . 68.8 m95 -89.16 175.06 7.53 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.821 -1.174 . . . . 0.0 112.847 173.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.6 p -150.29 144.31 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.138 1.775 . . . . 0.0 110.279 165.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 867' ' ' ARG . . . . . 0.403 ' HB3' HH11 ' A' ' 867' ' ' ARG . 0.0 OUTLIER -86.36 143.97 27.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.828 0.851 . . . . 0.0 111.68 174.406 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.1 124.39 27.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.442 0.697 . . . . 0.0 110.982 161.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.36 -10.61 59.01 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 171.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -86.85 -30.53 21.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.393 0.997 . . . . 0.0 111.886 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 17.8 p -118.11 -101.24 0.43 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.94 1.296 . . . . 0.0 111.296 163.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -171.01 -11.48 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.573 2.349 . . . . 0.0 114.807 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -50.41 158.66 0.57 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.11 2.164 . . . . 0.0 114.358 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -114.05 150.05 34.56 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.438 1.095 . . . . 0.0 112.926 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -142.86 136.68 28.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.05 1.74 . . . . 0.0 110.978 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.93 111.98 19.74 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.439 1.496 . . . . 0.0 109.786 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 30.2 pt -112.88 159.43 34.54 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 127.753 2.421 . . . . 0.0 111.518 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.05 150.34 66.33 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 121.282 1.321 . . . . 0.0 111.973 167.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -46.35 -33.86 4.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.355 1.862 . . . . 0.0 114.735 172.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -58.92 -28.26 66.06 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.064 1.345 . . . . 0.0 112.671 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.29 -37.08 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.375 1.07 . . . . 0.0 111.291 173.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 882' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -66.26 -22.57 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 119.496 1.044 . . . . 0.0 113.046 -178.838 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.81 -18.55 63.28 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.537 1.065 . . . . 0.0 114.545 172.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -85.26 -41.5 15.51 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.771 1.229 . . . . 0.0 111.649 172.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 126.254 1.821 . . . . 0.0 109.384 168.412 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 121.558 0.694 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -78.51 141.59 38.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.881 1.272 . . . . 0.0 109.908 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -140.31 161.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.626 1.103 . . . . 0.0 113.546 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 74.4 m -49.39 -44.62 45.16 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.358 1.063 . . . . 0.0 113.622 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.72 -21.95 66.87 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.163 1.347 . . . . 0.0 112.92 -175.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -11.94 46.61 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.767 1.627 . . . . 0.0 113.421 175.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -54.69 138.86 40.74 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.91 1.284 . . . . 0.0 113.218 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -54.54 -43.94 72.41 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.26 1.424 . . . . 0.0 114.164 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.2 105.33 17.57 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.745 1.218 . . . . 0.0 111.564 -174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -58.21 -24.34 58.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.366 1.466 . . . . 0.0 113.39 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.83 -23.31 67.2 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.024 1.73 . . . . 0.0 114.013 172.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -128.19 10.37 6.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.473 1.509 . . . . 0.0 114.161 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -87.58 41.45 0.99 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.884 2.074 . . . . 0.0 114.605 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.09 152.05 37.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.797 0.839 . . . . 0.0 111.351 165.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.52 -15.7 7.84 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.144 0.978 . . . . 0.0 112.226 166.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.4 m -91.31 -18.9 23.6 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.508 1.123 . . . . 0.0 113.214 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -76.22 178.13 6.68 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.201 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.8 t -93.68 -159.72 0.71 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.267 1.427 . . . . 0.0 112.848 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -148.05 167.57 24.6 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.796 2.439 . . . . 0.0 110.892 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.95 -36.36 83.7 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.253 -0.905 . . . . 0.0 113.24 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 56.7 mtt -152.48 133.98 14.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.552 1.541 . . . . 0.0 110.873 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.1 p -62.05 155.89 22.81 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.984 0.897 . . . . 0.0 112.389 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.02 -31.43 71.05 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.3 -160.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -80.27 -11.91 59.67 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.148 1.779 . . . . 0.0 115.025 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -97.32 -38.23 9.74 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.312 1.445 . . . . 0.0 111.735 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -66.9 -55.68 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 118.669 0.668 . . . . 0.0 112.296 170.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -54.72 -27.96 44.58 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.003 -1.686 . . . . 0.0 114.321 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.31 -31.78 72.43 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.338 2.255 . . . . 0.0 114.344 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.78 -45.65 92.98 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.084 0.954 . . . . 0.0 111.885 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 919' ' ' LEU . . . . . 0.539 HD21 ' H ' ' B' ' 6' ' ' THR . 2.6 mp -83.12 -30.47 27.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.809 0.844 . . . . 0.0 112.167 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.73 39.54 6.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.271 1.415 . . . . 0.0 112.735 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 24.4 pt . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 126.095 1.758 . . . . 0.0 112.157 -171.697 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.539 ' H ' HD21 ' A' ' 919' ' ' LEU 0.255 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 C-N-CA 128.782 2.833 . . . . 0.0 116.776 -175.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 121.425 0.631 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -130.94 -177.88 4.57 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.721 0.808 . . . . 0.0 112.584 -160.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -98.95 172.33 7.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.421 -0.8 . . . . 0.0 111.169 161.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.69 145.21 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.707 1.603 . . . . 0.0 110.006 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.43 144.56 28.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.504 1.521 . . . . 0.0 111.533 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.0 t -73.1 117.88 15.37 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.032 0.933 . . . . 0.0 111.447 167.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -78.3 6.3 8.58 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 168.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -101.25 -30.62 11.42 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.493 1.042 . . . . 0.0 112.53 167.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.269 14.4 p -126.09 -98.81 0.4 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.397 1.479 . . . . 0.0 112.119 168.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -162.04 -13.04 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.838 2.455 . . . . 0.0 114.991 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -43.12 136.52 2.83 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.982 1.713 . . . . 0.0 113.939 -173.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -101.75 143.43 31.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.362 1.065 . . . . 0.0 111.658 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -142.84 137.21 29.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.905 1.682 . . . . 0.0 110.246 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.3 30.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.65 1.18 . . . . 0.0 109.549 174.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.2 pt -127.34 156.2 75.28 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 127.377 2.271 . . . . 0.0 111.102 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.91 154.92 62.96 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.459 1.439 . . . . 0.0 111.454 167.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -51.75 -26.18 8.99 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.0 m -60.75 -27.18 67.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.986 1.314 . . . . 0.0 112.79 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 91.4 t -91.21 -38.81 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.429 1.092 . . . . 0.0 110.818 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.73 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.981 0.809 . . . . 0.0 112.801 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.47 -17.86 70.11 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.974 1.274 . . . . 0.0 114.197 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.4 t -91.94 -41.22 10.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.2 1.4 . . . . 0.0 112.113 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.471 0.602 0 C-N-CA 125.19 1.396 . . . . 0.0 109.486 177.157 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.647 0.737 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -76.07 135.32 39.9 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.201 1.001 . . . . 0.0 109.477 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.4 pt -142.97 164.87 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.82 0.848 . . . . 0.0 112.768 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 75.0 m -49.11 -47.44 45.36 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.313 -0.867 . . . . 0.0 113.215 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -63.66 -25.27 68.14 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.844 1.202 . . . . 0.0 112.878 -173.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -7.65 56.7 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -54.54 136.36 44.92 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.679 1.592 . . . . 0.0 111.862 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 56.6 m -60.27 -42.34 95.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.345 1.458 . . . . 0.0 113.475 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.14 102.47 13.3 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.243 1.017 . . . . 0.0 111.368 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -58.93 -21.64 58.43 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.865 1.666 . . . . 0.0 113.512 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.05 -26.26 68.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.099 1.76 . . . . 0.0 113.563 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -133.02 16.87 4.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.535 1.534 . . . . 0.0 113.616 -173.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.37 32.66 0.93 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.972 1.709 . . . . 0.0 114.975 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -149.87 148.67 29.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.968 1.307 . . . . 0.0 111.49 166.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.56 -18.36 4.32 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 125.786 1.634 . . . . 0.0 112.599 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 33.6 m -90.67 -15.01 31.15 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.359 1.864 . . . . 0.0 113.569 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.11 -175.49 1.84 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.9 t -81.18 -159.84 0.29 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.008 1.723 . . . . 0.0 113.147 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -153.61 155.7 36.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 128.192 2.597 . . . . 0.0 109.893 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.8 -40.11 91.59 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.541 1.519 . . . . 0.0 112.052 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -144.33 140.08 28.91 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.026 1.33 . . . . 0.0 110.388 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.03 156.58 20.92 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.184 0.902 . . . . 0.0 111.152 173.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -61.59 -32.3 72.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -163.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -71.39 -28.53 64.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.532 1.133 . . . . 0.0 113.037 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -83.11 -37.24 24.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.384 1.074 . . . . 0.0 111.95 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.7 tp -67.87 -54.85 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.667 0.667 . . . . 0.0 111.081 169.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -57.83 -26.28 61.8 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.445 -1.409 . . . . 0.0 114.043 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -66.26 -36.35 82.76 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.157 1.383 . . . . 0.0 114.164 167.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -65.82 -33.45 75.89 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.97 1.308 . . . . 0.0 112.516 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.62 -38.45 29.23 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.854 0.862 . . . . 0.0 111.946 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.81 38.71 4.84 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.852 1.691 . . . . 0.0 113.302 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 15.9 pt . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 125.892 1.677 . . . . 0.0 112.869 -167.471 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.577 ' N ' HE21 ' B' ' 5' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 125.022 1.329 . . . . 0.0 112.588 176.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -125.86 -172.34 2.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.687 1.595 . . . . 0.0 113.102 -163.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -104.32 175.71 5.4 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.526 -0.734 . . . . 0.0 111.821 159.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.15 146.17 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.392 1.477 . . . . 0.0 110.801 163.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.21 142.95 27.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 111.728 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.93 126.51 30.63 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.8 0.84 . . . . 0.0 111.754 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -83.3 -10.59 58.42 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.94 -27.4 22.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.111 0.869 . . . . 0.0 112.662 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.265 16.0 p -128.78 -94.15 0.43 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.819 1.247 . . . . 0.0 111.761 166.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -170.51 -18.1 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.179 2.592 . . . . 0.0 113.177 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.02 141.53 2.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.08 1.352 . . . . 0.0 114.325 -174.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -101.84 148.85 24.82 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 125.505 1.522 . . . . 0.0 112.063 -176.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -145.07 138.93 27.03 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.307 1.443 . . . . 0.0 110.289 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -76.23 128.32 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.492 1.517 . . . . 0.0 109.85 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.3 pt -135.33 155.6 78.56 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 125.308 1.443 . . . . 0.0 112.508 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -66.79 149.27 83.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 121.839 1.693 . . . . 0.0 111.017 163.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.28 62.63 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 70.8 m -60.57 -25.55 66.28 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.129 -0.982 . . . . 0.0 112.792 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.4 t -84.37 -38.81 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.625 0.77 . . . . 0.0 110.471 171.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -19.46 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 118.914 0.779 . . . . 0.0 113.048 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.03 -21.24 46.82 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.974 1.273 . . . . 0.0 114.732 169.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -83.68 -35.78 24.26 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 112.145 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 125.313 1.445 . . . . 0.0 108.906 174.314 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 120.832 0.349 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -106.85 138.27 43.34 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.01 1.724 . . . . 0.0 110.366 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 22.8 pt -142.21 162.39 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.966 0.906 . . . . 0.0 112.756 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 71.2 m -46.48 -47.82 19.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.564 1.146 . . . . 0.0 113.325 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 52.8 mtt -65.5 -19.63 66.01 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.907 1.23 . . . . 0.0 113.09 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -15.12 37.73 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.94 1.696 . . . . 0.0 113.375 174.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 139.35 44.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.013 1.325 . . . . 0.0 112.7 -172.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.8 m -54.59 -48.45 72.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.735 1.214 . . . . 0.0 113.234 173.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.73 103.98 16.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.453 1.101 . . . . 0.0 112.142 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 899' ' ' LYS . . . . . 0.508 ' CA ' ' HE3' ' A' ' 899' ' ' LYS . 0.0 OUTLIER -59.77 -18.96 47.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.582 1.953 . . . . 0.0 114.014 -177.047 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -67.13 -24.92 65.97 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.396 1.478 . . . . 0.0 113.657 170.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.27 5.66 5.8 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -80.87 35.98 0.38 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.359 2.263 . . . . 0.0 114.836 -172.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.42 148.41 30.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 0.0 111.599 168.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 83.6 m -57.98 -16.07 11.19 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.405 1.482 . . . . 0.0 112.834 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 60.9 m -91.78 -14.81 29.24 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.223 1.409 . . . . 0.0 113.27 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -77.53 179.5 6.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -87.7 -161.64 0.73 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.168 1.787 . . . . 0.0 113.051 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.62 156.83 42.57 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.151 2.581 . . . . 0.0 110.486 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.33 -39.19 93.4 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.057 1.298 . . . . 0.0 112.277 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.58 140.37 27.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 0.0 109.636 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 p -60.46 151.89 27.12 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.142 1.337 . . . . 0.0 111.51 168.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.73 -34.74 74.86 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -164.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.41 -26.59 68.52 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.039 0.936 . . . . 0.0 113.372 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -85.98 -39.33 17.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.411 1.084 . . . . 0.0 112.586 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -71.49 -54.02 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.379 0.99 . . . . 0.0 111.922 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -56.33 -26.14 51.33 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 120.007 -1.683 . . . . 0.0 113.77 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.39 -32.71 74.43 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.182 1.793 . . . . 0.0 114.794 168.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -64.8 -38.5 91.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.252 1.421 . . . . 0.0 111.819 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.6 mp -84.01 -36.29 23.26 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.09 0.956 . . . . 0.0 112.186 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.2 44.52 3.51 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.509 1.528 . . . . 0.0 113.102 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 23.6 pt . . . . . 0 N--CA 1.477 0.88 0 C-N-CA 126.228 1.811 . . . . 0.0 112.131 -171.016 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -171.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -131.66 179.69 5.9 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.86 0.864 . . . . 0.0 112.034 -155.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -92.66 174.55 7.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.171 -0.956 . . . . 0.0 112.016 160.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.79 142.83 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.638 1.975 . . . . 0.0 109.395 166.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.96 147.85 27.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.295 1.038 . . . . 0.0 111.576 174.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.77 112.47 8.84 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.127 0.489 . . . . 0.0 109.694 155.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -62.35 -16.65 55.73 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 171.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.64 -13.19 23.02 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.01 1.324 . . . . 0.0 113.665 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 87.4 m -118.54 -103.71 0.41 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 126.258 1.823 . . . . 0.0 110.36 170.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 51.8 p90 174.09 -16.68 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.929 1 C-N-CA 132.273 4.229 . . . . 0.0 110.232 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.455 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 7.1 ttpt -45.88 153.86 0.27 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.375 2.67 . . . . 0.0 113.465 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -119.96 148.75 43.15 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.818 0.847 . . . . 0.0 113.04 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -141.78 137.21 31.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.153 1.381 . . . . 0.0 112.613 172.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 126.03 31.21 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.462 1.505 . . . . 0.0 110.059 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.19 159.69 70.42 Favored Pre-proline 0 N--CA 1.471 0.581 0 C-N-CA 128.136 2.574 . . . . 0.0 111.55 -173.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -69.9 151.04 68.16 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.545 1.497 . . . . 0.0 111.474 163.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.79 -23.1 40.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 39.1 t -59.17 -30.18 68.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.261 1.024 . . . . 0.0 112.043 173.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 93.8 t -84.24 -42.34 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.197 0.999 . . . . 0.0 110.526 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -21.47 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 121.497 -0.752 . . . . 0.0 112.401 -177.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -90.96 7.51 81.05 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.396 1.95 . . . . 0.0 114.843 173.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 21.9 t -129.66 -25.67 2.57 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.659 1.584 . . . . 0.0 113.191 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 124.879 1.271 . . . . 0.0 109.373 169.431 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -78.34 128.9 34.34 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 165.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.6 pt -141.56 164.35 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.182 0.993 . . . . 0.0 111.543 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.455 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 22.3 m -49.81 -45.59 50.16 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.76 -23.98 67.58 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.998 1.272 . . . . 0.0 113.082 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -14.13 47.82 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.439 1.496 . . . . 0.0 113.508 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -55.95 135.82 52.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.16 1.384 . . . . 0.0 112.768 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.3 m -57.69 -43.33 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.265 1.426 . . . . 0.0 113.593 170.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.25 103.84 13.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.378 1.071 . . . . 0.0 112.213 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.86 -16.17 38.57 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.167 1.787 . . . . 0.0 113.438 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -57.8 -32.53 67.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 168.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -140.58 17.96 2.36 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -84.43 39.27 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.542 1.537 . . . . 0.0 114.782 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.87 144.48 31.13 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.515 1.526 . . . . 0.0 110.953 173.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.5 m -59.69 -20.11 54.17 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.327 0.651 . . . . 0.0 111.969 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 20.4 m -87.2 -17.87 31.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.333 1.453 . . . . 0.0 114.087 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -74.73 175.13 8.23 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.561 1.144 . . . . 0.0 113.878 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.7 t -87.28 -156.49 0.34 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.912 1.685 . . . . 0.0 112.249 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.79 166.15 34.18 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.22 2.608 . . . . 0.0 110.595 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -73.73 -26.22 60.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.4 mmt -148.9 128.66 13.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.391 1.476 . . . . 0.0 110.305 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.1 m -61.69 160.88 10.85 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.153 0.981 . . . . 0.0 110.96 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -64.18 -26.85 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 120.6 -1.312 . . . . 0.0 112.794 -174.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.07 -0.77 29.34 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.628 1.571 . . . . 0.0 114.126 170.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -114.25 -45.91 3.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.937 . . . . 0.0 111.564 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.38 7.26 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 123.804 1.764 . . . . 0.0 114.837 174.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -94.25 -41.3 9.54 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.653 -1.904 . . . . 0.0 112.601 156.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.69 -30.4 70.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.904 1.281 . . . . 0.0 113.904 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -60.05 -33.47 72.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.775 0.83 . . . . 0.0 112.843 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.44 -26.72 14.75 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 97.34 28.59 8.43 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.192 1.377 . . . . 0.0 113.38 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 49.7 pt . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 126.623 1.969 . . . . 0.0 111.435 -178.11 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.473 0.723 0 C-N-CA 124.971 1.309 . . . . 0.0 112.862 -174.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -133.9 178.14 7.18 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.521 1.128 . . . . 0.0 111.708 -151.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -94.17 175.35 6.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.949 -1.095 . . . . 0.0 112.24 167.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.97 143.4 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.21 1.804 . . . . 0.0 110.254 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 148.74 23.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.797 1.239 . . . . 0.0 111.921 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.11 119.32 19.1 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.978 0.911 . . . . 0.0 110.691 161.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -77.13 -4.6 45.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 170.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -90.64 -50.99 5.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.697 1.135 . . . . 0.0 110.884 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.298 13.7 p -103.45 -102.88 0.29 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.639 1.176 . . . . 0.0 111.26 167.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -164.91 -13.32 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -53.38 141.27 24.96 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -93.8 145.33 24.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.408 1.083 . . . . 0.0 111.749 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -142.02 135.73 29.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.524 1.53 . . . . 0.0 112.986 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.55 124.57 28.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.978 1.311 . . . . 0.0 110.644 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.18 160.32 68.45 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 128.145 2.578 . . . . 0.0 111.319 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -68.38 149.58 75.28 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 121.593 1.529 . . . . 0.0 111.788 166.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -57.22 -25.84 59.73 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -60.71 -27.22 67.73 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.615 1.166 . . . . 0.0 112.429 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 83.5 t -89.23 -39.18 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.93 0.892 . . . . 0.0 110.899 172.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -22.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.416 1.007 . . . . 0.0 113.146 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.42 -20.15 49.56 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.528 1.061 . . . . 0.0 114.402 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.2 t -79.95 -40.42 28.09 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.569 1.147 . . . . 0.0 111.505 170.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 125.957 1.703 . . . . 0.0 109.951 168.525 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 121.057 0.456 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -77.4 133.73 38.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.408 0.683 . . . . 0.0 109.238 171.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 15.7 pt -141.88 163.08 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.025 0.93 . . . . 0.0 111.808 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.5 m -48.71 -47.8 40.85 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.72 0.808 . . . . 0.0 112.886 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 73.0 mtm -68.2 -14.67 63.16 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.725 -1.235 . . . . 0.0 113.619 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -15.55 34.05 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.644 1.577 . . . . 0.0 113.15 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -59.1 137.02 58.12 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.248 1.419 . . . . 0.0 112.925 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 41.8 m -59.0 -42.42 90.0 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.084 1.354 . . . . 0.0 113.561 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -83.77 103.97 13.5 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.448 1.099 . . . . 0.0 112.044 -172.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.0 -18.95 49.76 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.059 1.744 . . . . 0.0 113.497 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -60.29 -27.37 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.248 1.819 . . . . 0.0 113.09 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -137.04 12.1 3.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.04 31.46 0.32 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -148.34 147.23 29.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.203 1.801 . . . . 0.0 110.466 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 72.4 m -59.97 -17.02 34.95 Favored 'General case' 0 CA--C 1.561 1.391 0 O-C-N 121.379 -0.826 . . . . 0.0 112.337 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 67.4 m -85.62 -22.03 28.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.491 1.516 . . . . 0.0 113.596 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -72.09 -179.83 2.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.436 0.695 . . . . 0.0 112.027 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 6.2 t -152.46 152.71 32.29 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.44 162.44 25.49 Favored 'General case' 0 CA--C 1.541 0.599 1 C-N-CA 134.138 4.975 . . . . 0.0 116.797 -154.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -88.3 -29.46 20.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.289 1.036 . . . . 0.0 113.123 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.7 mmt -141.25 137.52 32.6 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 109.583 167.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.6 m -67.11 161.16 25.17 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.341 0.973 . . . . 0.0 111.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -68.23 -19.88 64.77 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -168.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -67.81 -43.41 79.71 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.773 0.715 . . . . 0.0 111.214 166.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -72.65 -46.4 54.12 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.037 0.935 . . . . 0.0 111.305 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.293 1.3 tp -80.11 15.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 173.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . 0.284 0.8 OUTLIER -111.12 -32.9 6.63 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.642 -1.286 . . . . 0.0 113.874 155.319 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.08 -32.63 74.43 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.454 1.102 . . . . 0.0 113.361 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.23 -31.35 68.98 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.36 1.064 . . . . 0.0 112.958 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.9 mp -105.78 -28.95 10.36 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.526 1.131 . . . . 0.0 112.559 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.21 44.29 5.07 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.329 1.442 . . . . 0.0 112.67 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 44.1 pt . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 125.724 1.609 . . . . 0.0 112.84 -171.013 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 121.034 0.445 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.925 0 C-N-CA 124.752 1.221 . . . . 0.0 113.861 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 121.028 0.442 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -129.47 -174.32 3.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.113 1.765 . . . . 0.0 111.741 -171.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -104.98 170.7 7.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.097 -1.002 . . . . 0.0 111.728 164.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.3 p -144.48 143.48 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.934 1.694 . . . . 0.0 109.692 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -95.66 150.26 20.56 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.546 1.138 . . . . 0.0 112.343 175.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.8 t -74.16 124.77 26.96 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.554 1.142 . . . . 0.0 112.142 170.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.74 -9.63 58.56 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -108.24 -32.03 7.65 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.98 1.264 . . . . 0.0 113.391 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.295 14.4 p -113.73 -104.67 0.4 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.28 1.032 . . . . 0.0 110.73 161.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -168.57 -3.51 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.181 2.193 . . . . 0.0 115.706 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.432 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 3.0 tppt? -47.52 151.57 0.78 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.92 2.488 . . . . 0.0 113.29 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -108.05 149.21 28.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.048 1.339 . . . . 0.0 112.857 171.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -143.85 136.25 26.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.932 1.293 . . . . 0.0 111.751 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 124.87 29.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.149 1.38 . . . . 0.0 109.509 175.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 50.3 pt -129.83 155.81 79.91 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 126.88 2.072 . . . . 0.0 111.537 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -68.24 150.14 76.43 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.547 1.498 . . . . 0.0 111.021 164.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.37 -21.79 16.86 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 67.6 m -62.47 -25.19 67.86 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.241 -0.912 . . . . 0.0 112.588 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 99.4 t -87.53 -40.03 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 110.678 171.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -20.93 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.78 0.718 . . . . 0.0 112.699 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.61 -20.67 59.56 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.996 1.284 . . . . 0.0 114.306 171.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.1 t -85.82 -42.4 14.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.931 1.292 . . . . 0.0 111.953 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.712 1.605 . . . . 0.0 109.857 175.941 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.275 0.56 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -73.76 130.07 39.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.2 pt -142.35 163.66 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.99 0.916 . . . . 0.0 112.507 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.432 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 57.9 m -50.45 -45.16 55.81 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.137 0.975 . . . . 0.0 113.338 174.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.7 tpp -63.84 -23.93 67.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.052 1.296 . . . . 0.0 112.604 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.61 -14.37 48.9 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.744 1.617 . . . . 0.0 113.302 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.9 134.38 52.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.843 1.257 . . . . 0.0 112.421 -173.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 46.3 m -56.85 -42.8 80.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.364 1.466 . . . . 0.0 113.617 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.57 101.99 13.16 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.371 1.069 . . . . 0.0 111.722 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -60.5 -18.67 53.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.898 1.679 . . . . 0.0 113.88 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -66.32 -24.77 66.59 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.317 1.847 . . . . 0.0 113.397 171.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -136.08 21.79 3.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.441 1.496 . . . . 0.0 113.569 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -94.92 34.12 1.4 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.908 1.683 . . . . 0.0 115.036 -172.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.25 146.52 30.78 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.04 1.336 . . . . 0.0 110.722 172.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.3 m -56.42 -18.85 12.5 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.768 0.827 . . . . 0.0 112.211 171.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.8 m -89.39 -19.1 25.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.134 1.773 . . . . 0.0 114.61 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -69.92 177.42 3.14 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.1 t -78.77 -166.94 0.97 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.6 1.56 . . . . 0.0 113.185 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -147.75 147.65 30.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.924 2.49 . . . . 0.0 109.804 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.82 -24.13 61.66 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.694 -1.254 . . . . 0.0 113.903 -174.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.4 mtt -143.46 139.69 30.0 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.863 1.265 . . . . 0.0 109.091 171.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -67.37 158.91 30.51 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.63 1.559 . . . . 0.0 110.583 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.69 -33.53 74.16 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.482 -0.761 . . . . 0.0 111.752 -169.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.01 -10.25 59.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.386 1.875 . . . . 0.0 114.825 175.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -99.97 -42.13 6.9 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.729 1.612 . . . . 0.0 111.15 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.9 tp -70.42 -50.58 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.978 -0.451 . . . . 0.0 111.619 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -55.38 -26.59 42.22 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.968 -1.707 . . . . 0.0 113.893 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -70.06 -35.82 74.53 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.788 2.035 . . . . 0.0 114.368 170.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -65.28 -39.98 93.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.116 0.966 . . . . 0.0 111.759 174.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.33 -34.69 42.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.386 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 82.7 47.62 5.86 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.596 1.569 . . . . 0.0 113.077 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 39.3 pt . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 113.938 -165.926 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 125.746 1.618 . . . . 0.0 113.582 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.16 -178.67 5.01 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.196 1.398 . . . . 0.0 113.092 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 865' ' ' TRP . . . . . 0.524 ' HE1' HG21 ' B' ' 6' ' ' THR . 51.2 m95 -130.54 138.64 50.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 123.742 0.817 . . . . 0.0 111.816 167.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -115.08 136.82 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.068 0.947 . . . . 0.0 111.466 -168.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.38 143.28 27.1 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.788 0.835 . . . . 0.0 111.944 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.7 124.51 23.47 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.439 0.695 . . . . 0.0 111.305 165.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.35 -12.51 61.16 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.815 1.246 . . . . 0.0 113.963 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -100.73 -29.77 12.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.752 1.16 . . . . 0.0 112.571 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.277 14.5 p -121.94 -104.22 0.39 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.746 1.218 . . . . 0.0 111.188 160.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -170.84 -4.64 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.348 2.259 . . . . 0.0 115.804 -174.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.83 141.25 13.57 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.219 0.918 . . . . 0.0 112.716 176.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -96.35 149.69 21.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.195 1.398 . . . . 0.0 111.939 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -143.27 136.67 28.24 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.258 1.823 . . . . 0.0 110.899 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.49 126.67 30.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.19 1.796 . . . . 0.0 109.67 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.6 pt -133.4 154.65 81.02 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 126.093 1.757 . . . . 0.0 111.548 -177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -70.49 152.33 65.47 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.521 1.481 . . . . 0.0 110.931 166.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -51.78 -26.56 9.91 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 173.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.5 m -61.47 -25.74 67.44 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.685 0.794 . . . . 0.0 112.495 175.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 87.5 t -88.33 -41.03 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.904 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 882' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -68.41 -20.3 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.165 0.893 . . . . 0.0 113.341 -176.743 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -87.48 -16.22 60.69 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.756 1.17 . . . . 0.0 114.253 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.7 t -89.6 -39.18 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.305 1.442 . . . . 0.0 112.133 174.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 125.642 1.577 . . . . 0.0 109.041 172.148 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.735 0.302 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -77.35 133.1 38.82 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 169.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.9 pt -141.57 162.84 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.653 0.781 . . . . 0.0 112.476 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 81.4 m -47.97 -47.43 32.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.292 1.037 . . . . 0.0 113.158 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.26 -20.79 66.58 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 120.199 1.363 . . . . 0.0 112.973 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -14.99 42.92 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.635 1.574 . . . . 0.0 113.495 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -55.43 134.38 50.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.831 1.253 . . . . 0.0 112.253 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 9.0 m -57.2 -40.37 77.29 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.744 1.218 . . . . 0.0 113.605 172.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.83 98.74 11.64 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.124 0.964 . . . . 0.0 111.597 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.11 -18.21 45.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.263 1.825 . . . . 0.0 113.794 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.41 -25.62 66.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.767 1.627 . . . . 0.0 113.409 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -129.83 9.67 5.43 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.09 37.47 0.49 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.336 2.255 . . . . 0.0 114.703 -172.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.94 149.47 30.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 111.579 167.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.7 m -57.65 -17.3 13.96 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 125.264 1.426 . . . . 0.0 112.545 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 28.5 m -89.02 -17.64 28.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.839 1.656 . . . . 0.0 113.008 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -77.89 177.97 7.8 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -88.03 -161.93 0.77 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.979 1.711 . . . . 0.0 113.096 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -152.65 153.85 34.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.057 2.543 . . . . 0.0 110.163 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.96 -37.31 87.23 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.622 -1.299 . . . . 0.0 112.455 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 63.5 mtt -144.08 140.14 29.3 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.697 1.599 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -64.58 158.27 24.73 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.426 1.012 . . . . 0.0 110.79 175.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.03 -29.3 70.71 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.306 -0.871 . . . . 0.0 112.215 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -79.86 -1.44 39.09 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.832 2.053 . . . . 0.0 115.046 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -108.65 -39.64 5.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.167 1.787 . . . . 0.0 111.607 175.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -52.21 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.515 -0.741 . . . . 0.0 111.478 172.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -53.19 -30.72 39.13 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.228 -1.545 . . . . 0.0 113.475 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.32 -34.05 76.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.771 1.628 . . . . 0.0 114.095 173.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.77 -38.58 91.45 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.455 -0.778 . . . . 0.0 112.0 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.7 mt -77.25 -24.91 51.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.403 1.081 . . . . 0.0 112.148 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.78 33.14 10.19 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.686 1.613 . . . . 0.0 113.523 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 35.1 pt . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 126.376 1.87 . . . . 0.0 111.894 -167.549 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 121.842 0.829 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.524 HG21 ' HE1' ' A' ' 865' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 C-N-CA 125.995 1.718 . . . . 0.0 114.889 -171.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 121.772 0.796 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -151.24 175.62 12.01 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.043 1.337 . . . . 0.0 111.814 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -97.31 176.61 5.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.09 -1.006 . . . . 0.0 111.625 162.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 9.6 p -146.99 139.21 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.978 1.311 . . . . 0.0 110.599 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -87.68 141.41 28.63 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.477 1.511 . . . . 0.0 110.533 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.08 119.66 15.52 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.055 0.542 . . . . 0.0 111.1 165.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.1 -13.97 62.74 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -91.02 -28.81 17.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.068 1.304 . . . . 0.0 112.864 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 15.4 p -122.39 -98.59 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.837 1.255 . . . . 0.0 111.407 164.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -173.81 -8.66 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.65 2.38 . . . . 0.0 114.996 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.648 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.8 tmmm? -45.35 146.61 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.884 2.074 . . . . 0.0 113.316 178.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -108.48 147.8 31.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.023 0.929 . . . . 0.0 113.478 -175.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -145.03 139.16 27.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.008 1.323 . . . . 0.0 111.983 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -82.54 126.72 32.6 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.195 1.398 . . . . 0.0 110.118 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 47.0 pt -130.09 158.9 72.67 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.032 2.133 . . . . 0.0 111.136 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -67.54 147.96 77.7 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 121.424 1.416 . . . . 0.0 110.349 162.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.01 -19.69 53.89 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 78.2 p -61.61 -26.36 67.93 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.095 -1.003 . . . . 0.0 112.889 170.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.9 t -84.81 -38.16 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.924 0.89 . . . . 0.0 110.256 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.54 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.93 0.786 . . . . 0.0 112.914 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.91 -23.21 56.23 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.9 1.238 . . . . 0.0 114.274 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.0 t -85.74 -39.81 16.77 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.019 1.328 . . . . 0.0 112.241 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 125.843 1.657 . . . . 0.0 108.693 172.043 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 121.198 0.523 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -71.37 132.15 44.42 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 164.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.2 pt -141.32 163.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.117 0.967 . . . . 0.0 112.43 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.648 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 59.0 m -50.41 -45.87 55.93 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 174.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.35 -26.07 68.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.694 1.133 . . . . 0.0 112.367 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -14.24 54.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.491 1.516 . . . . 0.0 113.434 176.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -54.99 134.64 49.04 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.06 1.344 . . . . 0.0 112.457 -173.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 12.8 m -58.61 -41.24 85.45 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.567 1.147 . . . . 0.0 113.599 172.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -86.02 100.05 11.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 122.018 0.913 . . . . 0.0 111.979 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -60.71 -17.48 48.48 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.095 1.758 . . . . 0.0 113.928 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -64.76 -25.84 68.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.505 1.522 . . . . 0.0 113.284 170.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -132.3 8.75 4.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.33 40.13 0.7 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.144 2.178 . . . . 0.0 115.35 -168.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -147.81 150.1 33.56 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.677 1.591 . . . . 0.0 111.558 169.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 74.3 m -58.22 -21.69 48.96 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.662 1.185 . . . . 0.0 112.065 171.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 45.5 m -84.95 -20.31 30.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.663 1.585 . . . . 0.0 113.27 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.42 169.11 18.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.177 0.991 . . . . 0.0 112.958 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.3 t -91.38 -159.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.422 1.489 . . . . 0.0 112.458 -175.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.27 163.43 38.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.867 2.467 . . . . 0.0 111.218 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.47 -26.04 65.28 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -172.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.5 mmt -144.88 136.19 25.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.36 1.064 . . . . 0.0 111.921 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.66 157.2 21.4 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.649 0.659 . . . . 0.0 111.575 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -60.88 -33.0 72.43 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -164.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.89 -16.77 54.68 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.512 1.525 . . . . 0.0 113.574 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -88.74 -41.66 12.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.074 1.35 . . . . 0.0 111.587 174.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.25 1.4 tp -65.05 -58.51 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 118.743 0.701 . . . . 0.0 111.344 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -55.39 -29.05 57.77 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 120.08 -1.637 . . . . 0.0 114.286 -173.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.42 -31.3 72.33 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.313 1.845 . . . . 0.0 114.753 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -58.88 -34.46 71.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 112.536 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.26 -32.72 12.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.44 1.096 . . . . 0.0 112.218 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.93 4.75 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.255 1.407 . . . . 0.0 113.021 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 126.138 1.775 . . . . 0.0 112.118 -171.564 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.482 1.137 0 O-C-N 121.028 -1.045 . . . . 0.0 113.745 -171.313 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.06 -179.86 6.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.353 0.661 . . . . 0.0 112.44 -167.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -97.09 177.22 5.66 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.174 -0.954 . . . . 0.0 112.758 167.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.4 p -148.77 140.92 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.959 1.704 . . . . 0.0 110.594 167.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -83.75 143.58 29.91 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.606 1.162 . . . . 0.0 110.956 172.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.2 t -68.57 120.5 14.69 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.199 0.523 . . . . 0.0 109.943 160.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -67.72 -9.99 48.58 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.36 1.464 . . . . 0.0 113.948 172.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -105.18 -27.35 11.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.488 1.115 . . . . 0.0 112.874 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 68.0 m -104.59 -113.21 0.24 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.837 1.655 . . . . 0.0 110.436 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 47.4 p90 179.29 -16.79 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 1 C-N-CA 132.0 4.12 . . . . 0.0 110.435 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 873' ' ' LYS . . . . . 0.489 ' HE3' ' SG ' ' A' ' 893' ' ' CYS . 0.1 OUTLIER -40.45 148.62 0.09 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.057 2.943 . . . . 0.0 112.907 164.828 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -117.9 157.76 26.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.895 1.278 . . . . 0.0 113.305 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -146.27 139.02 25.46 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.96 1.304 . . . . 0.0 111.594 171.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 124.57 27.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.849 1.66 . . . . 0.0 109.453 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 37.0 pt -129.71 156.18 79.23 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.669 2.388 . . . . 0.0 111.467 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.95 151.23 73.64 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 121.501 1.467 . . . . 0.0 111.372 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.19 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.13 -24.79 68.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.276 -0.89 . . . . 0.0 112.684 174.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 86.7 t -89.34 -38.91 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.125 0.97 . . . . 0.0 110.727 172.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.42 -22.21 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.037 0.835 . . . . 0.0 112.744 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.96 -17.94 68.73 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.835 1.207 . . . . 0.0 114.346 172.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -90.94 -39.91 12.0 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.329 1.451 . . . . 0.0 112.409 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 125.278 1.431 . . . . 0.0 109.907 178.062 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.791 0.805 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -70.76 128.17 35.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.0 pt -141.08 164.21 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.837 0.855 . . . . 0.0 112.265 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 893' ' ' CYS . . . . . 0.489 ' SG ' ' HE3' ' A' ' 873' ' ' LYS . 13.6 m -48.14 -45.95 33.81 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.906 0.882 . . . . 0.0 112.798 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.25 -13.97 62.48 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.798 -1.189 . . . . 0.0 113.91 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -12.37 28.62 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.746 1.618 . . . . 0.0 113.213 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.92 135.47 48.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.207 1.403 . . . . 0.0 112.732 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 14.6 m -58.05 -41.88 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.835 1.254 . . . . 0.0 113.708 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -85.21 98.59 10.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.204 1.002 . . . . 0.0 111.795 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.84 -18.09 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.551 1.94 . . . . 0.0 113.945 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.29 -24.38 65.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.504 1.522 . . . . 0.0 113.407 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -132.17 14.16 4.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.953 1.301 . . . . 0.0 113.882 -174.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.7 40.09 1.01 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.938 2.095 . . . . 0.0 114.519 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.61 146.59 36.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.127 1.371 . . . . 0.0 110.553 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 75.6 m -61.31 -10.22 6.66 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.358 1.063 . . . . 0.0 112.943 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 34.9 m -93.31 -16.68 24.44 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.171 1.388 . . . . 0.0 113.439 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 906' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 9.0 mmpt? -79.41 177.02 9.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 87.5 p -97.41 -164.97 1.2 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.86 2.864 . . . . 0.0 113.123 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -150.31 167.49 26.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.04 1.736 . . . . 0.0 111.182 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.82 -34.81 68.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -146.81 135.08 21.74 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.548 1.539 . . . . 0.0 111.241 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 5.6 p -65.19 162.01 18.05 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.434 1.015 . . . . 0.0 112.811 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -66.09 -22.66 66.41 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -168.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -77.86 -5.61 51.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.915 1.286 . . . . 0.0 113.947 170.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -108.73 -45.3 3.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.991 1.716 . . . . 0.0 111.231 171.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.272 1.0 OUTLIER -78.85 14.96 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 123.608 1.671 . . . . 0.0 115.23 174.563 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -107.29 -35.77 6.72 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 120.495 -1.378 . . . . 0.0 112.825 156.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.81 -32.65 73.35 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.685 1.594 . . . . 0.0 113.478 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.45 -30.27 68.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.642 0.777 . . . . 0.0 112.563 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.91 -30.78 10.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.706 1.202 . . . . 0.0 112.852 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.8 7.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.279 1.419 . . . . 0.0 113.303 -176.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 50.1 pt . . . . . 0 N--CA 1.474 0.76 0 C-N-CA 126.073 1.749 . . . . 0.0 112.818 -172.614 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -166.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.741 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -113.83 -172.27 2.05 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.944 0.898 . . . . 0.0 111.973 -160.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -101.41 172.67 6.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.721 0.772 . . . . 0.0 111.908 170.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -146.61 141.81 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.665 1.586 . . . . 0.0 109.691 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.29 148.22 22.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.907 0.883 . . . . 0.0 111.106 175.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.79 124.15 23.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.07 0.462 . . . . 0.0 111.296 164.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.54 -4.67 12.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.405 1.482 . . . . 0.0 113.876 166.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -122.33 -16.31 7.41 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.045 1.293 . . . . 0.0 114.12 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.274 17.0 p -124.73 -110.78 0.31 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.283 1.033 . . . . 0.0 110.992 155.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -169.52 -2.13 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.605 2.362 . . . . 0.0 115.561 -173.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -53.36 153.39 3.99 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.841 1.656 . . . . 0.0 112.507 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -108.64 149.0 29.55 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.362 1.065 . . . . 0.0 113.008 170.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -131.68 133.38 44.82 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.586 1.554 . . . . 0.0 110.63 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -72.31 124.14 24.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.496 1.119 . . . . 0.0 109.781 169.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -132.55 153.35 81.12 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 125.793 1.637 . . . . 0.0 111.581 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 147.03 70.45 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.699 1.599 . . . . 0.0 112.189 171.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.437 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -54.97 -17.97 4.43 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.194 1.398 . . . . 0.0 114.142 175.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.0 m -59.24 -26.28 64.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.345 1.458 . . . . 0.0 113.282 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -27.12 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 882' ' ' VAL . . . . . 0.741 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.6 m -59.53 -29.88 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.891 0.769 . . . . 0.0 112.573 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -84.07 1.85 88.31 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.183 1.849 . . . . 0.0 115.005 173.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 27.6 t -123.96 -25.3 4.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.584 1.954 . . . . 0.0 113.132 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.546 0.81 0 O-C-N 121.263 -0.898 . . . . 0.0 109.152 166.686 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -83.28 134.34 34.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.903 1.681 . . . . 0.0 110.184 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -139.85 162.79 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.054 -1.029 . . . . 0.0 113.071 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.8 m -50.23 -42.1 51.11 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.322 1.049 . . . . 0.0 113.554 174.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 46.5 tpp -67.62 -22.26 65.35 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.122 1.328 . . . . 0.0 113.022 -177.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -13.15 49.93 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.467 1.507 . . . . 0.0 113.229 174.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.2 134.36 49.63 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.976 1.311 . . . . 0.0 112.908 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 49.3 m -56.59 -42.69 79.13 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.415 1.486 . . . . 0.0 113.74 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.54 98.51 10.17 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.037 0.935 . . . . 0.0 111.904 -173.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.55 -19.68 50.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.891 1.676 . . . . 0.0 113.696 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -65.67 -25.92 67.56 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.876 1.671 . . . . 0.0 113.527 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.05 5.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -172.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -79.7 40.69 0.46 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.59 2.756 . . . . 0.0 115.006 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -145.71 151.47 38.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.986 0.914 . . . . 0.0 110.685 163.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.2 -14.18 3.9 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 124.336 1.054 . . . . 0.0 112.099 165.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 48.8 m -94.75 -19.44 20.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.206 1.402 . . . . 0.0 113.036 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.71 175.88 8.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.703 0.801 . . . . 0.0 113.103 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 97.0 p -82.93 -168.03 1.9 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.567 2.347 . . . . 0.0 113.935 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -153.22 164.0 38.87 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.688 2.795 . . . . 0.0 109.247 169.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -68.35 -30.18 69.08 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.71 -1.244 . . . . 0.0 113.76 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.3 mtt -144.88 125.85 14.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.841 0.856 . . . . 0.0 110.97 175.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -62.5 159.99 14.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.59 -29.78 64.76 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -165.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.49 -3.91 59.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.264 1.826 . . . . 0.0 115.04 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -103.67 -37.13 7.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.02 1.728 . . . . 0.0 113.014 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.5 tp -63.72 -55.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.956 1.253 . . . . 0.0 110.638 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -53.95 -29.82 44.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.938 -1.101 . . . . 0.0 113.486 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.23 -34.81 78.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.884 1.674 . . . . 0.0 114.258 171.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -65.77 -37.14 85.51 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.001 0.819 . . . . 0.0 112.125 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.3 -28.86 47.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.102 0.961 . . . . 0.0 112.361 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.33 36.9 6.82 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.66 1.6 . . . . 0.0 113.547 178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 27.9 pt . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 126.201 1.8 . . . . 0.0 112.407 -168.648 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 121.31 0.576 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 124.464 1.106 . . . . 0.0 111.647 175.858 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 48.9 m -79.69 -5.71 55.71 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -82.71 56.71 3.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.701 2.0 . . . . 0.0 109.887 171.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -57.97 155.73 10.3 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.469 1.508 . . . . 0.0 113.123 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -67.42 156.93 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -165.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 56.1 p 56.72 177.34 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 128.117 2.567 . . . . 0.0 115.044 -172.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 8.1 p -159.18 156.05 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.827 1.651 . . . . 0.0 110.637 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -91.72 -141.4 9.88 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.464 1.03 . . . . 0.0 112.015 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 42.3 m -152.57 147.89 26.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.172 1.789 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 58.78 175.85 0.07 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.717 1.607 . . . . 0.0 115.164 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -103.43 -43.65 5.35 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.645 1.578 . . . . 0.0 111.766 170.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 861' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 862' ' ' GLU . 0.2 OUTLIER 55.12 -152.33 0.36 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 126.173 1.789 . . . . 0.0 112.436 178.208 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 862' ' ' GLU . . . . . 0.449 ' H ' HG22 ' A' ' 861' ' ' THR . 66.2 mt-10 -73.75 -178.75 3.3 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.49 1.516 . . . . 0.0 112.307 169.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 46.9 m -45.35 136.08 5.62 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.857 1.663 . . . . 0.0 114.625 -173.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -120.59 -178.57 3.74 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.592 1.557 . . . . 0.0 112.807 -160.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 865' ' ' TRP . . . . . 0.422 ' CZ2' ' HD3' ' A' ' 876' ' ' ARG . 71.1 m95 -102.67 173.03 6.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.503 0.668 . . . . 0.0 111.472 160.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.98 143.15 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.293 1.437 . . . . 0.0 110.415 164.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.48 144.51 25.49 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.345 1.458 . . . . 0.0 110.887 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.99 125.61 27.33 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.15 0.5 . . . . 0.0 111.045 162.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -82.32 1.49 36.74 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 168.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -103.01 -28.67 11.86 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.178 -0.951 . . . . 0.0 112.519 174.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.262 16.5 p -121.46 -110.15 0.34 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.269 1.428 . . . . 0.0 110.632 159.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.61 -6.2 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.337 2.255 . . . . 0.0 115.888 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.598 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.1 tmmm? -47.91 149.92 1.24 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.957 2.103 . . . . 0.0 112.541 171.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.428 ' CE2' HCM1 ' B' ' 4' ' ' MLZ . 78.6 m95 -112.21 153.8 26.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.023 0.929 . . . . 0.0 113.374 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.98 138.6 30.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.961 1.304 . . . . 0.0 110.759 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 876' ' ' ARG . . . . . 0.422 ' HD3' ' CZ2' ' A' ' 865' ' ' TRP . 8.1 tpt180 -77.92 128.83 34.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.562 1.145 . . . . 0.0 109.751 174.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.54 155.1 81.9 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 125.494 1.518 . . . . 0.0 111.998 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -67.25 149.76 81.44 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 121.416 1.411 . . . . 0.0 110.68 164.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.01 46.62 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.1 m -62.46 -25.47 68.0 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.092 -1.005 . . . . 0.0 112.688 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.8 t -86.45 -38.8 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.829 0.852 . . . . 0.0 110.631 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -20.41 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.9 0.773 . . . . 0.0 112.753 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.12 -18.32 65.17 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.897 1.236 . . . . 0.0 114.269 170.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -89.57 -41.69 11.85 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 112.082 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.12 115.58 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 125.556 1.543 . . . . 0.0 109.043 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -89.21 173.11 8.59 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.22 1.408 . . . . 0.0 110.559 164.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -59.43 -35.83 74.74 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.431 -1.418 . . . . 0.0 111.566 170.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 21.6 t -74.22 -19.9 60.37 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 33.3 m -71.58 120.2 16.82 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.272 -0.893 . . . . 0.0 110.673 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -85.02 84.14 7.82 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.603 0.716 . . . . 0.0 111.239 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -82.35 131.72 35.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.149 174.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.9 pt -140.98 162.91 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.168 0.987 . . . . 0.0 112.09 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.598 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.8 m -50.18 -45.69 53.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -62.59 -26.0 68.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.755 1.161 . . . . 0.0 112.442 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -13.44 52.5 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.643 1.577 . . . . 0.0 113.49 176.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -54.58 137.95 42.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.009 1.324 . . . . 0.0 112.881 -172.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 68.7 m -55.36 -44.39 75.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.252 1.421 . . . . 0.0 113.83 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -91.02 102.66 15.43 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.536 1.134 . . . . 0.0 112.079 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -59.99 -19.31 51.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.944 1.698 . . . . 0.0 113.86 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -67.19 -24.03 65.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.725 1.61 . . . . 0.0 113.033 172.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -127.68 3.44 6.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.23 41.14 0.59 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.043 2.537 . . . . 0.0 114.94 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.55 150.96 33.07 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.103 1.361 . . . . 0.0 111.83 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.7 m -57.02 -21.52 31.6 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.674 1.59 . . . . 0.0 112.283 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 59.9 m -89.65 -17.55 28.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.381 1.472 . . . . 0.0 113.481 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.0 170.75 16.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.747 0.819 . . . . 0.0 113.098 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -83.31 -163.12 0.7 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.31 1.444 . . . . 0.0 112.457 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -149.25 166.26 29.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.256 1.823 . . . . 0.0 112.459 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -67.21 -30.14 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -153.94 130.65 10.78 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.744 1.618 . . . . 0.0 110.163 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -63.69 155.75 29.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.509 0.723 . . . . 0.0 111.318 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -59.33 -34.0 71.82 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -163.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -80.41 -11.6 59.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.439 1.496 . . . . 0.0 114.265 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -93.02 -44.57 8.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.588 1.555 . . . . 0.0 111.113 172.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.48 ' CG1' HCM3 ' B' ' 4' ' ' MLZ . 2.5 tp -65.4 -53.53 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.441 0.564 . . . . 0.0 111.742 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -56.03 -29.74 60.87 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 120.359 -1.463 . . . . 0.0 113.41 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -70.5 -35.3 73.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.264 1.826 . . . . 0.0 114.321 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.87 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.484 1.113 . . . . 0.0 112.361 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.93 -34.78 51.12 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.815 0.846 . . . . 0.0 112.097 171.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.07 5.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.639 1.59 . . . . 0.0 113.168 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.1 pt -135.08 167.31 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.565 1.546 . . . . 0.0 113.488 -166.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -90.13 37.16 3.4 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.992 1.758 . . . . 0.0 115.37 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -70.05 160.38 32.09 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.763 1.282 . . . . 0.0 111.032 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 7.2 t70 73.51 -15.13 0.58 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.666 2.787 . . . . 0.0 115.363 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -56.56 -25.59 52.7 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.283 1.833 . . . . 0.0 113.703 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -50.85 -38.29 48.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.911 2.085 . . . . 0.0 114.474 170.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 59.01 7.23 0.78 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.468 1.907 . . . . 0.0 114.835 -167.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 C-N-CA 125.947 1.699 . . . . 0.0 113.254 -176.339 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.74 122.38 19.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.103 0.961 . . . . 0.0 110.448 171.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.9 t -156.53 -164.62 1.7 Allowed 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.981 0.809 . . . . 0.0 112.817 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.48 HCM3 ' CG1' ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -148.32 128.05 13.36 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.392 1.092 . . . . 0.0 113.608 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.43 130.8 45.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.965 2.106 . . . . 0.0 114.415 -170.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.15 50.78 1.92 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.204 1.801 . . . . 0.0 112.036 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -140.96 102.19 4.21 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.539 1.936 . . . . 0.0 110.645 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.273 1.829 . . . . 0.0 112.564 174.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 59.9 p -152.65 -175.21 5.2 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.087 1.355 . . . . 0.0 111.838 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -68.1 -21.51 64.95 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -175.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 853' ' ' ARG . . . . . 0.411 ' HD2' ' H ' ' A' ' 853' ' ' ARG . 0.0 OUTLIER -86.16 171.54 11.24 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.29 0.95 . . . . 0.0 112.381 -179.323 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -147.38 167.27 24.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.532 1.533 . . . . 0.0 112.031 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 75.5 p -106.78 169.78 8.33 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.992 2.117 . . . . 0.0 113.379 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 7.1 p -156.31 154.77 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.201 1.8 . . . . 0.0 110.203 170.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -64.69 -42.19 97.34 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 123.746 0.689 . . . . 0.0 114.105 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 8.4 t 60.2 177.73 0.09 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.686 1.994 . . . . 0.0 114.209 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -140.02 144.77 37.09 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 127.104 2.162 . . . . 0.0 109.464 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -64.68 -60.03 3.58 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -168.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 861' ' ' THR . . . . . 0.616 HG22 ' H ' ' A' ' 862' ' ' GLU . 17.3 m 56.54 -166.21 0.13 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.244 1.018 . . . . 0.0 110.893 -167.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 862' ' ' GLU . . . . . 0.616 ' H ' HG22 ' A' ' 861' ' ' THR . 44.1 tt0 -81.35 -33.29 32.53 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 119.335 -2.103 . . . . 0.0 112.556 168.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 94.5 p -149.45 154.45 38.85 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.985 2.114 . . . . 0.0 110.022 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -147.17 178.91 8.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.556 1.142 . . . . 0.0 111.053 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -97.08 175.38 6.33 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.9 -1.125 . . . . 0.0 114.014 170.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.3 p -151.45 143.19 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 127.068 2.147 . . . . 0.0 110.03 168.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -93.13 137.26 32.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.24 1.016 . . . . 0.0 111.526 171.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 123.35 19.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.963 0.905 . . . . 0.0 111.643 170.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.65 -16.42 60.93 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.076 1.351 . . . . 0.0 114.116 171.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -101.55 -15.77 16.99 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.719 1.145 . . . . 0.0 113.518 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.32 -106.39 0.37 Allowed 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.941 1.696 . . . . 0.0 111.535 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 52.3 p90 169.46 -18.88 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.983 1 C-N-CA 133.322 4.649 . . . . 0.0 108.967 -167.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.462 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -37.71 137.05 0.49 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.707 2.803 . . . . 0.0 111.825 167.501 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -103.11 155.27 18.52 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.461 1.104 . . . . 0.0 111.398 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -146.28 133.94 21.06 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.152 0.981 . . . . 0.0 110.88 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -84.95 108.78 17.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.393 1.477 . . . . 0.0 109.186 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 45.0 pt -110.94 156.04 41.45 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 128.287 2.635 . . . . 0.0 110.943 -174.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.97 147.58 80.44 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 121.186 1.257 . . . . 0.0 110.939 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.35 -21.78 16.68 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.2 m -62.61 -24.99 67.86 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.203 -0.936 . . . . 0.0 112.606 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.29 -38.37 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.172 0.989 . . . . 0.0 110.864 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -23.35 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.02 0.827 . . . . 0.0 112.586 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -80.35 -19.85 68.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.599 1.095 . . . . 0.0 114.292 172.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.8 t -88.33 -41.48 12.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.38 135.3 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.401 1.48 . . . . 0.0 110.496 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -146.51 179.98 7.16 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.784 1.634 . . . . 0.0 112.237 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.15 -26.83 61.2 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.718 1.207 . . . . 0.0 112.855 169.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 85.4 p -82.26 -13.74 56.57 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 37.0 m -80.18 164.25 23.43 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.09 1.356 . . . . 0.0 113.514 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -137.62 66.27 1.46 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.307 1.843 . . . . 0.0 110.283 173.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -72.28 130.53 41.0 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.935 0.894 . . . . 0.0 110.024 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.8 pt -140.35 163.71 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.846 0.858 . . . . 0.0 112.762 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.462 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 17.9 m -48.53 -44.01 35.91 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.022 0.929 . . . . 0.0 113.176 175.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.72 -24.59 67.75 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.941 1.246 . . . . 0.0 113.098 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -11.22 46.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.569 1.548 . . . . 0.0 113.506 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -53.55 137.18 37.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.168 1.387 . . . . 0.0 113.031 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.6 m -55.59 -44.86 77.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.082 1.353 . . . . 0.0 113.834 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.95 102.26 14.96 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.877 1.271 . . . . 0.0 112.086 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -60.74 -17.47 48.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.069 1.748 . . . . 0.0 114.006 -174.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.21 -23.25 66.4 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.555 1.542 . . . . 0.0 113.649 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -131.09 7.08 4.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 114.746 -173.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -86.56 42.01 0.98 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.109 2.163 . . . . 0.0 114.193 -167.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.13 146.21 36.74 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.942 1.297 . . . . 0.0 110.701 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.42 -16.55 37.01 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.299 1.04 . . . . 0.0 112.349 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.6 m -92.24 -16.72 25.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.441 1.497 . . . . 0.0 113.75 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 906' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 4.8 mmpt? -78.7 171.44 15.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 122.787 1.279 . . . . 0.0 113.862 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 98.2 p -78.88 -165.26 0.71 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 128.508 2.723 . . . . 0.0 112.571 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -147.16 173.46 12.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.802 1.641 . . . . 0.0 112.23 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -29.28 70.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.591 1.156 . . . . 0.0 113.228 -174.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 59.0 mtt -158.98 136.31 9.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.149 2.179 . . . . 0.0 110.091 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.4 m -62.2 154.75 26.47 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.109 1.322 . . . . 0.0 111.158 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -56.77 -35.69 68.96 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.627 -0.67 . . . . 0.0 112.652 -169.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.23 -11.27 59.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.278 1.431 . . . . 0.0 114.074 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -99.55 -37.97 8.95 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.711 1.605 . . . . 0.0 112.321 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -56.23 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 119.154 0.888 . . . . 0.0 111.416 173.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -51.4 -32.14 25.18 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 119.88 1.218 . . . . 0.0 113.671 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.29 -37.95 78.97 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.195 2.198 . . . . 0.0 114.355 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.37 -40.71 98.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.259 1.424 . . . . 0.0 112.72 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 919' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 919' ' ' LEU . 1.6 mp -85.96 -24.43 26.52 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.543 0.737 . . . . 0.0 111.984 174.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.52 40.57 4.42 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.361 1.457 . . . . 0.0 113.184 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 46.2 pt -131.38 170.66 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.34 1.856 . . . . 0.0 111.972 -172.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -88.61 -24.38 33.42 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.055 0.836 . . . . 0.0 115.161 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 59.23 170.61 0.07 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.432 1.493 . . . . 0.0 112.669 -153.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -108.74 -23.21 11.88 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.19 -35.02 75.82 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . 62.9 -43.07 0.19 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 130.115 3.366 . . . . 0.0 115.69 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -81.74 4.17 22.94 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.573 1.949 . . . . 0.0 114.392 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.533 1.533 . . . . 0.0 113.321 177.31 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 119.272 -0.394 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 154.24 1.3 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.652 1.581 . . . . 0.0 114.286 -176.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -168.01 -159.16 0.28 Allowed 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -168.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -137.56 98.49 3.7 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -170.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -67.7 130.16 42.16 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.426 1.091 . . . . 0.0 112.88 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.43 17.14 13.83 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.356 1.463 . . . . 0.0 113.654 -176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.08 40.86 2.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.292 1.437 . . . . 0.0 113.407 -177.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.032 1.733 . . . . 0.0 112.278 176.56 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.434 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 14.8 m -70.04 -7.54 41.95 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -167.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -78.47 50.01 0.91 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.282 2.233 . . . . 0.0 111.106 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -70.49 -37.36 74.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.11 1.364 . . . . 0.0 113.725 -172.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 56.77 169.36 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.707 2.403 . . . . 0.0 115.322 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 67.6 p 25.51 -136.08 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.013 2.925 . . . . 0.0 118.164 160.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 34.4 m -137.05 164.76 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -148.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -155.27 128.19 2.23 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 127.853 2.644 . . . . 0.0 108.529 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 36.7 m -149.96 146.82 27.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.88 1.672 . . . . 0.0 110.381 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -76.96 132.73 39.18 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.515 -0.74 . . . . 0.0 111.919 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -137.02 -49.19 0.62 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.66 1.584 . . . . 0.0 111.655 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.27 134.13 16.82 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.237 1.415 . . . . 0.0 112.877 177.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 55.19 162.16 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.734 2.814 . . . . 0.0 118.306 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 69.4 m -50.46 134.62 23.49 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.446 1.498 . . . . 0.0 110.921 164.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -128.49 -174.13 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.909 1.284 . . . . 0.0 111.45 -152.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -104.94 172.58 6.71 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 169.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.8 p -147.55 144.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.503 1.921 . . . . 0.0 110.263 168.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -87.03 139.3 30.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.036 0.934 . . . . 0.0 110.816 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.46 126.01 29.22 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.344 0.657 . . . . 0.0 111.439 170.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -64.22 -29.62 70.71 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -85.23 -51.44 6.61 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.887 0.875 . . . . 0.0 111.185 -170.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.297 17.0 p -92.26 -104.09 0.11 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.328 0.651 . . . . 0.0 110.578 165.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 872' ' ' PHE . . . . . 0.4 ' H ' ' H ' ' A' ' 873' ' ' LYS . 38.7 p90 -177.12 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.563 2.745 . . . . 0.0 114.243 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.4 ' H ' ' H ' ' A' ' 872' ' ' PHE . 17.7 ttpt -45.73 150.53 0.51 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.135 2.174 . . . . 0.0 113.651 176.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.471 ' CH2' ' HE2' ' B' ' 4' ' ' MLZ . 77.8 m95 -95.1 148.58 22.21 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.277 0.631 . . . . 0.0 111.972 168.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -139.79 135.16 32.76 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 111.104 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -76.72 131.79 38.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.7 pt -136.17 157.91 74.71 Favored Pre-proline 0 N--CA 1.473 0.684 0 C-N-CA 127.01 2.124 . . . . 0.0 111.62 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -66.69 148.8 83.57 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 121.452 1.435 . . . . 0.0 111.164 165.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.17 -20.85 57.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.43 -25.2 68.17 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.266 -0.896 . . . . 0.0 112.689 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.99 -37.3 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.703 0.801 . . . . 0.0 110.479 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -17.99 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.134 0.879 . . . . 0.0 113.125 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.99 -19.69 62.54 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.552 1.072 . . . . 0.0 114.101 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -87.96 -45.55 10.13 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.006 1.323 . . . . 0.0 112.219 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp -78.83 118.88 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.428 1.491 . . . . 0.0 108.61 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -121.88 -159.0 0.8 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -173.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -49.35 -29.67 6.51 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.335 1.454 . . . . 0.0 113.277 169.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 78.5 p -134.36 -5.51 2.62 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 -169.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 50.8 m -57.73 172.3 0.39 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.511 1.524 . . . . 0.0 113.95 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -127.53 131.46 50.06 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 125.128 1.371 . . . . 0.0 112.104 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -143.8 134.72 25.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.748 2.019 . . . . 0.0 112.699 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 23.5 pt -141.09 162.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.598 1.159 . . . . 0.0 112.515 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 65.4 m -49.09 -43.76 41.51 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.003 0.921 . . . . 0.0 113.479 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.9 tpp -62.13 -25.25 67.63 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.349 1.431 . . . . 0.0 112.827 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -11.28 50.01 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.769 1.628 . . . . 0.0 113.747 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -52.69 135.44 35.05 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.487 1.515 . . . . 0.0 112.982 -173.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 50.9 m -52.79 -43.4 65.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.11 1.764 . . . . 0.0 114.091 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.93 105.56 17.91 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.112 0.965 . . . . 0.0 112.35 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -59.94 -16.11 27.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.298 1.839 . . . . 0.0 113.382 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.45 67.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.643 1.977 . . . . 0.0 112.542 171.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -139.78 21.17 2.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.39 1.476 . . . . 0.0 113.496 -173.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.56 41.01 1.04 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.886 1.674 . . . . 0.0 114.261 -172.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -147.13 146.75 30.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.791 1.636 . . . . 0.0 110.607 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 70.8 m -56.67 -26.02 55.35 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 121.574 -0.704 . . . . 0.0 111.62 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.6 m -83.66 -19.39 35.46 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.948 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -72.92 176.3 5.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.377 1.071 . . . . 0.0 113.303 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 10.0 t -80.52 -162.09 0.43 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.726 1.21 . . . . 0.0 112.023 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -150.57 163.74 37.72 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.438 1.895 . . . . 0.0 111.241 173.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.29 -31.16 72.24 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.8 mtt -154.3 131.68 11.23 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.757 1.623 . . . . 0.0 110.377 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.17 159.21 15.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 0.0 111.178 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.08 -29.53 70.66 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.037 -1.04 . . . . 0.0 112.289 -169.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -74.92 -7.36 53.33 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.379 1.472 . . . . 0.0 114.382 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -105.32 -43.63 4.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 111.025 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.526 HG13 ' HZ ' ' B' ' 4' ' ' MLZ . 1.0 OUTLIER -79.38 7.7 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 178.553 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 120.01 -1.681 . . . . 0.0 112.918 156.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.98 -34.14 77.42 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.192 1.397 . . . . 0.0 113.867 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -63.23 -33.0 74.55 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.44 -27.68 15.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.049 0.94 . . . . 0.0 112.285 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 92.94 31.92 8.27 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.107 1.337 . . . . 0.0 113.107 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 48.8 pt -105.23 166.5 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.369 1.867 . . . . 0.0 112.062 -175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -99.91 27.45 20.2 Favored Glycine 0 N--CA 1.473 1.162 0 C-N-CA 125.549 1.547 . . . . 0.0 115.188 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.29 160.05 25.3 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -172.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 67.47 -8.32 0.49 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 128.478 2.711 . . . . 0.0 115.602 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 56.87 -62.94 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 1 C-N-CA 131.963 4.105 . . . . 0.0 115.855 167.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -68.89 -46.92 67.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.834 1.254 . . . . 0.0 110.595 164.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 22.2 t0 55.34 11.53 0.59 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.617 1.967 . . . . 0.0 114.699 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.305 1.842 . . . . 0.0 113.46 177.105 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -59.06 131.39 50.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.016 1.726 . . . . 0.0 110.746 175.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.5 t -153.58 -167.51 2.71 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 161.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.526 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -143.44 106.43 4.51 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p -76.97 128.69 34.99 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.24 1.416 . . . . 0.0 112.588 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.87 41.96 0.52 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.547 1.539 . . . . 0.0 113.12 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -142.59 98.6 3.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.94 2.096 . . . . 0.0 109.857 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 38.6 t80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.208 1.403 . . . . 0.0 112.131 -174.335 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 23.0 t -64.96 153.38 40.72 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.062 0.945 . . . . 0.0 113.137 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 57.28 24.73 10.29 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 127.36 2.264 . . . . 0.0 115.573 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -18.68 62.17 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.781 1.232 . . . . 0.0 113.12 168.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -98.68 142.96 29.59 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 172.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 88.7 p -170.76 -178.85 2.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.231 3.012 . . . . 0.0 110.253 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.22 163.62 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 125.633 1.573 . . . . 0.0 111.894 172.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -89.41 -135.96 5.82 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.164 1.364 . . . . 0.0 112.974 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.8 t -102.2 166.63 10.48 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.584 1.554 . . . . 0.0 112.705 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -94.87 0.08 54.48 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.376 1.47 . . . . 0.0 114.91 171.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -76.1 -50.68 14.01 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 127.506 2.322 . . . . 0.0 112.555 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 1.7 m -64.95 153.5 40.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.594 1.558 . . . . 0.0 112.626 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -159.29 0.12 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.1 0.96 . . . . 0.0 111.906 172.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 82.2 p -46.63 135.21 8.9 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.241 1.416 . . . . 0.0 113.805 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.44 -175.93 3.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.198 1.399 . . . . 0.0 111.128 -165.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -105.61 176.67 5.09 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.49 -0.756 . . . . 0.0 112.599 171.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.86 140.04 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 110.746 165.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 867' ' ' ARG . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 16.8 ttt85 -93.02 140.17 29.76 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.895 1.278 . . . . 0.0 110.231 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.8 t -68.42 128.37 36.35 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.908 0.883 . . . . 0.0 112.981 172.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.1 -13.91 62.42 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 169.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -99.54 -27.2 13.82 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.59 1.086 . . . . 0.0 112.793 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 16.6 p -123.74 -103.2 0.38 Allowed 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 124.819 1.248 . . . . 0.0 111.867 165.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -175.08 -11.13 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.195 2.598 . . . . 0.0 114.509 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.551 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 1.8 tmmm? -48.1 146.94 2.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.854 2.062 . . . . 0.0 112.85 175.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.521 ' CH2' ' HE2' ' B' ' 4' ' ' MLZ . 89.5 m95 -102.59 151.14 22.68 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.057 0.943 . . . . 0.0 113.232 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.58 135.38 28.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.997 1.319 . . . . 0.0 110.58 174.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -76.52 127.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.833 1.253 . . . . 0.0 109.639 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 36.6 pt -131.04 153.96 81.9 Favored Pre-proline 0 N--CA 1.471 0.622 0 C-N-CA 125.971 1.708 . . . . 0.0 111.667 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -67.88 150.81 78.59 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.231 1.287 . . . . 0.0 110.533 165.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.89 -22.78 27.52 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -60.58 -28.8 68.76 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.742 1.217 . . . . 0.0 112.563 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 89.3 t -86.63 -38.46 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -19.47 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.115 0.871 . . . . 0.0 112.887 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.12 -23.26 38.48 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 125.13 1.348 . . . . 0.0 114.436 169.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.7 t -80.74 -37.87 29.73 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.786 1.235 . . . . 0.0 112.174 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.91 120.74 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.733 1.613 . . . . 0.0 107.486 169.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.09 171.04 12.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.798 1.239 . . . . 0.0 111.869 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -55.56 -22.99 24.36 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.107 1.363 . . . . 0.0 113.933 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 88.7 p -118.56 3.36 11.77 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.399 1.88 . . . . 0.0 114.691 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 44.3 m -66.54 129.97 41.62 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.726 1.148 . . . . 0.0 112.859 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.51 76.21 9.38 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.299 1.44 . . . . 0.0 111.796 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -77.51 132.39 38.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.426 0.691 . . . . 0.0 109.672 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.7 pt -139.68 162.1 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.844 0.857 . . . . 0.0 112.852 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.551 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.5 m -49.88 -41.88 46.51 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.489 1.116 . . . . 0.0 113.964 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.01 -31.52 70.01 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.918 1.236 . . . . 0.0 112.214 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -11.37 57.12 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.922 1.689 . . . . 0.0 113.382 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -53.31 138.0 33.58 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.201 1.4 . . . . 0.0 113.011 -172.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -53.13 -43.65 67.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.263 1.425 . . . . 0.0 114.172 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.37 103.99 15.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.983 1.313 . . . . 0.0 111.692 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.74 -20.94 59.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.653 1.581 . . . . 0.0 113.611 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -67.2 -23.76 65.78 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.882 1.673 . . . . 0.0 114.018 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -124.85 5.29 8.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.321 1.448 . . . . 0.0 114.359 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.95 41.37 0.74 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.785 2.434 . . . . 0.0 114.706 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.11 152.89 36.93 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.217 1.007 . . . . 0.0 111.895 164.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 65.3 m -56.41 -19.02 13.0 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.284 1.833 . . . . 0.0 112.274 171.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.9 m -89.32 -20.45 24.03 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.716 1.606 . . . . 0.0 112.383 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -80.93 173.5 12.55 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.392 1.091 . . . . 0.0 113.426 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 90.5 p -82.48 -166.67 1.34 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.582 2.353 . . . . 0.0 113.339 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -149.01 166.18 29.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.827 2.051 . . . . 0.0 110.932 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.37 -33.62 76.28 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 25.0 mmt -150.37 131.94 14.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.92 1.688 . . . . 0.0 111.169 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.2 m -62.2 160.93 12.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.106 0.963 . . . . 0.0 111.381 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -22.89 63.21 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.76 -1.212 . . . . 0.0 112.37 -167.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.45 -19.19 62.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.079 1.351 . . . . 0.0 113.483 168.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -97.41 -45.06 6.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.254 1.421 . . . . 0.0 111.72 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.495 HG13 ' HZ ' ' B' ' 4' ' ' MLZ 0.287 1.4 tp -79.2 15.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.699 1.741 . . . . 0.0 115.699 175.603 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.9 p30 -106.43 -34.99 7.24 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.513 -1.367 . . . . 0.0 112.916 154.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -68.24 -32.59 72.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.455 . . . . 0.0 113.956 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -61.12 -30.26 70.27 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.945 0.898 . . . . 0.0 112.506 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.55 -33.72 10.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.358 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.74 40.38 4.41 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.137 1.351 . . . . 0.0 112.862 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 45.2 pt -115.92 168.54 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.264 1.826 . . . . 0.0 112.265 -174.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -92.94 -7.85 62.29 Favored Glycine 0 N--CA 1.473 1.11 0 N-CA-C 116.997 1.559 . . . . 0.0 116.997 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -58.63 142.15 50.33 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.062 0.934 . . . . 0.0 113.372 -169.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 59.47 -3.74 0.1 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.856 2.862 . . . . 0.0 116.674 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 61.77 -44.72 0.15 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 131.459 3.904 . . . . 0.0 117.643 168.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -142.68 -44.19 0.31 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.502 1.521 . . . . 0.0 113.628 -168.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 19.8 t0 58.23 11.41 1.56 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.646 1.578 . . . . 0.0 114.505 -168.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.374 0 C-N-CA 126.023 1.729 . . . . 0.0 113.446 176.792 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 867' ' ' ARG . . . . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 118.825 -0.607 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 155.19 7.41 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.054 0.942 . . . . 0.0 112.187 -171.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.9 t -158.74 -164.22 1.4 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -169.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.521 ' HE2' ' CH2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -112.39 95.02 5.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.6 1.16 . . . . 0.0 110.643 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.71 134.34 56.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.451 1.5 . . . . 0.0 114.472 -170.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.81 17.36 16.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.226 1.81 . . . . 0.0 113.227 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.16 120.03 14.36 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 127.462 2.305 . . . . 0.0 108.155 -176.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.53 2.332 . . . . 0.0 112.27 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 17.7 m -76.64 47.24 0.48 Allowed 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.09 1.756 . . . . 0.0 115.038 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -61.88 -14.86 37.82 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.641 1.577 . . . . 0.0 114.469 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -61.36 -35.89 78.71 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.517 1.527 . . . . 0.0 112.634 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -91.39 149.98 21.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.031 0.933 . . . . 0.0 113.012 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 90.6 p -174.73 176.65 2.22 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.186 2.195 . . . . 0.0 111.568 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.2 m -62.23 170.55 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.744 1.618 . . . . 0.0 113.198 168.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -78.84 -138.61 1.49 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.72 1.153 . . . . 0.0 112.09 170.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 83.8 p -158.54 165.81 33.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.131 1.373 . . . . 0.0 112.866 -173.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.2 152.25 46.08 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.648 -0.657 . . . . 0.0 110.715 163.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -53.49 -48.01 69.33 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.384 1.073 . . . . 0.0 113.752 -162.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 861' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 862' ' ' GLU . 17.4 m 58.34 -167.46 0.14 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.315 1.046 . . . . 0.0 111.385 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 862' ' ' GLU . . . . . 0.524 ' H ' HG22 ' A' ' 861' ' ' THR . 16.3 tt0 -76.82 169.64 17.93 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 119.602 -1.936 . . . . 0.0 111.118 158.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 45.3 m -51.99 136.23 29.34 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.553 1.541 . . . . 0.0 113.453 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -142.84 176.95 8.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.992 0.917 . . . . 0.0 112.671 -159.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 865' ' ' TRP . . . . . 0.418 ' HE1' ' HG1' ' B' ' 6' ' ' THR . 72.6 m95 -88.2 170.41 11.05 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.766 -1.209 . . . . 0.0 113.713 175.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.22 142.64 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 109.39 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -89.66 142.2 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.227 1.411 . . . . 0.0 111.534 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 53.3 t -67.1 122.78 18.56 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.254 0.622 . . . . 0.0 111.512 165.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.52 -11.88 61.09 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -97.74 -28.21 13.99 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.426 1.012 . . . . 0.0 113.023 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.296 12.1 p -127.53 -96.76 0.41 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.645 1.178 . . . . 0.0 112.129 170.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -165.84 -17.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.141 2.176 . . . . 0.0 114.133 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.13 134.32 0.82 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.047 2.139 . . . . 0.0 113.383 -175.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.565 ' CD2' HCM2 ' B' ' 4' ' ' MLZ . 67.4 m95 -102.74 147.69 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.677 0.791 . . . . 0.0 111.247 -176.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -144.67 137.2 26.45 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.44 1.496 . . . . 0.0 110.335 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.69 119.36 25.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.4 1.08 . . . . 0.0 109.592 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.1 pt -121.34 158.15 54.12 Favored Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 127.692 2.397 . . . . 0.0 110.554 -173.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.22 147.66 73.03 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 120.863 1.042 . . . . 0.0 111.819 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -48.94 -30.99 6.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.988 1.715 . . . . 0.0 114.644 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.6 m -58.23 -27.59 64.08 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.07 1.348 . . . . 0.0 112.844 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 6.2 t -97.73 -30.72 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.308 -0.854 . . . . 0.0 111.933 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -26.22 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 120.19 1.359 . . . . 0.0 112.594 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.59 -15.91 69.78 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 124.49 1.043 . . . . 0.0 114.979 170.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 31.1 t -90.0 -38.22 13.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.491 1.516 . . . . 0.0 112.303 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 7.7 mt -59.27 144.43 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.381 1.472 . . . . 0.0 110.055 166.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -170.17 176.82 4.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.337 1.455 . . . . 0.0 112.234 -173.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.24 -27.54 69.12 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.222 1.009 . . . . 0.0 112.719 169.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 88.1 p -80.1 -20.04 45.99 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.204 1.001 . . . . 0.0 113.005 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 10.5 t -85.36 -179.64 7.0 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.549 1.539 . . . . 0.0 111.328 170.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -149.79 99.96 2.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.819 1.247 . . . . 0.0 110.144 168.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -88.36 128.8 35.51 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.9 163.48 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.974 0.91 . . . . 0.0 111.934 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 60.0 m -49.26 -45.24 44.53 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -20.6 66.57 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.774 1.17 . . . . 0.0 112.954 -175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -12.37 42.74 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.016 1.726 . . . . 0.0 113.28 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.92 133.27 43.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.845 1.258 . . . . 0.0 112.485 -173.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 5.7 m -58.1 -38.75 77.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 113.279 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -87.83 96.16 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.297 1.046 . . . . 0.0 110.987 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.51 -16.61 38.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.393 1.877 . . . . 0.0 113.865 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -67.98 -23.7 65.06 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.393 1.877 . . . . 0.0 113.407 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.84 14.7 4.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.339 1.456 . . . . 0.0 113.14 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.47 38.44 0.9 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.489 1.916 . . . . 0.0 114.251 -167.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.34 147.6 33.67 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.42 1.488 . . . . 0.0 110.415 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.5 -18.28 27.81 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 124.46 1.104 . . . . 0.0 112.349 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 23.8 m -88.75 -22.03 23.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.934 1.694 . . . . 0.0 112.971 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -77.65 173.15 12.36 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.618 1.199 . . . . 0.0 113.421 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 95.6 p -83.25 -169.5 2.57 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.227 2.611 . . . . 0.0 112.813 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -147.44 170.09 18.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.422 1.889 . . . . 0.0 111.191 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -33.84 64.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.416 1.086 . . . . 0.0 113.668 -176.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.6 mtt -152.6 135.86 15.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.246 1.419 . . . . 0.0 111.174 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.7 m -61.31 155.12 22.02 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.256 0.934 . . . . 0.0 110.677 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.82 -36.75 72.68 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.857 0.463 . . . . 0.0 112.126 -161.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.34 -12.6 59.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.876 1.671 . . . . 0.0 114.485 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -90.73 -39.76 12.24 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.477 1.111 . . . . 0.0 111.888 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.254 1.9 tp -69.19 -55.14 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.19 0.904 . . . . 0.0 111.779 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -55.6 -28.13 53.37 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.036 -1.665 . . . . 0.0 114.041 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -63.6 -34.27 77.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.065 1.746 . . . . 0.0 114.422 169.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.98 -37.33 85.68 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.306 1.443 . . . . 0.0 112.286 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.14 -28.55 54.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.508 1.123 . . . . 0.0 112.77 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.14 35.31 7.65 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.913 1.72 . . . . 0.0 114.555 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt -143.19 177.44 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 127.288 2.235 . . . . 0.0 111.295 -169.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -95.65 -147.06 22.04 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.23 0.919 . . . . 0.0 110.945 162.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -154.42 168.66 25.91 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.81 2.044 . . . . 0.0 110.061 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -67.79 -32.4 72.94 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -68.53 -37.8 80.31 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.808 0.843 . . . . 0.0 112.695 174.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -71.7 -46.75 57.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.865 1.266 . . . . 0.0 112.614 175.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 26.1 t0 55.83 15.84 1.82 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.136 1.775 . . . . 0.0 114.074 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.717 2.007 . . . . 0.0 112.44 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 46.9 30.31 1.2 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.342 2.257 . . . . 0.0 115.381 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.4 t -96.83 -167.71 1.6 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 119.299 -2.126 . . . . 0.0 112.437 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.565 HCM2 ' CD2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -88.03 -47.41 8.54 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -162.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.418 ' HG1' ' HE1' ' A' ' 865' ' ' TRP . 9.5 m 60.59 -52.33 0.09 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 128.778 2.831 . . . . 0.0 117.253 -178.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.16 -61.93 0.06 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.366 2.667 . . . . 0.0 114.922 -167.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 48.35 62.92 2.29 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.419 1.888 . . . . 0.0 111.257 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 t80 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 125.631 1.572 . . . . 0.0 112.617 177.93 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 112.181 -0.368 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 59.9 p -154.5 -176.89 6.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.224 1.41 . . . . 0.0 111.772 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -70.94 -8.08 50.58 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.178 1.391 . . . . 0.0 114.572 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 171.47 16.3 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.469 1.507 . . . . 0.0 113.159 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 74.35 149.89 0.11 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.591 2.757 . . . . 0.0 117.356 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 77.9 p -162.8 179.79 7.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 128.896 2.878 . . . . 0.0 110.274 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.93 162.13 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.059 0.944 . . . . 0.0 113.367 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -161.53 -133.67 1.52 Allowed Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.51 1.528 . . . . 0.0 111.786 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 34.8 m -146.24 146.03 30.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.466 1.507 . . . . 0.0 112.703 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -120.1 8.7 11.0 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 123.435 1.588 . . . . 0.0 114.744 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.15 -25.19 3.87 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 128.289 2.635 . . . . 0.0 114.601 -164.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 2.9 p -57.15 173.31 0.24 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.558 2.743 . . . . 0.0 114.771 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.01 173.65 0.6 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.63 1.572 . . . . 0.0 112.754 172.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 p -48.4 135.26 14.16 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.775 1.23 . . . . 0.0 112.174 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.633 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -140.92 -175.55 4.35 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.316 0.646 . . . . 0.0 112.002 -162.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -97.72 174.7 6.48 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.94 148.66 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.958 2.103 . . . . 0.0 109.671 168.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 867' ' ' ARG . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 22.8 ttt85 -105.26 127.51 52.98 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.252 1.421 . . . . 0.0 110.363 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -62.32 128.15 34.69 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.947 0.899 . . . . 0.0 112.496 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.91 -18.97 62.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -92.67 -20.28 20.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.74 1.216 . . . . 0.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 64.3 m -119.31 -105.64 0.39 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.961 1.705 . . . . 0.0 110.879 174.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.1 p90 168.03 -15.58 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 1 C-N-CA 133.665 4.786 . . . . 0.0 109.024 -171.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.45 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -34.62 136.03 0.16 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.889 2.876 . . . . 0.0 112.134 167.683 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.435 ' CZ3' ' HE2' ' B' ' 4' ' ' MLZ . 89.1 m95 -95.75 148.2 22.82 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.709 0.803 . . . . 0.0 111.692 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -146.41 129.05 16.12 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.796 0.838 . . . . 0.0 112.352 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 120.62 18.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.219 2.207 . . . . 0.0 109.335 168.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.6 157.87 76.34 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.355 2.262 . . . . 0.0 111.311 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -72.12 146.79 47.13 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 121.789 1.659 . . . . 0.0 112.341 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.487 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -56.41 -21.78 27.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 72.0 p -58.61 -24.91 62.0 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.183 -0.948 . . . . 0.0 112.799 170.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.4 t -96.92 -35.31 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.487 1.515 . . . . 0.0 111.769 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 882' ' ' VAL . . . . . 0.633 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.3 m -61.66 -29.08 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.203 -0.935 . . . . 0.0 112.478 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -79.99 -15.34 79.18 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.217 1.389 . . . . 0.0 114.537 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 17.9 t -94.54 -34.83 12.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.375 1.47 . . . . 0.0 112.708 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.52 129.33 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 110.568 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -131.2 174.67 9.8 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.487 2.315 . . . . 0.0 111.892 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -59.7 -29.31 68.02 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.482 -1.387 . . . . 0.0 112.919 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 80.2 p -79.0 -10.41 59.82 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.546 1.538 . . . . 0.0 114.275 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 68.1 m -76.49 167.41 21.89 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.679 1.191 . . . . 0.0 112.832 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -131.39 62.12 1.63 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.97 1.708 . . . . 0.0 111.379 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -74.91 130.55 39.6 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 110.392 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.0 pt -139.25 162.78 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.509 0.724 . . . . 0.0 112.776 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.45 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 18.5 m -49.13 -44.36 42.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.77 0.828 . . . . 0.0 112.829 174.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 67.6 mtm -66.57 -11.44 53.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.914 1.233 . . . . 0.0 114.115 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -9.37 23.31 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.022 1.729 . . . . 0.0 113.37 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.78 136.49 33.59 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.944 1.698 . . . . 0.0 113.204 -173.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 21.6 m -54.76 -44.97 74.11 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.21 1.404 . . . . 0.0 113.941 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -92.13 104.94 17.27 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.257 1.027 . . . . 0.0 112.289 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.13 -14.67 39.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.921 2.088 . . . . 0.0 114.082 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -63.98 -27.12 68.91 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.233 1.413 . . . . 0.0 112.624 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -135.88 18.93 3.25 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.465 1.106 . . . . 0.0 113.464 -171.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -93.81 42.96 1.1 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.494 1.917 . . . . 0.0 114.775 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -144.09 149.27 36.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.69 1.196 . . . . 0.0 110.121 164.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.69 -10.68 9.13 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.204 1.001 . . . . 0.0 112.549 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 41.1 m -91.97 -21.21 20.66 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.374 1.47 . . . . 0.0 113.154 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -77.25 171.7 14.43 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.254 1.022 . . . . 0.0 113.319 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 11.6 t -94.79 -154.11 0.41 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.039 1.735 . . . . 0.0 111.324 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.99 164.22 35.23 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.123 2.169 . . . . 0.0 111.076 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -66.4 -25.47 66.78 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -147.41 131.48 17.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.698 1.199 . . . . 0.0 110.695 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.2 m -62.79 160.12 15.1 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.975 0.807 . . . . 0.0 111.36 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -56.56 -36.17 68.98 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.325 -0.859 . . . . 0.0 112.565 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -80.1 1.11 29.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.315 1.846 . . . . 0.0 114.595 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -112.92 -38.75 4.43 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.002 2.121 . . . . 0.0 111.629 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.478 HG13 ' HZ ' ' B' ' 4' ' ' MLZ . 1.6 tp -67.86 -53.91 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.721 0.691 . . . . 0.0 111.151 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -52.45 -29.45 24.64 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 120.59 -1.319 . . . . 0.0 114.009 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -64.64 -32.65 74.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.287 2.235 . . . . 0.0 114.504 171.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -64.91 -42.34 94.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.981 1.313 . . . . 0.0 111.826 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.8 mp -82.78 -32.33 27.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.686 0.795 . . . . 0.0 112.111 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.47 44.95 4.48 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.383 1.468 . . . . 0.0 112.843 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt -125.77 166.85 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.974 1.71 . . . . 0.0 112.814 -171.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -124.05 92.89 0.45 Allowed Glycine 0 CA--C 1.529 0.952 0 C-N-CA 126.038 1.78 . . . . 0.0 111.041 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -69.47 159.47 33.21 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.045 0.938 . . . . 0.0 113.455 -174.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -63.78 -29.07 70.31 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.387 1.075 . . . . 0.0 112.684 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -67.91 -41.79 82.13 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.293 1.837 . . . . 0.0 112.938 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -75.03 -44.24 49.0 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.114 1.366 . . . . 0.0 113.024 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . 0.299 1.7 p30 56.11 3.01 0.09 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.874 2.87 . . . . 0.0 116.348 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.306 0 C-N-CA 126.343 1.857 . . . . 0.0 113.487 174.953 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 155.6 4.57 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.88 1.272 . . . . 0.0 113.362 -175.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t -156.63 -165.0 1.77 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.478 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -122.94 94.09 4.16 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.79 1.236 . . . . 0.0 111.917 -170.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.21 133.11 55.6 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.304 1.042 . . . . 0.0 111.641 174.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.39 24.34 0.8 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.49 1.116 . . . . 0.0 113.32 -174.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 -78.81 71.32 5.26 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.668 1.587 . . . . 0.0 112.109 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.302 1.441 . . . . 0.0 113.704 175.493 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.508 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 82.6 p -149.38 -179.93 7.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.079 0.952 . . . . 0.0 113.444 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? 59.07 31.36 21.25 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 126.783 2.033 . . . . 0.0 112.884 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -85.7 161.97 18.97 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.315 2.246 . . . . 0.0 113.359 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 59.2 169.53 0.07 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 128.007 2.523 . . . . 0.0 116.182 171.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 31.4 p -79.49 156.67 27.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.619 1.168 . . . . 0.0 113.256 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . 0.271 19.3 m 53.06 167.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 C-N-CA 130.003 3.321 . . . . 0.0 116.453 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 169.77 126.82 0.88 Allowed Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.467 1.508 . . . . 0.0 111.246 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 9.9 t -156.39 177.46 11.43 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.508 1.523 . . . . 0.0 111.765 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -72.43 169.35 16.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.262 1.025 . . . . 0.0 111.765 167.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -153.74 122.81 6.47 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.886 2.075 . . . . 0.0 106.641 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 1.4 p -65.55 148.26 52.03 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.315 -2.22 . . . . 0.0 111.791 160.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 58.69 157.94 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.266 1.826 . . . . 0.0 114.531 -167.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 89.8 p -49.74 135.46 19.08 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.546 1.139 . . . . 0.0 113.344 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -137.74 173.62 11.45 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.667 1.187 . . . . 0.0 110.675 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -88.49 175.5 7.56 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.672 -1.267 . . . . 0.0 112.821 169.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -149.39 144.65 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.669 1.987 . . . . 0.0 110.539 165.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.61 142.78 28.85 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.731 1.212 . . . . 0.0 111.726 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.5 122.33 21.12 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.967 0.413 . . . . 0.0 110.021 158.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.51 -21.98 64.55 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -84.36 -44.42 13.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.899 0.88 . . . . 0.0 110.539 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 65.8 m -86.8 -112.26 0.05 Allowed 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 125.345 1.458 . . . . 0.0 110.796 169.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 15.3 p90 172.9 -12.19 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.035 1 C-N-CA 132.488 4.315 . . . . 0.0 110.485 -174.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.448 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 10.7 ttpt -40.57 150.77 0.06 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.301 2.641 . . . . 0.0 113.582 165.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -110.99 152.93 26.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 112.695 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -141.07 138.05 33.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.77 1.628 . . . . 0.0 110.44 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -79.24 128.66 33.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.81 1.244 . . . . 0.0 110.26 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 40.0 pt -134.35 160.26 69.16 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.729 2.011 . . . . 0.0 112.05 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -69.51 149.43 68.45 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 121.617 1.545 . . . . 0.0 111.824 165.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -52.45 -27.23 15.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.211 1.404 . . . . 0.0 114.517 173.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.7 m -60.27 -27.33 67.17 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.933 1.293 . . . . 0.0 112.477 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.26 -38.51 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.478 1.111 . . . . 0.0 110.904 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -22.03 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.109 0.868 . . . . 0.0 112.833 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.29 -19.36 64.72 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.822 1.201 . . . . 0.0 114.25 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.3 t -88.24 -42.56 12.19 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.994 1.317 . . . . 0.0 112.14 175.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.19 136.77 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.442 1.497 . . . . 0.0 110.941 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -149.49 -179.72 7.3 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.196 1.799 . . . . 0.0 111.205 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.65 -9.28 41.88 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.471 -1.393 . . . . 0.0 113.632 170.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 90.8 p -86.53 -12.84 47.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.12 0.968 . . . . 0.0 113.383 167.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 14.9 m -88.17 170.6 10.9 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.323 1.849 . . . . 0.0 112.685 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.82 77.99 1.74 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.292 1.437 . . . . 0.0 110.369 171.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -84.72 132.48 34.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.274 0.629 . . . . 0.0 110.222 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -143.78 166.62 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.78 0.832 . . . . 0.0 112.479 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.448 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 34.4 m -48.32 -42.46 31.27 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.246 -0.909 . . . . 0.0 113.377 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.29 -24.13 66.19 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.646 1.112 . . . . 0.0 113.227 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 4.11 45.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -57.76 142.8 44.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.406 1.482 . . . . 0.0 112.73 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 70.8 m -57.85 -45.67 85.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.513 1.525 . . . . 0.0 113.94 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.42 106.41 18.48 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.818 1.247 . . . . 0.0 111.846 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.91 -23.06 60.81 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.404 1.482 . . . . 0.0 113.419 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -65.79 -22.19 66.55 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.99 1.716 . . . . 0.0 114.184 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -129.63 10.85 5.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.686 1.595 . . . . 0.0 114.026 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.22 41.37 1.03 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.361 1.864 . . . . 0.0 114.346 -170.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -142.7 146.78 34.72 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.056 1.342 . . . . 0.0 110.975 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.33 -21.51 59.88 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.55 0.74 . . . . 0.0 111.961 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.1 m -86.38 -18.37 32.0 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.475 1.51 . . . . 0.0 113.929 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 906' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 5.0 mmpt? -76.67 174.7 10.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.683 1.193 . . . . 0.0 113.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.0 t -90.93 -158.76 0.57 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.214 1.406 . . . . 0.0 112.356 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -150.99 168.52 24.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.889 2.476 . . . . 0.0 110.365 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.9 -36.88 85.79 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.036 -1.04 . . . . 0.0 112.718 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 23.6 mmt -150.03 129.84 13.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.792 1.637 . . . . 0.0 110.421 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.7 p -60.9 160.46 9.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.214 1.006 . . . . 0.0 112.628 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -61.59 -23.42 66.0 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -165.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -87.19 -5.43 58.98 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.661 1.985 . . . . 0.0 114.126 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -113.23 -33.0 6.11 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.59 1.956 . . . . 0.0 113.149 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.476 HG13 ' HZ ' ' B' ' 4' ' ' MLZ . 1.3 tp -64.03 -57.09 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.653 1.115 . . . . 0.0 110.711 168.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -52.85 -29.2 26.64 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -66.09 -32.98 74.77 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.307 1.843 . . . . 0.0 114.44 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.75 -34.28 77.81 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.26 1.024 . . . . 0.0 112.274 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.1 mp -86.48 -37.86 17.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.761 0.824 . . . . 0.0 112.321 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.58 44.27 4.96 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.682 1.611 . . . . 0.0 112.878 -175.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 40.5 pt -120.1 163.41 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.454 1.501 . . . . 0.0 113.549 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -107.23 58.32 0.42 Allowed Glycine 0 CA--C 1.532 1.141 0 C-N-CA 126.155 1.836 . . . . 0.0 114.098 -170.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 166.76 14.36 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 122.005 0.907 . . . . 0.0 112.916 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -73.21 -23.04 60.33 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.167 1.387 . . . . 0.0 113.37 171.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 66.28 -53.93 0.41 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 129.603 3.161 . . . . 0.0 114.46 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -151.9 -83.14 0.09 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.061 1.344 . . . . 0.0 111.013 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 32.1 t0 48.64 31.86 3.21 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.268 1.427 . . . . 0.0 113.587 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.317 0 C-N-CA 125.472 1.509 . . . . 0.0 113.255 178.345 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -63.25 169.62 3.45 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 112.033 163.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -155.67 -156.84 0.68 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.578 0.751 . . . . 0.0 111.192 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.476 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.83 115.05 13.22 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.215 1.406 . . . . 0.0 110.781 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -70.78 128.89 37.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.744 1.218 . . . . 0.0 112.1 175.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.54 16.67 13.12 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.605 1.562 . . . . 0.0 113.404 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -150.01 118.2 6.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.042 2.137 . . . . 0.0 108.808 -172.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 . . . . . 0 C--O 1.251 1.162 0 C-N-CA 127.412 2.285 . . . . 0.0 112.552 -175.353 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 851' ' ' SER . . . . . 0.422 ' CB ' HH21 ' A' ' 867' ' ' ARG . 44.9 t 64.3 162.55 0.12 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.668 1.987 . . . . 0.0 113.858 -168.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -85.77 19.73 2.4 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.936 1.695 . . . . 0.0 113.589 -170.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -57.86 145.88 33.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.954 1.702 . . . . 0.0 112.717 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -149.53 164.46 35.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.295 1.838 . . . . 0.0 111.147 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 72.7 p 47.74 -145.8 0.28 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.629 1.972 . . . . 0.0 113.94 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.2 m -142.62 161.81 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.152 1.781 . . . . 0.0 111.942 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -121.99 -141.64 6.1 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.571 1.558 . . . . 0.0 111.441 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 96.0 p -160.06 168.16 26.2 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.13 1.772 . . . . 0.0 112.077 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -142.95 125.9 16.22 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.813 1.245 . . . . 0.0 111.029 169.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -147.27 -57.04 0.25 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.876 1.67 . . . . 0.0 112.107 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 5.3 p -155.68 160.55 40.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.889 1.276 . . . . 0.0 114.12 -164.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 64.17 156.08 0.07 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.031 2.532 . . . . 0.0 116.357 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 m -54.77 132.4 45.91 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.191 1.396 . . . . 0.0 111.364 167.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.624 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -134.93 -177.09 4.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.6 0.76 . . . . 0.0 111.225 -158.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -91.71 173.06 8.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.998 -1.064 . . . . 0.0 113.258 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.16 144.45 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.31 1.844 . . . . 0.0 109.23 166.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 867' ' ' ARG . . . . . 0.422 HH21 ' CB ' ' A' ' 851' ' ' SER . 5.0 ttp-105 -86.61 147.08 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.98 119.01 14.48 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.488 0.661 . . . . 0.0 110.447 159.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -68.53 -4.59 15.69 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.606 1.562 . . . . 0.0 114.93 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -106.97 -29.68 9.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.941 0.897 . . . . 0.0 112.634 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.81 -114.54 0.18 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 126.051 1.74 . . . . 0.0 110.3 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -179.74 -12.37 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.116 1 C-N-CA 131.973 4.109 . . . . 0.0 110.557 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.407 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 8.9 ttpt -39.15 147.64 0.06 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.197 2.199 . . . . 0.0 113.687 166.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.457 ' CZ3' ' HE2' ' B' ' 4' ' ' MLZ . 68.0 m95 -111.07 150.4 29.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.261 1.024 . . . . 0.0 112.485 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -143.68 136.1 27.01 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.736 1.614 . . . . 0.0 110.098 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -76.43 131.47 39.1 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.839 0.856 . . . . 0.0 109.751 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 31.1 pt -135.85 157.84 75.21 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 126.435 1.894 . . . . 0.0 111.151 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.53 146.01 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.637 1.558 . . . . 0.0 112.266 171.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.465 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -56.35 -19.96 16.97 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.307 1.443 . . . . 0.0 114.495 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -58.93 -27.22 65.09 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.903 -1.123 . . . . 0.0 112.707 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.09 -32.7 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.464 1.506 . . . . 0.0 111.998 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 882' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.7 m -62.65 -29.73 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.182 -0.949 . . . . 0.0 112.356 -177.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.92 -15.77 74.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.217 1.389 . . . . 0.0 114.429 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 26.9 t -90.56 -33.33 15.94 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.43 1.492 . . . . 0.0 112.757 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -77.45 112.55 15.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 122.151 0.977 . . . . 0.0 110.759 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -84.83 168.41 15.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.978 2.111 . . . . 0.0 114.043 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -65.32 -33.51 76.14 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.476 -1.39 . . . . 0.0 112.986 174.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 81.2 p -93.36 12.32 25.2 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.655 1.982 . . . . 0.0 113.438 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 8.2 t -70.29 178.47 2.84 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.605 1.162 . . . . 0.0 113.592 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -139.95 50.33 1.74 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.754 2.021 . . . . 0.0 111.648 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -71.02 126.77 30.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 170.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.7 pt -141.33 164.45 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.673 0.789 . . . . 0.0 112.489 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.407 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 20.5 m -46.55 -44.83 18.25 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.972 0.909 . . . . 0.0 113.159 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -57.24 -32.01 66.12 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.893 1.224 . . . . 0.0 113.036 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -10.88 52.87 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.572 1.549 . . . . 0.0 113.69 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -53.11 139.51 28.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.474 1.51 . . . . 0.0 113.483 -172.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 75.5 m -52.6 -46.22 66.89 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.618 1.567 . . . . 0.0 114.38 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.21 105.61 17.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.776 1.23 . . . . 0.0 111.774 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.31 -23.35 56.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.67 1.588 . . . . 0.0 113.574 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.92 -23.8 66.7 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.718 1.607 . . . . 0.0 113.899 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -125.76 8.81 7.57 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.628 1.571 . . . . 0.0 113.978 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.07 45.03 1.25 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.249 1.819 . . . . 0.0 114.561 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.65 151.31 37.04 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.848 0.832 . . . . 0.0 111.772 162.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.0 -11.4 5.69 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.924 1.29 . . . . 0.0 112.446 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 39.9 m -93.53 -18.24 22.47 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.196 1.398 . . . . 0.0 113.104 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -78.02 179.29 6.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.379 1.072 . . . . 0.0 113.78 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -95.27 -157.51 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.578 1.551 . . . . 0.0 112.587 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -145.87 166.74 25.07 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.819 2.448 . . . . 0.0 110.973 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.57 -31.41 72.1 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.842 -1.161 . . . . 0.0 113.322 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.7 mtt -153.53 130.02 10.65 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.864 1.666 . . . . 0.0 110.023 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.5 m -63.19 161.55 13.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.162 0.585 . . . . 0.0 111.012 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -62.39 -30.32 71.12 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.781 -1.199 . . . . 0.0 112.649 -174.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -71.49 -10.17 59.35 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.561 1.544 . . . . 0.0 113.73 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -102.59 -48.94 3.98 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.365 172.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.559 HG13 ' HZ ' ' B' ' 4' ' ' MLZ . 0.9 OUTLIER -79.79 11.14 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 123.565 1.65 . . . . 0.0 115.1 178.477 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -101.43 -37.3 8.5 Favored 'General case' 0 C--N 1.311 -1.065 0 O-C-N 120.226 -1.546 . . . . 0.0 112.068 158.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.36 -31.33 70.65 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.622 1.569 . . . . 0.0 113.73 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -62.68 -29.78 70.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.537 0.608 . . . . 0.0 112.575 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.3 mp -98.85 -30.12 12.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.387 1.075 . . . . 0.0 112.73 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 96.68 37.6 4.69 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.123 1.344 . . . . 0.0 113.286 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.8 pt -120.5 171.66 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.635 1.974 . . . . 0.0 111.704 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -102.42 -40.18 2.63 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 115.581 0.992 . . . . 0.0 115.581 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 55.78 -160.98 0.18 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.486 1.514 . . . . 0.0 113.427 -168.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.71 -33.02 73.28 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.915 -1.116 . . . . 0.0 113.677 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -67.26 -27.59 67.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.979 0.912 . . . . 0.0 113.28 173.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . 67.63 -45.05 0.48 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 131.063 3.745 . . . . 0.0 116.007 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -77.41 36.29 0.19 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 126.823 2.049 . . . . 0.0 113.923 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.81 2.444 . . . . 0.0 113.349 -176.029 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.42 109.37 1.34 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.285 0.948 . . . . 0.0 110.202 174.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.6 t -155.94 -161.35 1.13 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.91 1.284 . . . . 0.0 112.283 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.559 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.78 95.61 3.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.351 1.06 . . . . 0.0 113.603 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -65.4 130.43 43.3 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.772 1.229 . . . . 0.0 112.143 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.4 39.75 0.41 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.663 1.585 . . . . 0.0 112.747 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.51 116.19 4.15 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 127.394 2.278 . . . . 0.0 108.776 -172.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.628 1.571 . . . . 0.0 111.92 179.531 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.99 -0.444 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 21.5 t -153.56 169.27 23.64 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.169 1.388 . . . . 0.0 111.833 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -93.45 -18.42 22.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.775 1.63 . . . . 0.0 113.391 166.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -96.54 166.65 11.58 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.242 1.417 . . . . 0.0 112.122 172.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -71.04 171.88 10.09 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.568 1.147 . . . . 0.0 113.426 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 74.5 p -144.55 159.01 43.49 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.718 1.207 . . . . 0.0 113.19 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.91 165.59 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 127.051 2.14 . . . . 0.0 111.476 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -118.1 30.89 5.88 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 125.622 1.582 . . . . 0.0 114.061 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 24.8 m -70.48 151.86 44.65 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.364 1.866 . . . . 0.0 113.462 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -67.24 160.3 27.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.9 1.68 . . . . 0.0 112.045 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -65.65 -49.61 68.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.158 0.983 . . . . 0.0 112.763 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 36.7 m 62.07 178.27 0.13 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.919 1.687 . . . . 0.0 113.831 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -63.71 168.4 4.93 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.184 -1.573 . . . . 0.0 113.053 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 49.4 m -38.96 133.64 1.11 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.986 2.514 . . . . 0.0 114.972 -166.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.693 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -142.15 -176.47 4.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.681 -153.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 865' ' ' TRP . . . . . 0.46 ' CZ2' HD13 ' A' ' 915' ' ' ILE . 73.2 m95 -95.16 177.16 5.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.312 -0.868 . . . . 0.0 111.801 169.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -146.44 140.98 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.959 1.704 . . . . 0.0 110.14 165.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -89.7 145.64 25.07 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.462 1.105 . . . . 0.0 110.077 171.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.8 125.81 26.51 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.379 0.609 . . . . 0.0 110.916 162.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -75.99 -2.6 31.34 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.859 1.663 . . . . 0.0 113.802 170.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -112.38 -29.73 7.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.145 0.978 . . . . 0.0 112.407 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 14.0 p -118.2 -112.55 0.34 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.868 1.267 . . . . 0.0 111.366 160.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -170.43 -4.06 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.297 2.239 . . . . 0.0 115.839 -169.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.586 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.4 tmmm? -53.17 149.29 7.15 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.848 1.659 . . . . 0.0 111.843 170.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.587 ' CE2' HCM3 ' B' ' 4' ' ' MLZ . 83.9 m95 -111.52 151.4 28.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.18 0.992 . . . . 0.0 112.786 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -143.78 137.02 27.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.638 1.575 . . . . 0.0 110.075 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 129.85 34.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.188 0.995 . . . . 0.0 110.532 172.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -135.65 154.85 78.43 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 126.689 1.995 . . . . 0.0 111.719 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.05 148.55 45.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.297 1.998 . . . . 0.0 112.746 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.441 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -50.95 -25.66 4.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.408 1.483 . . . . 0.0 114.955 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.2 m -56.61 -27.11 57.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.758 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.96 -34.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.083 1.353 . . . . 0.0 112.138 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 882' ' ' VAL . . . . . 0.693 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.1 m -60.28 -29.09 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.207 -0.933 . . . . 0.0 112.612 -177.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -76.07 -19.31 78.74 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.373 1.463 . . . . 0.0 114.671 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.2 t -90.01 -39.76 12.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.834 1.253 . . . . 0.0 111.975 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.16 143.93 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 125.479 1.511 . . . . 0.0 110.661 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -160.58 179.25 8.74 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.125 1.77 . . . . 0.0 110.788 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -62.97 -22.08 66.57 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.926 -1.109 . . . . 0.0 113.311 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 89.4 p -83.5 -12.91 55.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.385 1.074 . . . . 0.0 113.576 173.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 11.1 t -80.71 172.29 13.94 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.899 1.28 . . . . 0.0 112.431 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -134.26 61.58 1.67 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.509 1.924 . . . . 0.0 110.154 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -74.06 129.04 37.08 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.319 0.648 . . . . 0.0 109.725 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.32 162.37 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.312 0.645 . . . . 0.0 112.341 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.586 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 63.5 m -49.27 -43.75 43.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.72 174.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 43.0 tpp -65.9 -20.74 66.33 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.915 1.234 . . . . 0.0 113.077 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -12.71 43.62 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.724 1.61 . . . . 0.0 113.411 174.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -54.75 138.42 42.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.762 1.225 . . . . 0.0 113.096 -172.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 57.9 m -53.98 -44.49 70.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.282 1.433 . . . . 0.0 114.228 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.61 103.95 16.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.488 1.115 . . . . 0.0 111.599 -174.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.28 -23.54 56.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.509 1.524 . . . . 0.0 113.374 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -66.24 -24.52 66.6 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.001 1.721 . . . . 0.0 113.974 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -123.73 4.2 8.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.448 1.499 . . . . 0.0 114.547 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.03 43.18 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.868 2.467 . . . . 0.0 114.756 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -145.43 154.69 42.53 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.491 0.716 . . . . 0.0 111.836 163.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.05 -19.41 31.47 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.965 1.306 . . . . 0.0 111.703 165.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.1 m -93.38 -16.19 24.89 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.619 1.168 . . . . 0.0 113.547 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.05 168.91 19.14 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.063 0.945 . . . . 0.0 112.71 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -82.49 -165.07 0.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.192 1.397 . . . . 0.0 112.778 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.02 168.18 26.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.889 2.475 . . . . 0.0 110.864 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -67.3 -33.82 76.09 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.163 -0.961 . . . . 0.0 112.74 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -151.26 129.85 12.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.375 1.47 . . . . 0.0 110.842 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.4 m -65.84 161.95 19.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.872 0.869 . . . . 0.0 111.833 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.0 -17.01 61.73 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.36 -3.26 44.06 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 126.301 1.84 . . . . 0.0 114.057 173.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -114.44 -33.27 5.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.614 1.966 . . . . 0.0 113.493 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.46 HD13 ' CZ2' ' A' ' 865' ' ' TRP . 1.3 tp -64.37 -56.18 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.037 1.29 . . . . 0.0 110.774 171.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -51.23 -31.79 21.87 Favored 'General case' 0 CA--C 1.551 1.0 0 O-C-N 120.836 -1.165 . . . . 0.0 113.696 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.52 -32.49 74.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.928 1.691 . . . . 0.0 114.353 171.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.88 -39.97 94.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.295 1.038 . . . . 0.0 111.435 174.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 919' ' ' LEU . . . . . 0.412 HD13 ' HZ ' ' B' ' 4' ' ' MLZ . 1.2 mp -76.92 -23.25 52.49 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.023 0.929 . . . . 0.0 112.713 171.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.95 34.48 8.88 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 126.08 1.8 . . . . 0.0 114.339 175.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.6 pt -139.79 171.12 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 126.075 1.75 . . . . 0.0 112.705 -166.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -82.06 -45.18 7.23 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.506 1.051 . . . . 0.0 113.709 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 63.8 -77.42 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 117.132 2.271 . . . . 0.0 117.132 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -160.85 -47.52 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.034 -1.894 . . . . 0.0 112.574 -146.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 62.1 -50.9 0.15 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 128.62 2.768 . . . . 0.0 115.788 -175.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -154.74 -49.19 0.09 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.181 1.792 . . . . 0.0 113.029 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 24.7 t0 54.97 12.51 0.62 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.21 1.804 . . . . 0.0 115.112 -169.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.006 1.723 . . . . 0.0 113.336 176.42 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.407 ' HG3' ' H ' ' B' ' 3' ' ' THR . 1.2 ptm180 -63.57 -50.47 69.34 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 176.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.407 ' H ' ' HG3' ' B' ' 2' ' ' ARG . 6.2 t 43.32 -163.27 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 129.283 3.033 . . . . 0.0 115.979 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.587 HCM3 ' CE2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.87 122.6 15.28 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.338 1.055 . . . . 0.0 113.388 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -66.44 128.1 34.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.67 -14.49 51.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.428 1.091 . . . . 0.0 113.937 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -82.11 54.25 2.46 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.976 1.71 . . . . 0.0 112.227 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 47.6 t80 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.822 1.649 . . . . 0.0 112.541 -168.259 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 93.4 p -153.75 164.21 38.71 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.137 1.375 . . . . 0.0 112.002 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 51.1 tpt85 61.93 -12.71 0.06 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 128.411 2.684 . . . . 0.0 117.104 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -62.9 -33.99 76.47 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.869 1.213 . . . . 0.0 113.137 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 58.75 -179.55 0.07 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.441 1.896 . . . . 0.0 113.178 -167.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 79.9 p -150.45 160.04 44.05 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 14.5 p -158.22 158.19 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.318 2.247 . . . . 0.0 109.16 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -77.79 -123.66 0.27 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.41 1.481 . . . . 0.0 113.543 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 72.1 m -150.94 152.22 33.28 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.68 1.592 . . . . 0.0 112.02 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -160.0 172.71 17.06 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.257 2.223 . . . . 0.0 109.589 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -91.35 -85.98 0.23 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.065 0.848 . . . . 0.0 112.292 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 861' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 862' ' ' GLU . 1.4 m 57.12 -148.9 0.48 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.216 1.006 . . . . 0.0 110.953 -169.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 862' ' ' GLU . . . . . 0.474 ' H ' HG22 ' A' ' 861' ' ' THR . 51.4 mt-10 -99.8 176.09 5.57 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.899 1.68 . . . . 0.0 112.34 175.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 78.5 p -48.46 141.8 6.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.104 1.762 . . . . 0.0 115.461 -166.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.96 -175.93 4.6 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.199 -157.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -113.58 171.4 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.084 0.954 . . . . 0.0 112.145 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.6 p -145.11 142.09 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.664 1.186 . . . . 0.0 110.031 168.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -88.23 141.09 28.83 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.813 1.245 . . . . 0.0 109.8 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.83 114.05 8.51 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.638 0.654 . . . . 0.0 109.544 162.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -64.01 -17.61 63.49 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.59 -16.75 28.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.795 0.838 . . . . 0.0 113.25 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 76.0 m -115.61 -104.75 0.4 Allowed 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 126.427 1.891 . . . . 0.0 110.222 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.4 p90 170.8 -17.41 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.001 1 C-N-CA 132.375 4.27 . . . . 0.0 109.958 -171.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -47.25 153.04 0.52 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.947 2.499 . . . . 0.0 113.19 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.461 ' CE3' ' HE2' ' B' ' 4' ' ' MLZ . 62.7 m95 -113.93 153.74 28.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.675 1.19 . . . . 0.0 112.363 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -144.38 139.96 28.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.541 1.136 . . . . 0.0 111.909 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 122.1 26.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.532 1.933 . . . . 0.0 110.023 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.77 156.54 79.97 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 125.165 1.386 . . . . 0.0 112.757 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -68.42 150.03 75.39 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 121.915 1.743 . . . . 0.0 110.819 162.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -56.87 -23.05 41.64 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 175.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.2 m -58.98 -28.49 66.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.921 1.288 . . . . 0.0 112.266 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.86 -41.45 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.977 0.911 . . . . 0.0 110.835 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 882' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -68.19 -19.72 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -92.26 -18.84 41.02 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.785 1.183 . . . . 0.0 114.436 171.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -84.3 -34.43 23.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.971 1.308 . . . . 0.0 112.304 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -67.95 123.79 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.659 1.584 . . . . 0.0 107.723 167.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -85.78 174.44 9.34 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.69 1.196 . . . . 0.0 112.438 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.66 -42.14 64.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.702 1.201 . . . . 0.0 112.242 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 80.1 p -96.8 -1.99 45.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.881 1.672 . . . . 0.0 114.769 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 65.6 m -68.19 121.61 16.55 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.754 1.161 . . . . 0.0 112.253 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -76.86 75.2 3.47 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.888 1.275 . . . . 0.0 110.617 172.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.15 131.9 44.97 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.4 pt -140.77 163.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.448 1.099 . . . . 0.0 111.599 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 17.8 m -49.9 -45.57 51.0 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.52 -13.09 61.74 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.911 -1.118 . . . . 0.0 113.643 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -12.21 28.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.821 1.649 . . . . 0.0 113.216 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -54.55 134.56 46.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.106 1.362 . . . . 0.0 112.598 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.5 m -56.01 -43.21 77.52 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.491 1.516 . . . . 0.0 113.749 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.01 99.8 11.25 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.323 1.049 . . . . 0.0 111.467 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -60.23 -18.21 47.11 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.147 1.779 . . . . 0.0 113.854 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -68.8 -24.32 64.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.219 1.808 . . . . 0.0 113.873 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -133.25 22.1 4.07 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.76 1.624 . . . . 0.0 112.804 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -96.52 40.53 1.13 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.928 1.691 . . . . 0.0 114.572 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -141.88 146.31 35.63 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.004 1.322 . . . . 0.0 110.986 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.6 m -58.58 -19.6 39.61 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.656 0.782 . . . . 0.0 112.116 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 38.2 m -86.44 -18.77 30.87 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.445 1.498 . . . . 0.0 114.368 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 906' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 6.3 mmpt? -75.69 -178.76 4.34 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.971 1.308 . . . . 0.0 113.516 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.8 t -106.87 -155.4 0.55 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.959 1.703 . . . . 0.0 112.553 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -145.54 167.93 21.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.978 2.111 . . . . 0.0 112.361 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.6 -35.53 74.5 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -151.31 132.86 14.77 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.901 1.681 . . . . 0.0 109.964 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.0 m -60.14 157.64 12.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.289 0.95 . . . . 0.0 111.685 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 912' ' ' ASN . . . . . 0.44 ' ND2' ' HE1' ' A' ' 874' ' ' TRP . 47.3 t-20 -55.02 -38.27 67.72 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.547 0.739 . . . . 0.0 111.691 -171.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.63 -27.62 68.79 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.469 1.508 . . . . 0.0 114.353 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -87.61 -48.63 7.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.445 1.498 . . . . 0.0 111.633 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.1 tp -59.43 -55.5 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.646 0.657 . . . . 0.0 111.798 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -58.52 -23.19 57.56 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.337 -1.477 . . . . 0.0 114.157 -175.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.68 -32.86 71.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.322 1.449 . . . . 0.0 114.055 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.1 -42.05 99.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.705 1.202 . . . . 0.0 112.201 -178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.7 mp -87.29 -27.89 22.62 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.858 0.863 . . . . 0.0 111.908 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 81.99 52.72 3.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.439 1.495 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 47.9 pt -131.93 165.39 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.314 1.446 . . . . 0.0 113.688 -165.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -95.32 44.83 2.1 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 117.312 1.685 . . . . 0.0 117.312 -163.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -59.58 156.5 13.35 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.936 1.868 . . . . 0.0 111.32 162.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -83.84 4.73 27.95 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.936 1.695 . . . . 0.0 114.076 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 66.73 -53.5 0.44 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.383 3.073 . . . . 0.0 114.38 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -75.62 -45.79 35.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.701 1.201 . . . . 0.0 111.586 169.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 8.1 t70 58.26 0.45 0.13 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.791 2.436 . . . . 0.0 116.891 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.63 1.972 . . . . 0.0 112.436 177.625 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.22 115.84 3.48 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.764 0.711 . . . . 0.0 111.394 176.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t -172.14 -161.01 0.16 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.777 1.231 . . . . 0.0 112.813 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.461 ' HE2' ' CE3' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -136.28 102.27 4.93 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -42.16 96.56 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.614 1.566 . . . . 0.0 114.606 -168.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 53.09 26.69 5.09 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.177 1.391 . . . . 0.0 114.023 -172.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -151.78 114.02 4.53 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 128.998 2.919 . . . . 0.0 107.632 -168.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.011 1.324 . . . . 0.0 112.675 -176.838 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 22.8 t -79.98 163.88 23.91 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.743 1.217 . . . . 0.0 113.89 -178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -74.0 -28.97 61.71 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.815 1.646 . . . . 0.0 112.71 168.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -142.73 -19.17 0.67 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 67.73 147.06 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 129.26 3.024 . . . . 0.0 118.943 168.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 82.0 p -160.09 -104.87 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.832 2.453 . . . . 0.0 110.904 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.07 166.74 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 128.631 2.772 . . . . 0.0 112.056 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -73.47 96.22 0.81 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.453 1.501 . . . . 0.0 109.997 170.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 15.1 m -47.1 140.66 4.88 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 127.876 2.47 . . . . 0.0 115.116 -171.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -132.17 161.92 32.17 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.668 1.987 . . . . 0.0 110.845 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -54.05 -49.36 69.16 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.615 1.166 . . . . 0.0 113.549 -169.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 861' ' ' THR . . . . . 0.667 HG22 ' H ' ' A' ' 862' ' ' GLU . 5.8 m 56.0 -159.66 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.814 0.846 . . . . 0.0 111.823 176.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 862' ' ' GLU . . . . . 0.667 ' H ' HG22 ' A' ' 861' ' ' THR . 16.8 tt0 -79.11 174.19 11.81 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 119.898 -1.751 . . . . 0.0 111.105 160.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 51.9 p -55.32 137.73 47.03 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.826 -1.171 . . . . 0.0 111.907 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -144.21 176.91 8.98 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.401 0.681 . . . . 0.0 111.836 -160.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 865' ' ' TRP . . . . . 0.465 ' HE1' HG21 ' B' ' 6' ' ' THR . 68.8 m95 -89.16 175.06 7.53 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.821 -1.174 . . . . 0.0 112.847 173.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.6 p -150.29 144.31 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.138 1.775 . . . . 0.0 110.279 165.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 867' ' ' ARG . . . . . 0.403 ' HB3' HH11 ' A' ' 867' ' ' ARG . 0.0 OUTLIER -86.36 143.97 27.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.828 0.851 . . . . 0.0 111.68 174.406 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.1 124.39 27.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.442 0.697 . . . . 0.0 110.982 161.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.36 -10.61 59.01 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 171.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -86.85 -30.53 21.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.393 0.997 . . . . 0.0 111.886 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 17.8 p -118.11 -101.24 0.43 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.94 1.296 . . . . 0.0 111.296 163.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -171.01 -11.48 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.573 2.349 . . . . 0.0 114.807 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -50.41 158.66 0.57 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.11 2.164 . . . . 0.0 114.358 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -114.05 150.05 34.56 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.438 1.095 . . . . 0.0 112.926 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -142.86 136.68 28.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.05 1.74 . . . . 0.0 110.978 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.93 111.98 19.74 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.439 1.496 . . . . 0.0 109.786 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 30.2 pt -112.88 159.43 34.54 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 127.753 2.421 . . . . 0.0 111.518 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.05 150.34 66.33 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 121.282 1.321 . . . . 0.0 111.973 167.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -46.35 -33.86 4.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.355 1.862 . . . . 0.0 114.735 172.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -58.92 -28.26 66.06 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.064 1.345 . . . . 0.0 112.671 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.29 -37.08 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.375 1.07 . . . . 0.0 111.291 173.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 882' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -66.26 -22.57 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 119.496 1.044 . . . . 0.0 113.046 -178.838 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.81 -18.55 63.28 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.537 1.065 . . . . 0.0 114.545 172.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -85.26 -41.5 15.51 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.771 1.229 . . . . 0.0 111.649 172.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.0 156.41 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 C-N-CA 126.254 1.821 . . . . 0.0 109.384 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -149.09 173.94 12.86 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.146 1.378 . . . . 0.0 111.45 -177.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -48.92 -40.48 30.19 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.287 1.435 . . . . 0.0 111.47 167.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 80.1 p -88.45 -16.57 32.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.956 1.303 . . . . 0.0 114.505 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 21.4 t -74.57 159.24 32.43 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.619 0.768 . . . . 0.0 112.499 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.96 79.66 1.61 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.143 1.777 . . . . 0.0 110.964 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -78.51 141.59 38.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.881 1.272 . . . . 0.0 109.908 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -140.31 161.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.626 1.103 . . . . 0.0 113.546 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 74.4 m -49.39 -44.62 45.16 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.358 1.063 . . . . 0.0 113.622 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.72 -21.95 66.87 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.163 1.347 . . . . 0.0 112.92 -175.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -11.94 46.61 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.767 1.627 . . . . 0.0 113.421 175.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -54.69 138.86 40.74 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.91 1.284 . . . . 0.0 113.218 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -54.54 -43.94 72.41 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.26 1.424 . . . . 0.0 114.164 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.2 105.33 17.57 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.745 1.218 . . . . 0.0 111.564 -174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -58.21 -24.34 58.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.366 1.466 . . . . 0.0 113.39 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.83 -23.31 67.2 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.024 1.73 . . . . 0.0 114.013 172.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -128.19 10.37 6.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.473 1.509 . . . . 0.0 114.161 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -87.58 41.45 0.99 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.884 2.074 . . . . 0.0 114.605 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.09 152.05 37.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.797 0.839 . . . . 0.0 111.351 165.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.52 -15.7 7.84 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.144 0.978 . . . . 0.0 112.226 166.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.4 m -91.31 -18.9 23.6 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.508 1.123 . . . . 0.0 113.214 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -76.22 178.13 6.68 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.201 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.8 t -93.68 -159.72 0.71 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.267 1.427 . . . . 0.0 112.848 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -148.05 167.57 24.6 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.796 2.439 . . . . 0.0 110.892 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.95 -36.36 83.7 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.253 -0.905 . . . . 0.0 113.24 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 56.7 mtt -152.48 133.98 14.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.552 1.541 . . . . 0.0 110.873 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.1 p -62.05 155.89 22.81 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.984 0.897 . . . . 0.0 112.389 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.02 -31.43 71.05 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.3 -160.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -80.27 -11.91 59.67 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.148 1.779 . . . . 0.0 115.025 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -97.32 -38.23 9.74 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.312 1.445 . . . . 0.0 111.735 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -66.9 -55.68 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 118.669 0.668 . . . . 0.0 112.296 170.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -54.72 -27.96 44.58 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.003 -1.686 . . . . 0.0 114.321 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.31 -31.78 72.43 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.338 2.255 . . . . 0.0 114.344 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.78 -45.65 92.98 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.084 0.954 . . . . 0.0 111.885 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 919' ' ' LEU . . . . . 0.539 HD21 ' H ' ' B' ' 6' ' ' THR . 2.6 mp -83.12 -30.47 27.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.809 0.844 . . . . 0.0 112.167 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.73 39.54 6.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.271 1.415 . . . . 0.0 112.735 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.91 174.45 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.095 1.758 . . . . 0.0 112.157 -171.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -142.71 113.67 0.81 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.836 1.684 . . . . 0.0 110.486 -175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -143.86 174.95 10.38 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.472 1.909 . . . . 0.0 112.057 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 67.29 -16.28 0.16 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 128.722 2.809 . . . . 0.0 116.05 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 60.3 -59.52 0.07 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 131.085 3.754 . . . . 0.0 116.018 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -83.07 -51.13 7.82 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.759 1.623 . . . . 0.0 112.456 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 26.4 t0 52.62 18.22 0.95 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 125.821 1.648 . . . . 0.0 114.23 -167.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.041 1.736 . . . . 0.0 113.421 179.656 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 111.366 0.136 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -62.76 161.91 11.73 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 170.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -160.77 -146.73 0.13 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -80.73 -24.68 38.59 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.539 ' H ' HD21 ' A' ' 919' ' ' LEU 0.255 0.0 OUTLIER 57.78 163.77 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 128.782 2.833 . . . . 0.0 116.776 -175.977 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.48 15.87 2.37 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.456 1.502 . . . . 0.0 113.559 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -89.39 -176.44 5.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.719 2.008 . . . . 0.0 110.482 174.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 50.6 p90 . . . . . 0 C--O 1.254 1.295 0 C-N-CA 128.934 2.894 . . . . 0.0 112.824 -178.363 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 850' ' ' GLY . . . . . 0.509 ' N ' ' HG ' ' A' ' 888' ' ' SER . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 41.0 t -156.24 153.92 29.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.686 1.595 . . . . 0.0 110.716 173.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -67.73 -33.8 75.59 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.788 0.835 . . . . 0.0 112.983 171.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -124.77 -64.5 1.1 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.59 1.156 . . . . 0.0 113.09 -165.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -161.02 167.03 27.26 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.038 1.735 . . . . 0.0 111.033 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 41.2 p -67.38 157.94 32.88 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.56 157.25 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 122.066 0.936 . . . . 0.0 113.159 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -81.6 54.76 4.82 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.439 1.495 . . . . 0.0 112.739 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 8.1 t 60.25 -162.05 0.27 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.376 1.47 . . . . 0.0 111.761 -162.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.56 171.81 1.85 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.137 1.775 . . . . 0.0 113.59 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -137.04 96.39 3.29 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 125.814 2.721 . . . . 0.0 109.163 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 2.1 p -75.83 148.48 38.35 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 109.951 -3.295 . . . . 0.0 112.585 166.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 57.11 177.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.148 1.779 . . . . 0.0 114.546 -174.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 62.0 m -59.91 135.3 57.66 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.82 -1.175 . . . . 0.0 111.785 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -130.94 -177.88 4.57 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.721 0.808 . . . . 0.0 112.584 -160.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -98.95 172.33 7.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.421 -0.8 . . . . 0.0 111.169 161.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.69 145.21 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.707 1.603 . . . . 0.0 110.006 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.43 144.56 28.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.504 1.521 . . . . 0.0 111.533 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.0 t -73.1 117.88 15.37 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.032 0.933 . . . . 0.0 111.447 167.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -78.3 6.3 8.58 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 168.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -101.25 -30.62 11.42 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.493 1.042 . . . . 0.0 112.53 167.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.269 14.4 p -126.09 -98.81 0.4 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.397 1.479 . . . . 0.0 112.119 168.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -162.04 -13.04 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.838 2.455 . . . . 0.0 114.991 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -43.12 136.52 2.83 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.982 1.713 . . . . 0.0 113.939 -173.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.498 ' CG ' HCM3 ' B' ' 4' ' ' MLZ . 71.8 m95 -101.75 143.43 31.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.362 1.065 . . . . 0.0 111.658 175.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -142.84 137.21 29.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.905 1.682 . . . . 0.0 110.246 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.3 30.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.65 1.18 . . . . 0.0 109.549 174.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.2 pt -127.34 156.2 75.28 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 127.377 2.271 . . . . 0.0 111.102 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.91 154.92 62.96 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.459 1.439 . . . . 0.0 111.454 167.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -51.75 -26.18 8.99 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.0 m -60.75 -27.18 67.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.986 1.314 . . . . 0.0 112.79 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 91.4 t -91.21 -38.81 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.429 1.092 . . . . 0.0 110.818 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.73 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.981 0.809 . . . . 0.0 112.801 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.47 -17.86 70.11 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.974 1.274 . . . . 0.0 114.197 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.4 t -91.94 -41.22 10.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.2 1.4 . . . . 0.0 112.113 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -77.2 117.14 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.19 1.396 . . . . 0.0 109.486 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -92.52 173.73 7.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.19 1.396 . . . . 0.0 111.972 170.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -50.29 -39.0 44.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.814 1.246 . . . . 0.0 112.154 171.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 888' ' ' SER . . . . . 0.509 ' HG ' ' N ' ' A' ' 850' ' ' GLY . 3.2 t -92.21 -9.96 40.38 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 50.6 m -72.3 121.34 19.28 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.964 -1.085 . . . . 0.0 111.855 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -79.83 73.02 6.6 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.035 1.334 . . . . 0.0 111.957 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -76.07 135.32 39.9 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.201 1.001 . . . . 0.0 109.477 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.4 pt -142.97 164.87 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.82 0.848 . . . . 0.0 112.768 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 75.0 m -49.11 -47.44 45.36 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.313 -0.867 . . . . 0.0 113.215 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -63.66 -25.27 68.14 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.844 1.202 . . . . 0.0 112.878 -173.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -7.65 56.7 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -54.54 136.36 44.92 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.679 1.592 . . . . 0.0 111.862 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 56.6 m -60.27 -42.34 95.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.345 1.458 . . . . 0.0 113.475 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.14 102.47 13.3 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.243 1.017 . . . . 0.0 111.368 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -58.93 -21.64 58.43 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.865 1.666 . . . . 0.0 113.512 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.05 -26.26 68.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.099 1.76 . . . . 0.0 113.563 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -133.02 16.87 4.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.535 1.534 . . . . 0.0 113.616 -173.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.37 32.66 0.93 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.972 1.709 . . . . 0.0 114.975 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -149.87 148.67 29.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.968 1.307 . . . . 0.0 111.49 166.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.56 -18.36 4.32 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 125.786 1.634 . . . . 0.0 112.599 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 33.6 m -90.67 -15.01 31.15 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.359 1.864 . . . . 0.0 113.569 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.11 -175.49 1.84 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.9 t -81.18 -159.84 0.29 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.008 1.723 . . . . 0.0 113.147 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -153.61 155.7 36.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 128.192 2.597 . . . . 0.0 109.893 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.8 -40.11 91.59 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.541 1.519 . . . . 0.0 112.052 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -144.33 140.08 28.91 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.026 1.33 . . . . 0.0 110.388 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.03 156.58 20.92 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.184 0.902 . . . . 0.0 111.152 173.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -61.59 -32.3 72.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -163.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -71.39 -28.53 64.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.532 1.133 . . . . 0.0 113.037 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -83.11 -37.24 24.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.384 1.074 . . . . 0.0 111.95 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.529 HG13 HCM2 ' B' ' 4' ' ' MLZ . 1.7 tp -67.87 -54.85 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.667 0.667 . . . . 0.0 111.081 169.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -57.83 -26.28 61.8 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.445 -1.409 . . . . 0.0 114.043 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -66.26 -36.35 82.76 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.157 1.383 . . . . 0.0 114.164 167.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -65.82 -33.45 75.89 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.97 1.308 . . . . 0.0 112.516 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.62 -38.45 29.23 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.854 0.862 . . . . 0.0 111.946 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.81 38.71 4.84 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.852 1.691 . . . . 0.0 113.302 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 15.9 pt -136.34 172.33 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.892 1.677 . . . . 0.0 112.869 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -117.17 96.43 0.7 Allowed Glycine 0 CA--C 1.528 0.892 0 C-N-CA 126.198 1.856 . . . . 0.0 110.6 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 923' ' ' GLN . . . . . 0.477 ' CD ' ' HZ ' ' B' ' 4' ' ' MLZ . 9.1 tp60 -65.64 160.39 22.74 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.294 1.038 . . . . 0.0 113.548 -176.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.11 -44.3 84.69 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.504 1.122 . . . . 0.0 113.119 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -67.75 -35.78 79.35 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.282 1.033 . . . . 0.0 112.383 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.97 -46.34 65.45 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.151 1.38 . . . . 0.0 112.949 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 23.5 t0 55.72 17.88 2.62 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.965 1.706 . . . . 0.0 113.742 -168.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.339 0 C-N-CA 126.116 1.766 . . . . 0.0 113.555 177.451 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.61 130.85 45.18 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.997 158.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t -161.66 -161.78 0.81 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 176.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.529 HCM2 HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -146.5 111.12 5.2 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.683 -1.261 . . . . 0.0 114.249 -170.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -70.13 133.55 47.24 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.022 1.329 . . . . 0.0 112.588 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.79 -5.77 11.55 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.025 1.33 . . . . 0.0 113.702 172.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -90.77 69.44 6.54 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.65 1.58 . . . . 0.0 111.143 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.538 1.535 . . . . 0.0 113.165 177.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 44.0 t -65.96 137.09 56.9 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.633 0.773 . . . . 0.0 112.517 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -85.69 -30.81 22.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.95 1.3 . . . . 0.0 112.445 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.77 -59.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.445 2.298 . . . . 0.0 108.403 -164.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -155.68 159.65 39.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.725 2.41 . . . . 0.0 109.097 164.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 37.1 p -100.4 148.56 24.59 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 8.9 p -166.67 155.49 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 126.6 1.96 . . . . 0.0 110.917 173.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 170.05 51.93 0.04 OUTLIER Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.752 0.691 . . . . 0.0 114.774 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 73.1 m -144.99 148.34 33.64 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.049 1.34 . . . . 0.0 112.68 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.2 140.43 41.66 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.102 0.961 . . . . 0.0 111.974 168.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -161.14 -54.9 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.478 1.511 . . . . 0.0 110.421 168.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 9.6 p -77.05 174.68 10.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.435 2.294 . . . . 0.0 113.985 173.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 862' ' ' GLU . . . . . 0.468 ' HG2' ' H ' ' A' ' 863' ' ' SER . 14.2 tt0 -66.99 -177.86 0.69 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.596 1.159 . . . . 0.0 111.755 159.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 863' ' ' SER . . . . . 0.468 ' H ' ' HG2' ' A' ' 862' ' ' GLU . 38.6 m -42.34 144.4 0.5 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.009 2.523 . . . . 0.0 115.857 -174.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -125.86 -172.34 2.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.687 1.595 . . . . 0.0 113.102 -163.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -104.32 175.71 5.4 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.526 -0.734 . . . . 0.0 111.821 159.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.15 146.17 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.392 1.477 . . . . 0.0 110.801 163.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.21 142.95 27.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 111.728 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.93 126.51 30.63 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.8 0.84 . . . . 0.0 111.754 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -83.3 -10.59 58.42 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.94 -27.4 22.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.111 0.869 . . . . 0.0 112.662 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.265 16.0 p -128.78 -94.15 0.43 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.819 1.247 . . . . 0.0 111.761 166.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -170.51 -18.1 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.179 2.592 . . . . 0.0 113.177 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.02 141.53 2.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.08 1.352 . . . . 0.0 114.325 -174.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.528 ' CG ' HCM1 ' B' ' 4' ' ' MLZ . 76.5 m95 -101.84 148.85 24.82 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 125.505 1.522 . . . . 0.0 112.063 -176.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -145.07 138.93 27.03 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.307 1.443 . . . . 0.0 110.289 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -76.23 128.32 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.492 1.517 . . . . 0.0 109.85 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.3 pt -135.33 155.6 78.56 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 125.308 1.443 . . . . 0.0 112.508 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -66.79 149.27 83.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 121.839 1.693 . . . . 0.0 111.017 163.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.28 62.63 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 70.8 m -60.57 -25.55 66.28 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.129 -0.982 . . . . 0.0 112.792 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.4 t -84.37 -38.81 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.625 0.77 . . . . 0.0 110.471 171.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -19.46 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 118.914 0.779 . . . . 0.0 113.048 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.03 -21.24 46.82 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.974 1.273 . . . . 0.0 114.732 169.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -83.68 -35.78 24.26 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 112.145 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.4 114.97 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.313 1.445 . . . . 0.0 108.906 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -94.26 177.71 5.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.902 1.681 . . . . 0.0 111.905 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -79.52 -28.17 41.36 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.773 -1.204 . . . . 0.0 112.561 165.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 35.0 t -71.42 -32.44 68.39 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.016 0.926 . . . . 0.0 112.714 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 12.7 t -72.64 173.18 9.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.367 1.467 . . . . 0.0 111.796 169.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -147.02 131.63 17.8 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.957 1.303 . . . . 0.0 111.843 171.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -106.85 138.27 43.34 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.01 1.724 . . . . 0.0 110.366 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 22.8 pt -142.21 162.39 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.966 0.906 . . . . 0.0 112.756 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 71.2 m -46.48 -47.82 19.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.564 1.146 . . . . 0.0 113.325 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 52.8 mtt -65.5 -19.63 66.01 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.907 1.23 . . . . 0.0 113.09 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -15.12 37.73 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.94 1.696 . . . . 0.0 113.375 174.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 139.35 44.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.013 1.325 . . . . 0.0 112.7 -172.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.8 m -54.59 -48.45 72.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.735 1.214 . . . . 0.0 113.234 173.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.73 103.98 16.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.453 1.101 . . . . 0.0 112.142 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 899' ' ' LYS . . . . . 0.508 ' CA ' ' HE3' ' A' ' 899' ' ' LYS . 0.0 OUTLIER -59.77 -18.96 47.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.582 1.953 . . . . 0.0 114.014 -177.047 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -67.13 -24.92 65.97 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.396 1.478 . . . . 0.0 113.657 170.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.27 5.66 5.8 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -80.87 35.98 0.38 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.359 2.263 . . . . 0.0 114.836 -172.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.42 148.41 30.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 0.0 111.599 168.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 83.6 m -57.98 -16.07 11.19 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.405 1.482 . . . . 0.0 112.834 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 60.9 m -91.78 -14.81 29.24 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.223 1.409 . . . . 0.0 113.27 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -77.53 179.5 6.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -87.7 -161.64 0.73 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.168 1.787 . . . . 0.0 113.051 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.62 156.83 42.57 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.151 2.581 . . . . 0.0 110.486 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.33 -39.19 93.4 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.057 1.298 . . . . 0.0 112.277 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.58 140.37 27.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 0.0 109.636 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 p -60.46 151.89 27.12 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.142 1.337 . . . . 0.0 111.51 168.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.73 -34.74 74.86 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -164.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.41 -26.59 68.52 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.039 0.936 . . . . 0.0 113.372 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -85.98 -39.33 17.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.411 1.084 . . . . 0.0 112.586 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -71.49 -54.02 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.379 0.99 . . . . 0.0 111.922 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -56.33 -26.14 51.33 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 120.007 -1.683 . . . . 0.0 113.77 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.39 -32.71 74.43 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.182 1.793 . . . . 0.0 114.794 168.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -64.8 -38.5 91.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.252 1.421 . . . . 0.0 111.819 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.6 mp -84.01 -36.29 23.26 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.09 0.956 . . . . 0.0 112.186 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.2 44.52 3.51 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.509 1.528 . . . . 0.0 113.102 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 23.6 pt -129.0 -172.89 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.228 1.811 . . . . 0.0 112.131 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -145.61 131.98 4.4 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 126.705 2.098 . . . . 0.0 109.767 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 923' ' ' GLN . . . . . 0.53 HE22 ' HD3' ' B' ' 4' ' ' MLZ . 1.6 pt20 -155.41 -179.52 8.18 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.781 2.032 . . . . 0.0 112.33 176.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 66.63 -7.42 0.45 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 128.518 2.727 . . . . 0.0 116.472 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -60.28 -30.66 69.6 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.026 2.13 . . . . 0.0 113.507 166.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . 67.03 -41.49 0.41 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 131.112 3.765 . . . . 0.0 115.424 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -69.96 -9.66 55.9 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.246 1.419 . . . . 0.0 114.659 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 C-N-CA 128.371 2.669 . . . . 0.0 114.112 177.069 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.51 121.47 7.11 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 119.719 1.145 . . . . 0.0 111.878 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.1 t -164.57 -159.46 0.47 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.485 1.114 . . . . 0.0 111.24 168.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.53 ' HD3' HE22 ' A' ' 923' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -137.36 99.56 4.0 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.536 1.134 . . . . 0.0 113.308 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -68.21 -37.48 80.93 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 49.72 36.29 10.62 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.222 1.409 . . . . 0.0 114.237 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -152.11 129.99 11.72 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 127.79 2.436 . . . . 0.0 108.973 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 35.7 p90 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.779 2.032 . . . . 0.0 113.715 176.145 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.102 -0.399 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 7.7 t 58.89 -170.11 0.13 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.723 1.609 . . . . 0.0 113.938 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 61.07 12.93 4.29 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.849 2.46 . . . . 0.0 116.349 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 52.5 mmt-85 60.6 170.06 0.09 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 128.01 2.524 . . . . 0.0 114.562 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 59.9 150.61 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.91 2.484 . . . . 0.0 114.984 -162.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 92.7 p -169.83 172.65 6.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.014 1.726 . . . . 0.0 112.105 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.46 166.58 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.506 1.522 . . . . 0.0 114.066 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -135.51 58.14 0.68 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 127.128 2.299 . . . . 0.0 110.917 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 19.6 m -73.56 -0.51 15.41 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -166.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -149.28 156.98 42.94 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 126.854 2.062 . . . . 0.0 111.969 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.36 -53.47 5.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.768 1.227 . . . . 0.0 112.874 -175.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 861' ' ' THR . . . . . 0.561 HG22 ' H ' ' A' ' 862' ' ' GLU . 22.9 m 59.33 -170.46 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.445 1.098 . . . . 0.0 111.437 -172.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 862' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 861' ' ' THR . 53.1 mt-10 -72.23 164.09 26.84 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 119.48 -2.012 . . . . 0.0 112.019 167.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 60.6 m -50.73 135.4 23.64 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.944 1.297 . . . . 0.0 112.696 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -131.66 179.69 5.9 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.86 0.864 . . . . 0.0 112.034 -155.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -92.66 174.55 7.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.171 -0.956 . . . . 0.0 112.016 160.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.79 142.83 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.638 1.975 . . . . 0.0 109.395 166.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.96 147.85 27.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.295 1.038 . . . . 0.0 111.576 174.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.77 112.47 8.84 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.127 0.489 . . . . 0.0 109.694 155.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -62.35 -16.65 55.73 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 171.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.64 -13.19 23.02 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.01 1.324 . . . . 0.0 113.665 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 87.4 m -118.54 -103.71 0.41 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 126.258 1.823 . . . . 0.0 110.36 170.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 51.8 p90 174.09 -16.68 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.929 1 C-N-CA 132.273 4.229 . . . . 0.0 110.232 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.455 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 7.1 ttpt -45.88 153.86 0.27 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.375 2.67 . . . . 0.0 113.465 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.463 ' CH2' ' HE2' ' B' ' 4' ' ' MLZ . 76.2 m95 -119.96 148.75 43.15 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.818 0.847 . . . . 0.0 113.04 -177.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -141.78 137.21 31.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.153 1.381 . . . . 0.0 112.613 172.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 126.03 31.21 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.462 1.505 . . . . 0.0 110.059 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.19 159.69 70.42 Favored Pre-proline 0 N--CA 1.471 0.581 0 C-N-CA 128.136 2.574 . . . . 0.0 111.55 -173.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -69.9 151.04 68.16 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.545 1.497 . . . . 0.0 111.474 163.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.79 -23.1 40.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 39.1 t -59.17 -30.18 68.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.261 1.024 . . . . 0.0 112.043 173.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 93.8 t -84.24 -42.34 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.197 0.999 . . . . 0.0 110.526 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -21.47 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 121.497 -0.752 . . . . 0.0 112.401 -177.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -90.96 7.51 81.05 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.396 1.95 . . . . 0.0 114.843 173.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 21.9 t -129.66 -25.67 2.57 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.659 1.584 . . . . 0.0 113.191 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.88 127.54 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 124.879 1.271 . . . . 0.0 109.373 169.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -139.31 170.12 16.52 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.099 1.759 . . . . 0.0 113.518 -170.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.18 -37.07 64.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.948 1.699 . . . . 0.0 114.681 -174.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 90.9 p -81.09 -10.7 59.63 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.622 1.569 . . . . 0.0 113.495 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 8.9 t -91.28 168.23 11.74 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.553 1.541 . . . . 0.0 112.024 171.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -131.27 114.16 14.7 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.544 1.138 . . . . 0.0 109.213 155.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -78.34 128.9 34.34 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 165.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.6 pt -141.56 164.35 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.182 0.993 . . . . 0.0 111.543 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.455 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 22.3 m -49.81 -45.59 50.16 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.76 -23.98 67.58 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.998 1.272 . . . . 0.0 113.082 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -14.13 47.82 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.439 1.496 . . . . 0.0 113.508 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -55.95 135.82 52.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.16 1.384 . . . . 0.0 112.768 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.3 m -57.69 -43.33 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.265 1.426 . . . . 0.0 113.593 170.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.25 103.84 13.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.378 1.071 . . . . 0.0 112.213 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.86 -16.17 38.57 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.167 1.787 . . . . 0.0 113.438 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -57.8 -32.53 67.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 168.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -140.58 17.96 2.36 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -84.43 39.27 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.542 1.537 . . . . 0.0 114.782 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.87 144.48 31.13 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.515 1.526 . . . . 0.0 110.953 173.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.5 m -59.69 -20.11 54.17 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.327 0.651 . . . . 0.0 111.969 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 20.4 m -87.2 -17.87 31.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.333 1.453 . . . . 0.0 114.087 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -74.73 175.13 8.23 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.561 1.144 . . . . 0.0 113.878 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.7 t -87.28 -156.49 0.34 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.912 1.685 . . . . 0.0 112.249 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.79 166.15 34.18 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.22 2.608 . . . . 0.0 110.595 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -73.73 -26.22 60.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.4 mmt -148.9 128.66 13.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.391 1.476 . . . . 0.0 110.305 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.1 m -61.69 160.88 10.85 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.153 0.981 . . . . 0.0 110.96 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -64.18 -26.85 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 120.6 -1.312 . . . . 0.0 112.794 -174.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.07 -0.77 29.34 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.628 1.571 . . . . 0.0 114.126 170.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -114.25 -45.91 3.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.937 . . . . 0.0 111.564 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.525 HG13 ' HZ ' ' B' ' 4' ' ' MLZ . 1.0 OUTLIER -77.38 7.26 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 123.804 1.764 . . . . 0.0 114.837 174.222 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -94.25 -41.3 9.54 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.653 -1.904 . . . . 0.0 112.601 156.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.69 -30.4 70.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.904 1.281 . . . . 0.0 113.904 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -60.05 -33.47 72.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.775 0.83 . . . . 0.0 112.843 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.44 -26.72 14.75 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 97.34 28.59 8.43 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.192 1.377 . . . . 0.0 113.38 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 49.7 pt -108.78 170.37 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.623 1.969 . . . . 0.0 111.435 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -94.37 -41.08 4.33 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.139 0.876 . . . . 0.0 114.16 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . 0.254 4.9 tp-100 59.71 142.59 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.953 2.901 . . . . 0.0 116.163 -166.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -75.09 -33.07 61.6 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 114.606 -1.179 . . . . 0.0 113.396 -173.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.54 -37.96 86.11 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.985 0.914 . . . . 0.0 112.367 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -72.43 -44.15 62.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.904 1.282 . . . . 0.0 112.699 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 27.9 t0 56.44 19.17 3.91 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.791 1.636 . . . . 0.0 113.507 -166.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.332 0 C-N-CA 125.804 1.642 . . . . 0.0 113.587 176.21 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.44 108.2 0.6 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.177 0.991 . . . . 0.0 110.166 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -158.7 -164.57 1.47 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.525 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -141.65 104.32 4.53 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.972 -1.08 . . . . 0.0 113.617 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -71.32 132.57 45.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.971 1.309 . . . . 0.0 112.862 -174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.74 17.92 1.64 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.095 1.358 . . . . 0.0 113.465 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -76.52 160.85 29.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.66 1.984 . . . . 0.0 110.082 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 10.6 p90 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 129.222 3.009 . . . . 0.0 114.0 178.072 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.414 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 66.6 m -74.03 160.09 31.77 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.895 1.278 . . . . 0.0 113.309 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -23.1 63.79 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -176.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 11.8 mtm105 58.8 173.62 0.07 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.01 2.524 . . . . 0.0 114.586 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -156.69 156.95 34.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.912 1.285 . . . . 0.0 112.318 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 52.1 p 54.7 -171.66 0.05 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.476 2.31 . . . . 0.0 115.293 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.0 m -146.73 167.39 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.338 1.855 . . . . 0.0 112.547 -173.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 99.33 133.64 8.18 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 116.216 1.246 . . . . 0.0 116.216 163.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 83.1 p -151.53 150.12 29.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.071 2.149 . . . . 0.0 110.927 169.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -152.64 159.6 43.2 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.222 1.409 . . . . 0.0 111.053 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -54.46 -64.26 0.89 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.744 1.618 . . . . 0.0 113.128 -164.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 861' ' ' THR . . . . . 0.648 HG22 ' H ' ' A' ' 862' ' ' GLU . 16.8 m 52.66 -159.09 0.13 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.3 1.04 . . . . 0.0 111.369 -174.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 862' ' ' GLU . . . . . 0.648 ' H ' HG22 ' A' ' 861' ' ' THR . 63.3 mt-10 -75.51 166.69 23.19 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 119.775 -1.828 . . . . 0.0 111.287 158.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 57.9 m -46.98 132.27 11.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.189 1.396 . . . . 0.0 113.535 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -133.9 178.14 7.18 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.521 1.128 . . . . 0.0 111.708 -151.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -94.17 175.35 6.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.949 -1.095 . . . . 0.0 112.24 167.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.97 143.4 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.21 1.804 . . . . 0.0 110.254 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 148.74 23.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.797 1.239 . . . . 0.0 111.921 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.11 119.32 19.1 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.978 0.911 . . . . 0.0 110.691 161.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -77.13 -4.6 45.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 170.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -90.64 -50.99 5.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.697 1.135 . . . . 0.0 110.884 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.298 13.7 p -103.45 -102.88 0.29 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.639 1.176 . . . . 0.0 111.26 167.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -164.91 -13.32 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -53.38 141.27 24.96 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -93.8 145.33 24.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.408 1.083 . . . . 0.0 111.749 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -142.02 135.73 29.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.524 1.53 . . . . 0.0 112.986 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.55 124.57 28.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.978 1.311 . . . . 0.0 110.644 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.18 160.32 68.45 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 128.145 2.578 . . . . 0.0 111.319 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -68.38 149.58 75.28 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 121.593 1.529 . . . . 0.0 111.788 166.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -57.22 -25.84 59.73 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -60.71 -27.22 67.73 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.615 1.166 . . . . 0.0 112.429 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 83.5 t -89.23 -39.18 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.93 0.892 . . . . 0.0 110.899 172.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -22.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.416 1.007 . . . . 0.0 113.146 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.42 -20.15 49.56 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.528 1.061 . . . . 0.0 114.402 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.2 t -79.95 -40.42 28.09 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.569 1.147 . . . . 0.0 111.505 170.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.4 146.71 13.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 125.957 1.703 . . . . 0.0 109.951 168.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -159.18 -177.47 6.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.413 1.885 . . . . 0.0 109.423 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -71.87 -18.18 62.07 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.887 -1.133 . . . . 0.0 113.65 166.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 83.5 p -76.66 0.52 20.01 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.027 0.931 . . . . 0.0 113.022 167.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 22.7 t -126.71 167.64 15.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.142 2.177 . . . . 0.0 111.209 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -132.27 92.29 3.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.432 1.493 . . . . 0.0 110.367 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -77.4 133.73 38.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.408 0.683 . . . . 0.0 109.238 171.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 15.7 pt -141.88 163.08 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.025 0.93 . . . . 0.0 111.808 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.5 m -48.71 -47.8 40.85 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.72 0.808 . . . . 0.0 112.886 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 73.0 mtm -68.2 -14.67 63.16 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.725 -1.235 . . . . 0.0 113.619 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -15.55 34.05 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.644 1.577 . . . . 0.0 113.15 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -59.1 137.02 58.12 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.248 1.419 . . . . 0.0 112.925 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 41.8 m -59.0 -42.42 90.0 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.084 1.354 . . . . 0.0 113.561 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -83.77 103.97 13.5 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.448 1.099 . . . . 0.0 112.044 -172.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.0 -18.95 49.76 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.059 1.744 . . . . 0.0 113.497 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -60.29 -27.37 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.248 1.819 . . . . 0.0 113.09 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -137.04 12.1 3.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.04 31.46 0.32 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -148.34 147.23 29.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.203 1.801 . . . . 0.0 110.466 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 72.4 m -59.97 -17.02 34.95 Favored 'General case' 0 CA--C 1.561 1.391 0 O-C-N 121.379 -0.826 . . . . 0.0 112.337 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 67.4 m -85.62 -22.03 28.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.491 1.516 . . . . 0.0 113.596 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -72.09 -179.83 2.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.436 0.695 . . . . 0.0 112.027 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 6.2 t -152.46 152.71 32.29 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.44 162.44 25.49 Favored 'General case' 0 CA--C 1.541 0.599 1 C-N-CA 134.138 4.975 . . . . 0.0 116.797 -154.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -88.3 -29.46 20.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.289 1.036 . . . . 0.0 113.123 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.7 mmt -141.25 137.52 32.6 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 109.583 167.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.6 m -67.11 161.16 25.17 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.341 0.973 . . . . 0.0 111.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -68.23 -19.88 64.77 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -168.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -67.81 -43.41 79.71 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.773 0.715 . . . . 0.0 111.214 166.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -72.65 -46.4 54.12 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.037 0.935 . . . . 0.0 111.305 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.606 HG13 ' HZ ' ' B' ' 4' ' ' MLZ 0.293 1.3 tp -80.11 15.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 173.759 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . 0.284 0.8 OUTLIER -111.12 -32.9 6.63 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.642 -1.286 . . . . 0.0 113.874 155.319 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.08 -32.63 74.43 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.454 1.102 . . . . 0.0 113.361 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.23 -31.35 68.98 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.36 1.064 . . . . 0.0 112.958 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.9 mp -105.78 -28.95 10.36 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.526 1.131 . . . . 0.0 112.559 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.21 44.29 5.07 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.329 1.442 . . . . 0.0 112.67 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.39 165.35 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.724 1.609 . . . . 0.0 112.84 -171.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -108.07 72.8 0.2 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.218 1.389 . . . . 0.0 113.812 -174.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 174.63 9.76 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 117.871 0.835 . . . . 0.0 112.248 171.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.48 -29.55 70.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.478 1.111 . . . . 0.0 113.563 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 64.38 -58.12 0.23 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 129.314 3.046 . . . . 0.0 116.302 173.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -156.23 -49.93 0.08 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.597 1.559 . . . . 0.0 113.383 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 20.0 t0 55.45 15.12 1.32 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.783 1.633 . . . . 0.0 114.549 -168.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.922 1.689 . . . . 0.0 113.466 177.65 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.13 147.2 48.32 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 121.336 -0.852 . . . . 0.0 110.882 164.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.4 t -167.3 -174.95 2.74 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -174.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.606 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -125.16 92.27 3.6 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.728 1.211 . . . . 0.0 111.441 -170.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.2 131.94 52.05 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.752 1.221 . . . . 0.0 113.861 -175.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.67 -17.79 20.12 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.839 1.256 . . . . 0.0 113.681 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.11 63.46 6.33 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.121 1.768 . . . . 0.0 111.918 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.892 1.677 . . . . 0.0 112.303 -176.891 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 15.9 m -65.78 -14.88 62.22 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.29 -25.46 59.6 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.413 1.485 . . . . 0.0 112.695 171.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -109.07 -10.91 14.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.684 1.994 . . . . 0.0 114.536 174.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' B' ' 1' ' ' ALA . . . 64.04 -156.21 0.31 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.345 1.858 . . . . 0.0 114.973 162.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 89.3 p -136.92 178.1 7.34 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.361 1.864 . . . . 0.0 113.694 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.48 156.19 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.682 1.593 . . . . 0.0 112.144 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -103.77 56.48 0.58 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.907 1.718 . . . . 0.0 112.557 168.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 p -69.97 159.63 33.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.52 1.528 . . . . 0.0 113.254 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -84.08 153.18 23.93 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.277 1.431 . . . . 0.0 111.885 173.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -72.97 -49.72 27.49 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . 0.269 13.3 t 48.83 -153.32 0.11 Allowed 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 126.256 1.823 . . . . 0.0 112.782 -171.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.81 -37.57 10.21 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.361 1.465 . . . . 0.0 112.93 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 64.3 m -151.81 136.11 16.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.564 1.946 . . . . 0.0 111.58 173.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -129.47 -174.32 3.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.113 1.765 . . . . 0.0 111.741 -171.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -104.98 170.7 7.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.097 -1.002 . . . . 0.0 111.728 164.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.3 p -144.48 143.48 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.934 1.694 . . . . 0.0 109.692 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -95.66 150.26 20.56 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.546 1.138 . . . . 0.0 112.343 175.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.8 t -74.16 124.77 26.96 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.554 1.142 . . . . 0.0 112.142 170.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.74 -9.63 58.56 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -108.24 -32.03 7.65 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.98 1.264 . . . . 0.0 113.391 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.295 14.4 p -113.73 -104.67 0.4 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.28 1.032 . . . . 0.0 110.73 161.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -168.57 -3.51 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.181 2.193 . . . . 0.0 115.706 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.432 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 3.0 tppt? -47.52 151.57 0.78 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.92 2.488 . . . . 0.0 113.29 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.413 ' CD2' HCM3 ' B' ' 4' ' ' MLZ . 78.8 m95 -108.05 149.21 28.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.048 1.339 . . . . 0.0 112.857 171.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -143.85 136.25 26.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.932 1.293 . . . . 0.0 111.751 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 124.87 29.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.149 1.38 . . . . 0.0 109.509 175.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 50.3 pt -129.83 155.81 79.91 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 126.88 2.072 . . . . 0.0 111.537 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -68.24 150.14 76.43 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.547 1.498 . . . . 0.0 111.021 164.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.37 -21.79 16.86 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 67.6 m -62.47 -25.19 67.86 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.241 -0.912 . . . . 0.0 112.588 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 99.4 t -87.53 -40.03 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 110.678 171.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -20.93 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.78 0.718 . . . . 0.0 112.699 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.61 -20.67 59.56 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.996 1.284 . . . . 0.0 114.306 171.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.1 t -85.82 -42.4 14.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.931 1.292 . . . . 0.0 111.953 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.94 134.15 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.712 1.605 . . . . 0.0 109.857 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -145.29 179.68 7.22 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.773 1.629 . . . . 0.0 112.07 -172.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.71 -20.56 61.42 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.046 -1.034 . . . . 0.0 113.311 170.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 83.7 p -85.01 -14.35 47.7 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.221 1.008 . . . . 0.0 113.596 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 24.2 m -81.84 164.45 21.62 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.187 1.395 . . . . 0.0 113.479 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -137.05 75.99 1.56 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.963 1.705 . . . . 0.0 110.155 169.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -73.76 130.07 39.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.2 pt -142.35 163.66 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.99 0.916 . . . . 0.0 112.507 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.432 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 57.9 m -50.45 -45.16 55.81 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.137 0.975 . . . . 0.0 113.338 174.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.7 tpp -63.84 -23.93 67.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.052 1.296 . . . . 0.0 112.604 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.61 -14.37 48.9 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.744 1.617 . . . . 0.0 113.302 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.9 134.38 52.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.843 1.257 . . . . 0.0 112.421 -173.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 46.3 m -56.85 -42.8 80.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.364 1.466 . . . . 0.0 113.617 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.57 101.99 13.16 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.371 1.069 . . . . 0.0 111.722 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -60.5 -18.67 53.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.898 1.679 . . . . 0.0 113.88 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -66.32 -24.77 66.59 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.317 1.847 . . . . 0.0 113.397 171.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -136.08 21.79 3.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.441 1.496 . . . . 0.0 113.569 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -94.92 34.12 1.4 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.908 1.683 . . . . 0.0 115.036 -172.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.25 146.52 30.78 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.04 1.336 . . . . 0.0 110.722 172.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.3 m -56.42 -18.85 12.5 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.768 0.827 . . . . 0.0 112.211 171.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.8 m -89.39 -19.1 25.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.134 1.773 . . . . 0.0 114.61 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -69.92 177.42 3.14 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.1 t -78.77 -166.94 0.97 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.6 1.56 . . . . 0.0 113.185 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -147.75 147.65 30.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.924 2.49 . . . . 0.0 109.804 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.82 -24.13 61.66 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.694 -1.254 . . . . 0.0 113.903 -174.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.4 mtt -143.46 139.69 30.0 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.863 1.265 . . . . 0.0 109.091 171.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -67.37 158.91 30.51 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.63 1.559 . . . . 0.0 110.583 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.69 -33.53 74.16 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.482 -0.761 . . . . 0.0 111.752 -169.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.01 -10.25 59.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.386 1.875 . . . . 0.0 114.825 175.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -99.97 -42.13 6.9 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.729 1.612 . . . . 0.0 111.15 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.667 HG12 HCM1 ' B' ' 4' ' ' MLZ . 1.9 tp -70.42 -50.58 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.978 -0.451 . . . . 0.0 111.619 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -55.38 -26.59 42.22 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.968 -1.707 . . . . 0.0 113.893 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -70.06 -35.82 74.53 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.788 2.035 . . . . 0.0 114.368 170.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -65.28 -39.98 93.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.116 0.966 . . . . 0.0 111.759 174.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.33 -34.69 42.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.386 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 82.7 47.62 5.86 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.596 1.569 . . . . 0.0 113.077 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 39.3 pt -133.54 165.02 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 113.938 -165.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -99.89 58.75 0.78 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.085 1.802 . . . . 0.0 114.55 -174.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.02 173.64 4.42 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 117.869 0.835 . . . . 0.0 112.281 171.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.89 -31.21 66.51 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.178 1.391 . . . . 0.0 113.444 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 61.15 -64.47 0.07 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 129.448 3.099 . . . . 0.0 115.099 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -161.49 -49.46 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.723 1.609 . . . . 0.0 113.474 172.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -81.28 3.71 23.07 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 127.733 2.413 . . . . 0.0 115.01 174.371 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 854' ' ' ALA . . . . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.14 132.11 46.72 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.232 2.213 . . . . 0.0 111.124 171.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.4 t -153.33 -160.17 1.08 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.667 HCM1 HG12 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -155.87 123.95 5.74 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 168.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -38.86 73.63 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.746 1.618 . . . . 0.0 113.582 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.55 7.81 0.78 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.087 1.755 . . . . 0.0 115.183 -171.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -84.6 84.95 7.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 127.272 2.229 . . . . 0.0 108.734 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 61.3 t80 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.665 1.586 . . . . 0.0 112.094 -176.44 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 67.4 m -131.88 151.76 51.49 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.144 1.377 . . . . 0.0 112.534 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -134.95 51.07 2.12 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.734 2.414 . . . . 0.0 111.393 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -65.86 155.97 34.76 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.019 1.327 . . . . 0.0 112.271 -177.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -67.41 158.57 31.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 122.953 0.501 . . . . 0.0 111.457 164.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 71.2 p -105.78 175.84 5.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.571 1.548 . . . . 0.0 114.835 -168.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.65 155.51 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.673 1.589 . . . . 0.0 112.254 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -108.5 96.6 1.03 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 126.005 1.764 . . . . 0.0 109.517 165.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 63.0 p -60.94 144.04 53.89 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.853 1.661 . . . . 0.0 114.312 -173.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -160.52 165.9 30.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.964 2.506 . . . . 0.0 109.902 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -81.05 -79.07 0.16 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.483 -0.761 . . . . 0.0 112.88 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 34.3 p 55.27 -138.72 1.04 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.305 1.442 . . . . 0.0 113.75 -170.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -107.46 171.9 7.13 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.57 2.348 . . . . 0.0 112.008 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 34.5 m -47.11 143.44 3.13 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -166.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.16 -178.67 5.01 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.196 1.398 . . . . 0.0 113.092 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 865' ' ' TRP . . . . . 0.524 ' HE1' HG21 ' B' ' 6' ' ' THR . 51.2 m95 -130.54 138.64 50.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 123.742 0.817 . . . . 0.0 111.816 167.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -115.08 136.82 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.068 0.947 . . . . 0.0 111.466 -168.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.38 143.28 27.1 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.788 0.835 . . . . 0.0 111.944 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.7 124.51 23.47 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.439 0.695 . . . . 0.0 111.305 165.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.35 -12.51 61.16 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.815 1.246 . . . . 0.0 113.963 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -100.73 -29.77 12.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.752 1.16 . . . . 0.0 112.571 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.277 14.5 p -121.94 -104.22 0.39 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.746 1.218 . . . . 0.0 111.188 160.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -170.84 -4.64 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.348 2.259 . . . . 0.0 115.804 -174.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.83 141.25 13.57 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.219 0.918 . . . . 0.0 112.716 176.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -96.35 149.69 21.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.195 1.398 . . . . 0.0 111.939 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -143.27 136.67 28.24 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.258 1.823 . . . . 0.0 110.899 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.49 126.67 30.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.19 1.796 . . . . 0.0 109.67 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.6 pt -133.4 154.65 81.02 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 126.093 1.757 . . . . 0.0 111.548 -177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -70.49 152.33 65.47 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.521 1.481 . . . . 0.0 110.931 166.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -51.78 -26.56 9.91 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 173.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.5 m -61.47 -25.74 67.44 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.685 0.794 . . . . 0.0 112.495 175.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 87.5 t -88.33 -41.03 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.904 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 882' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -68.41 -20.3 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.165 0.893 . . . . 0.0 113.341 -176.743 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -87.48 -16.22 60.69 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.756 1.17 . . . . 0.0 114.253 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.7 t -89.6 -39.18 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.305 1.442 . . . . 0.0 112.133 174.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.01 119.09 13.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.642 1.577 . . . . 0.0 109.041 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -111.91 162.03 15.76 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.112 1.765 . . . . 0.0 110.788 172.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -64.63 -22.69 67.04 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.031 -1.043 . . . . 0.0 113.198 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 28.9 t -70.74 -25.37 62.9 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.552 1.141 . . . . 0.0 113.166 170.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 10.5 t -83.65 171.27 13.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.314 1.446 . . . . 0.0 112.186 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.23 95.19 3.48 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.484 1.514 . . . . 0.0 110.62 175.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -77.35 133.1 38.82 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 169.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.9 pt -141.57 162.84 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.653 0.781 . . . . 0.0 112.476 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 81.4 m -47.97 -47.43 32.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.292 1.037 . . . . 0.0 113.158 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.26 -20.79 66.58 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 120.199 1.363 . . . . 0.0 112.973 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -14.99 42.92 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.635 1.574 . . . . 0.0 113.495 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -55.43 134.38 50.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.831 1.253 . . . . 0.0 112.253 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 9.0 m -57.2 -40.37 77.29 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.744 1.218 . . . . 0.0 113.605 172.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.83 98.74 11.64 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.124 0.964 . . . . 0.0 111.597 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.11 -18.21 45.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.263 1.825 . . . . 0.0 113.794 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.41 -25.62 66.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.767 1.627 . . . . 0.0 113.409 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -129.83 9.67 5.43 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.09 37.47 0.49 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.336 2.255 . . . . 0.0 114.703 -172.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.94 149.47 30.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 111.579 167.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.7 m -57.65 -17.3 13.96 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 125.264 1.426 . . . . 0.0 112.545 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 28.5 m -89.02 -17.64 28.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.839 1.656 . . . . 0.0 113.008 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -77.89 177.97 7.8 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -88.03 -161.93 0.77 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.979 1.711 . . . . 0.0 113.096 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -152.65 153.85 34.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.057 2.543 . . . . 0.0 110.163 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.96 -37.31 87.23 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.622 -1.299 . . . . 0.0 112.455 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 63.5 mtt -144.08 140.14 29.3 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.697 1.599 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -64.58 158.27 24.73 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.426 1.012 . . . . 0.0 110.79 175.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.03 -29.3 70.71 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.306 -0.871 . . . . 0.0 112.215 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -79.86 -1.44 39.09 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.832 2.053 . . . . 0.0 115.046 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -108.65 -39.64 5.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.167 1.787 . . . . 0.0 111.607 175.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -52.21 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.515 -0.741 . . . . 0.0 111.478 172.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -53.19 -30.72 39.13 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.228 -1.545 . . . . 0.0 113.475 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.32 -34.05 76.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.771 1.628 . . . . 0.0 114.095 173.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.77 -38.58 91.45 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.455 -0.778 . . . . 0.0 112.0 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.7 mt -77.25 -24.91 51.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.403 1.081 . . . . 0.0 112.148 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.78 33.14 10.19 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.686 1.613 . . . . 0.0 113.523 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 35.1 pt -138.81 173.04 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.376 1.87 . . . . 0.0 111.894 -167.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -90.27 -28.36 17.65 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.118 0.866 . . . . 0.0 114.966 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 59.41 157.83 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.076 1.75 . . . . 0.0 114.185 -154.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -83.6 -27.45 29.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 113.661 -1.608 . . . . 0.0 113.207 -173.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.28 -39.72 89.57 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.889 1.275 . . . . 0.0 112.666 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -73.46 -45.78 52.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.344 1.457 . . . . 0.0 112.315 172.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -78.79 43.49 0.5 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.24 1.416 . . . . 0.0 113.468 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.865 1.666 . . . . 0.0 113.443 179.089 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.179 0.514 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -42.91 143.47 0.73 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.805 2.442 . . . . 0.0 112.704 164.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -155.12 171.2 20.17 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -128.94 96.55 4.38 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.842 0.829 . . . . 0.0 112.268 -166.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.524 HG21 ' HE1' ' A' ' 865' ' ' TRP . 0.0 OUTLIER -66.77 -43.26 84.47 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.995 1.718 . . . . 0.0 114.889 -171.433 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 59.08 -29.13 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.135 2.174 . . . . 0.0 116.339 -164.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -73.35 70.57 1.21 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.413 2.285 . . . . 0.0 112.946 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.952 1.701 . . . . 0.0 111.957 172.721 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.766 -0.534 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 35.7 t -154.34 153.52 31.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.177 1.391 . . . . 0.0 111.775 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -58.33 -42.46 86.83 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.198 1.399 . . . . 0.0 111.983 166.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -120.7 -29.88 4.59 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.894 1.677 . . . . 0.0 115.053 -168.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 61.11 169.38 0.1 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 127.26 2.224 . . . . 0.0 116.19 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 69.6 p -63.52 153.93 34.04 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -170.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.15 155.86 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.557 1.543 . . . . 0.0 111.231 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -59.94 -46.41 94.17 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 115.535 0.974 . . . . 0.0 115.535 -169.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 21.1 t -160.79 161.75 32.13 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.022 1.329 . . . . 0.0 112.078 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -81.6 157.53 24.69 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.668 1.187 . . . . 0.0 111.049 164.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -90.38 -88.25 0.18 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.851 0.86 . . . . 0.0 110.31 170.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 11.4 t -161.92 162.08 28.99 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.608 1.163 . . . . 0.0 112.64 171.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 56.51 -43.14 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 131.674 3.989 . . . . 0.0 118.63 174.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 74.0 m -139.26 160.66 39.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.171 1.788 . . . . 0.0 112.575 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -151.24 175.62 12.01 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.043 1.337 . . . . 0.0 111.814 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -97.31 176.61 5.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.09 -1.006 . . . . 0.0 111.625 162.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 9.6 p -146.99 139.21 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.978 1.311 . . . . 0.0 110.599 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -87.68 141.41 28.63 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.477 1.511 . . . . 0.0 110.533 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.08 119.66 15.52 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.055 0.542 . . . . 0.0 111.1 165.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.1 -13.97 62.74 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -91.02 -28.81 17.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.068 1.304 . . . . 0.0 112.864 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 15.4 p -122.39 -98.59 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.837 1.255 . . . . 0.0 111.407 164.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -173.81 -8.66 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.65 2.38 . . . . 0.0 114.996 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.648 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.8 tmmm? -45.35 146.61 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.884 2.074 . . . . 0.0 113.316 178.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 874' ' ' TRP . . . . . 0.453 ' CD2' ' HE2' ' B' ' 4' ' ' MLZ . 78.2 m95 -108.48 147.8 31.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.023 0.929 . . . . 0.0 113.478 -175.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -145.03 139.16 27.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.008 1.323 . . . . 0.0 111.983 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -82.54 126.72 32.6 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.195 1.398 . . . . 0.0 110.118 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 47.0 pt -130.09 158.9 72.67 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.032 2.133 . . . . 0.0 111.136 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -67.54 147.96 77.7 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 121.424 1.416 . . . . 0.0 110.349 162.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.01 -19.69 53.89 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 78.2 p -61.61 -26.36 67.93 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.095 -1.003 . . . . 0.0 112.889 170.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.9 t -84.81 -38.16 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.924 0.89 . . . . 0.0 110.256 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.54 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.93 0.786 . . . . 0.0 112.914 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.91 -23.21 56.23 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.9 1.238 . . . . 0.0 114.274 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.0 t -85.74 -39.81 16.77 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.019 1.328 . . . . 0.0 112.241 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.31 119.18 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.843 1.657 . . . . 0.0 108.693 172.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -80.09 158.12 26.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.526 0.731 . . . . 0.0 111.019 167.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -58.95 -33.64 70.85 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.098 -1.001 . . . . 0.0 112.339 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 78.5 p -81.93 -9.26 59.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.609 1.564 . . . . 0.0 114.298 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 17.1 t -78.56 145.32 34.89 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.339 0.972 . . . . 0.0 112.676 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -93.62 69.96 4.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.703 1.601 . . . . 0.0 111.511 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -71.37 132.15 44.42 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 164.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.2 pt -141.32 163.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.117 0.967 . . . . 0.0 112.43 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.648 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 59.0 m -50.41 -45.87 55.93 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 174.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.35 -26.07 68.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.694 1.133 . . . . 0.0 112.367 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -14.24 54.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.491 1.516 . . . . 0.0 113.434 176.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -54.99 134.64 49.04 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.06 1.344 . . . . 0.0 112.457 -173.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 12.8 m -58.61 -41.24 85.45 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.567 1.147 . . . . 0.0 113.599 172.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -86.02 100.05 11.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 122.018 0.913 . . . . 0.0 111.979 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -60.71 -17.48 48.48 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.095 1.758 . . . . 0.0 113.928 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -64.76 -25.84 68.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.505 1.522 . . . . 0.0 113.284 170.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -132.3 8.75 4.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.33 40.13 0.7 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.144 2.178 . . . . 0.0 115.35 -168.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -147.81 150.1 33.56 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.677 1.591 . . . . 0.0 111.558 169.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 74.3 m -58.22 -21.69 48.96 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.662 1.185 . . . . 0.0 112.065 171.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 45.5 m -84.95 -20.31 30.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.663 1.585 . . . . 0.0 113.27 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.42 169.11 18.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.177 0.991 . . . . 0.0 112.958 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.3 t -91.38 -159.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.422 1.489 . . . . 0.0 112.458 -175.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.27 163.43 38.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.867 2.467 . . . . 0.0 111.218 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.47 -26.04 65.28 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -172.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.5 mmt -144.88 136.19 25.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.36 1.064 . . . . 0.0 111.921 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.66 157.2 21.4 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.649 0.659 . . . . 0.0 111.575 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -60.88 -33.0 72.43 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -164.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.89 -16.77 54.68 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.512 1.525 . . . . 0.0 113.574 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -88.74 -41.66 12.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.074 1.35 . . . . 0.0 111.587 174.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.25 1.4 tp -65.05 -58.51 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 118.743 0.701 . . . . 0.0 111.344 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -55.39 -29.05 57.77 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 120.08 -1.637 . . . . 0.0 114.286 -173.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.42 -31.3 72.33 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.313 1.845 . . . . 0.0 114.753 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -58.88 -34.46 71.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 112.536 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 919' ' ' LEU . . . . . 0.557 ' CD2' ' H ' ' B' ' 5' ' ' GLN . 1.7 mp -96.26 -32.72 12.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.44 1.096 . . . . 0.0 112.218 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.93 4.75 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.255 1.407 . . . . 0.0 113.021 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 18.2 pt -129.86 177.15 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.138 1.775 . . . . 0.0 112.118 -171.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -115.52 173.0 14.49 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.284 1.897 . . . . 0.0 111.665 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -152.68 -179.94 8.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.286 2.634 . . . . 0.0 112.804 -167.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -64.56 -20.83 66.47 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.739 1.616 . . . . 0.0 113.406 168.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 63.09 -63.67 0.12 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 129.501 3.12 . . . . 0.0 113.878 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -164.6 -51.52 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.276 1.83 . . . . 0.0 111.976 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 26.7 t0 54.57 16.43 1.33 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.979 1.712 . . . . 0.0 114.449 -168.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.913 1.685 . . . . 0.0 113.36 177.374 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 116.756 -1.593 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 63.02 132.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 127.547 2.339 . . . . 0.0 112.46 -155.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -158.42 -164.6 1.5 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 169.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.453 ' HE2' ' CD2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.557 ' H ' ' CD2' ' A' ' 919' ' ' LEU . 9.9 pm0 -140.52 45.22 1.83 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -166.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.8 p -58.15 121.21 10.14 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 121.028 -1.045 . . . . 0.0 113.745 -171.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.33 -11.84 59.93 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.392 1.077 . . . . 0.0 113.567 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -74.22 78.05 1.8 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.981 1.712 . . . . 0.0 110.491 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 p90 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.952 1.701 . . . . 0.0 113.318 178.464 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 56.8 p -78.33 173.64 12.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.355 1.062 . . . . 0.0 113.199 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 -65.41 -6.63 10.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.851 1.66 . . . . 0.0 114.898 170.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 67.11 -50.98 0.48 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 129.316 3.047 . . . . 0.0 115.084 -176.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -157.77 156.78 32.18 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.543 1.537 . . . . 0.0 112.093 175.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 44.8 p -150.36 169.42 21.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.12 1.768 . . . . 0.0 112.812 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . 0.31 17.8 m 59.27 163.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 129.804 3.242 . . . . 0.0 116.246 -177.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 110.51 132.53 6.23 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.86 1.695 . . . . 0.0 110.63 -164.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 43.1 m -134.36 162.52 31.98 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.894 1.278 . . . . 0.0 112.981 -165.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -66.16 153.72 41.65 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.678 1.191 . . . . 0.0 113.304 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -149.6 -47.33 0.14 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.741 2.016 . . . . 0.0 111.43 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 1.4 p -143.01 134.5 26.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.696 1.598 . . . . 0.0 114.814 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 51.48 -173.04 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 127.692 2.397 . . . . 0.0 116.839 166.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 54.7 p -51.63 151.82 3.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.154 1.782 . . . . 0.0 113.006 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.06 -179.86 6.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.353 0.661 . . . . 0.0 112.44 -167.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -97.09 177.22 5.66 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.174 -0.954 . . . . 0.0 112.758 167.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.4 p -148.77 140.92 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.959 1.704 . . . . 0.0 110.594 167.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -83.75 143.58 29.91 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.606 1.162 . . . . 0.0 110.956 172.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.2 t -68.57 120.5 14.69 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.199 0.523 . . . . 0.0 109.943 160.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -67.72 -9.99 48.58 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.36 1.464 . . . . 0.0 113.948 172.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -105.18 -27.35 11.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.488 1.115 . . . . 0.0 112.874 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 68.0 m -104.59 -113.21 0.24 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.837 1.655 . . . . 0.0 110.436 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 47.4 p90 179.29 -16.79 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 1 C-N-CA 132.0 4.12 . . . . 0.0 110.435 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 873' ' ' LYS . . . . . 0.489 ' HE3' ' SG ' ' A' ' 893' ' ' CYS . 0.1 OUTLIER -40.45 148.62 0.09 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.057 2.943 . . . . 0.0 112.907 164.828 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -117.9 157.76 26.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.895 1.278 . . . . 0.0 113.305 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -146.27 139.02 25.46 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.96 1.304 . . . . 0.0 111.594 171.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 124.57 27.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.849 1.66 . . . . 0.0 109.453 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 37.0 pt -129.71 156.18 79.23 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.669 2.388 . . . . 0.0 111.467 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.95 151.23 73.64 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 121.501 1.467 . . . . 0.0 111.372 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.19 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.13 -24.79 68.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.276 -0.89 . . . . 0.0 112.684 174.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 86.7 t -89.34 -38.91 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.125 0.97 . . . . 0.0 110.727 172.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.42 -22.21 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.037 0.835 . . . . 0.0 112.744 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.96 -17.94 68.73 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.835 1.207 . . . . 0.0 114.346 172.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -90.94 -39.91 12.0 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.329 1.451 . . . . 0.0 112.409 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.5 118.27 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.278 1.431 . . . . 0.0 109.907 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -92.43 165.96 12.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.725 1.61 . . . . 0.0 112.473 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -54.45 -43.51 71.7 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.286 -0.884 . . . . 0.0 111.833 171.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 35.9 m -82.26 7.3 14.18 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.012 1.725 . . . . 0.0 114.514 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 8.6 t -73.27 -176.45 2.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.542 1.137 . . . . 0.0 113.151 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -138.19 53.85 1.8 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.77 2.028 . . . . 0.0 112.091 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -70.76 128.17 35.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.0 pt -141.08 164.21 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.837 0.855 . . . . 0.0 112.265 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 893' ' ' CYS . . . . . 0.489 ' SG ' ' HE3' ' A' ' 873' ' ' LYS . 13.6 m -48.14 -45.95 33.81 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.906 0.882 . . . . 0.0 112.798 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.25 -13.97 62.48 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.798 -1.189 . . . . 0.0 113.91 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -12.37 28.62 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.746 1.618 . . . . 0.0 113.213 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.92 135.47 48.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.207 1.403 . . . . 0.0 112.732 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 14.6 m -58.05 -41.88 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.835 1.254 . . . . 0.0 113.708 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -85.21 98.59 10.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.204 1.002 . . . . 0.0 111.795 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.84 -18.09 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.551 1.94 . . . . 0.0 113.945 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.29 -24.38 65.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.504 1.522 . . . . 0.0 113.407 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -132.17 14.16 4.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.953 1.301 . . . . 0.0 113.882 -174.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.7 40.09 1.01 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.938 2.095 . . . . 0.0 114.519 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.61 146.59 36.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.127 1.371 . . . . 0.0 110.553 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 75.6 m -61.31 -10.22 6.66 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.358 1.063 . . . . 0.0 112.943 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 34.9 m -93.31 -16.68 24.44 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.171 1.388 . . . . 0.0 113.439 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 906' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 9.0 mmpt? -79.41 177.02 9.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 87.5 p -97.41 -164.97 1.2 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.86 2.864 . . . . 0.0 113.123 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -150.31 167.49 26.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.04 1.736 . . . . 0.0 111.182 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.82 -34.81 68.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -146.81 135.08 21.74 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.548 1.539 . . . . 0.0 111.241 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 5.6 p -65.19 162.01 18.05 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.434 1.015 . . . . 0.0 112.811 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -66.09 -22.66 66.41 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -168.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -77.86 -5.61 51.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.915 1.286 . . . . 0.0 113.947 170.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -108.73 -45.3 3.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.991 1.716 . . . . 0.0 111.231 171.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.561 HG13 ' HZ ' ' B' ' 4' ' ' MLZ 0.272 1.0 OUTLIER -78.85 14.96 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 123.608 1.671 . . . . 0.0 115.23 174.563 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -107.29 -35.77 6.72 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 120.495 -1.378 . . . . 0.0 112.825 156.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.81 -32.65 73.35 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.685 1.594 . . . . 0.0 113.478 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.45 -30.27 68.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.642 0.777 . . . . 0.0 112.563 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.91 -30.78 10.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.706 1.202 . . . . 0.0 112.852 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.8 7.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.279 1.419 . . . . 0.0 113.303 -176.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 50.1 pt -107.59 166.82 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 126.073 1.749 . . . . 0.0 112.818 -172.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -112.18 56.21 0.48 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.994 1.759 . . . . 0.0 114.274 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 167.57 9.48 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 122.165 0.983 . . . . 0.0 112.624 175.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -65.52 -21.81 66.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.345 1.458 . . . . 0.0 114.232 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 62.47 -67.24 0.08 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.521 3.128 . . . . 0.0 113.677 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -75.9 -53.41 8.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.246 1.418 . . . . 0.0 111.573 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 11.6 t0 51.5 18.8 0.72 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.201 1.801 . . . . 0.0 114.755 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.324 1.849 . . . . 0.0 112.377 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 119.871 -0.109 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.02 173.82 7.03 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 163.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.1 t -157.02 -159.79 0.89 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.589 0.756 . . . . 0.0 112.663 169.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.561 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.71 97.47 3.79 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.136 -0.978 . . . . 0.0 113.16 -178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -45.46 77.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -166.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 51.53 27.65 4.02 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.776 1.23 . . . . 0.0 114.309 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -162.66 125.49 2.81 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.278 2.631 . . . . 0.0 107.886 -169.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.214 1.406 . . . . 0.0 113.316 -165.473 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 8.5 t 58.31 -173.12 0.09 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.384 1.474 . . . . 0.0 113.235 -167.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -67.91 -15.59 63.69 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.9 1.68 . . . . 0.0 114.115 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 63.8 151.82 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 128.257 2.623 . . . . 0.0 113.96 -169.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -91.4 158.5 16.48 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.811 1.244 . . . . 0.0 112.523 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 9.3 p -166.31 155.44 11.29 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.0 m -143.74 162.14 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.499 1.92 . . . . 0.0 110.956 170.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -78.75 51.45 3.76 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.019 1.771 . . . . 0.0 115.436 -171.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 48.8 m -65.61 141.57 58.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.843 1.257 . . . . 0.0 112.217 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -148.76 151.58 35.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.34 1.456 . . . . 0.0 112.24 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -152.93 -46.22 0.1 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.327 1.451 . . . . 0.0 113.075 -175.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 15.1 t -136.47 -151.68 0.42 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.215 1.406 . . . . 0.0 112.766 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.56 163.04 1.94 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.756 2.422 . . . . 0.0 114.475 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 43.3 m -33.18 131.33 0.19 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 127.109 2.163 . . . . 0.0 114.175 171.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.741 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -113.83 -172.27 2.05 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.944 0.898 . . . . 0.0 111.973 -160.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -101.41 172.67 6.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.721 0.772 . . . . 0.0 111.908 170.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -146.61 141.81 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.665 1.586 . . . . 0.0 109.691 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.29 148.22 22.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.907 0.883 . . . . 0.0 111.106 175.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.79 124.15 23.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.07 0.462 . . . . 0.0 111.296 164.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.54 -4.67 12.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.405 1.482 . . . . 0.0 113.876 166.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -122.33 -16.31 7.41 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.045 1.293 . . . . 0.0 114.12 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.274 17.0 p -124.73 -110.78 0.31 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.283 1.033 . . . . 0.0 110.992 155.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -169.52 -2.13 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.605 2.362 . . . . 0.0 115.561 -173.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -53.36 153.39 3.99 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.841 1.656 . . . . 0.0 112.507 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -108.64 149.0 29.55 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.362 1.065 . . . . 0.0 113.008 170.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -131.68 133.38 44.82 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.586 1.554 . . . . 0.0 110.63 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -72.31 124.14 24.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.496 1.119 . . . . 0.0 109.781 169.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -132.55 153.35 81.12 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 125.793 1.637 . . . . 0.0 111.581 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 147.03 70.45 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.699 1.599 . . . . 0.0 112.189 171.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.437 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -54.97 -17.97 4.43 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.194 1.398 . . . . 0.0 114.142 175.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.0 m -59.24 -26.28 64.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.345 1.458 . . . . 0.0 113.282 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -27.12 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 882' ' ' VAL . . . . . 0.741 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.6 m -59.53 -29.88 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.891 0.769 . . . . 0.0 112.573 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -84.07 1.85 88.31 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.183 1.849 . . . . 0.0 115.005 173.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 27.6 t -123.96 -25.3 4.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.584 1.954 . . . . 0.0 113.132 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.26 126.97 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 121.263 -0.898 . . . . 0.0 109.152 166.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -143.61 171.08 14.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.355 2.662 . . . . 0.0 109.357 175.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.1 -18.3 63.25 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 120.301 1.41 . . . . 0.0 114.062 172.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 34.1 t -64.91 -25.93 68.09 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.102 -0.999 . . . . 0.0 112.312 167.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 22.8 t -95.78 169.57 9.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.968 2.107 . . . . 0.0 110.995 162.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -140.01 109.24 6.12 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.913 -1.117 . . . . 0.0 109.229 159.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -83.28 134.34 34.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.903 1.681 . . . . 0.0 110.184 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -139.85 162.79 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.054 -1.029 . . . . 0.0 113.071 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.8 m -50.23 -42.1 51.11 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.322 1.049 . . . . 0.0 113.554 174.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 46.5 tpp -67.62 -22.26 65.35 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.122 1.328 . . . . 0.0 113.022 -177.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -13.15 49.93 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.467 1.507 . . . . 0.0 113.229 174.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.2 134.36 49.63 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.976 1.311 . . . . 0.0 112.908 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 49.3 m -56.59 -42.69 79.13 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.415 1.486 . . . . 0.0 113.74 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.54 98.51 10.17 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.037 0.935 . . . . 0.0 111.904 -173.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.55 -19.68 50.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.891 1.676 . . . . 0.0 113.696 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -65.67 -25.92 67.56 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.876 1.671 . . . . 0.0 113.527 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.05 5.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -172.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -79.7 40.69 0.46 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.59 2.756 . . . . 0.0 115.006 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -145.71 151.47 38.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.986 0.914 . . . . 0.0 110.685 163.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.2 -14.18 3.9 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 124.336 1.054 . . . . 0.0 112.099 165.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 48.8 m -94.75 -19.44 20.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.206 1.402 . . . . 0.0 113.036 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.71 175.88 8.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.703 0.801 . . . . 0.0 113.103 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 97.0 p -82.93 -168.03 1.9 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.567 2.347 . . . . 0.0 113.935 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -153.22 164.0 38.87 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.688 2.795 . . . . 0.0 109.247 169.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -68.35 -30.18 69.08 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.71 -1.244 . . . . 0.0 113.76 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.3 mtt -144.88 125.85 14.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.841 0.856 . . . . 0.0 110.97 175.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -62.5 159.99 14.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.59 -29.78 64.76 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -165.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.49 -3.91 59.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.264 1.826 . . . . 0.0 115.04 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -103.67 -37.13 7.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.02 1.728 . . . . 0.0 113.014 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 915' ' ' ILE . . . . . 0.712 HG13 HCM2 ' B' ' 4' ' ' MLZ . 1.5 tp -63.72 -55.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.956 1.253 . . . . 0.0 110.638 174.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -53.95 -29.82 44.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.938 -1.101 . . . . 0.0 113.486 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.23 -34.81 78.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.884 1.674 . . . . 0.0 114.258 171.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -65.77 -37.14 85.51 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.001 0.819 . . . . 0.0 112.125 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.3 -28.86 47.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.102 0.961 . . . . 0.0 112.361 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.33 36.9 6.82 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.66 1.6 . . . . 0.0 113.547 178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 27.9 pt -136.43 171.35 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.201 1.8 . . . . 0.0 112.407 -168.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -90.77 -32.83 8.82 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.324 0.964 . . . . 0.0 114.748 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 65.53 157.88 0.1 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.37 2.268 . . . . 0.0 115.829 -162.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.09 -36.43 83.17 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 113.791 -1.55 . . . . 0.0 113.179 -170.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -69.25 -33.91 73.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.465 0.706 . . . . 0.0 112.42 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -78.38 -42.13 31.2 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.863 1.265 . . . . 0.0 112.605 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -77.28 6.81 6.06 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.215 1.806 . . . . 0.0 113.804 179.118 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.765 -0.087 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -40.3 133.53 1.81 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.097 2.159 . . . . 0.0 111.846 175.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t -153.72 -171.18 3.81 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' MLZ . . . . . 0.712 HCM2 HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -139.26 111.25 7.33 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.261 1.024 . . . . 0.0 112.467 -173.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -63.69 131.83 49.16 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.464 1.106 . . . . 0.0 111.647 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.81 7.13 7.54 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.721 1.208 . . . . 0.0 113.618 172.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -151.41 118.64 5.94 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 127.076 2.15 . . . . 0.0 109.96 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 30.3 t80 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.744 -1.122 . . . . 0.0 112.101 174.252 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -120.59 -178.57 3.74 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.592 1.557 . . . . 0.0 112.807 -160.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . 0.422 ' CZ2' ' HD3' ' A' ' 876' ' ' ARG . 71.1 m95 -102.67 173.03 6.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.503 0.668 . . . . 0.0 111.472 160.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.98 143.15 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.293 1.437 . . . . 0.0 110.415 164.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.48 144.51 25.49 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.345 1.458 . . . . 0.0 110.887 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.99 125.61 27.33 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.15 0.5 . . . . 0.0 111.045 162.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -82.32 1.49 36.74 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 168.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -103.01 -28.67 11.86 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.178 -0.951 . . . . 0.0 112.519 174.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.262 16.5 p -121.46 -110.15 0.34 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.269 1.428 . . . . 0.0 110.632 159.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.61 -6.2 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.337 2.255 . . . . 0.0 115.888 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.598 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.1 tmmm? -47.91 149.92 1.24 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.957 2.103 . . . . 0.0 112.541 171.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -112.21 153.8 26.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.023 0.929 . . . . 0.0 113.374 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.98 138.6 30.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.961 1.304 . . . . 0.0 110.759 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . 0.422 ' HD3' ' CZ2' ' A' ' 865' ' ' TRP . 8.1 tpt180 -77.92 128.83 34.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.562 1.145 . . . . 0.0 109.751 174.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.54 155.1 81.9 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 125.494 1.518 . . . . 0.0 111.998 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -67.25 149.76 81.44 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 121.416 1.411 . . . . 0.0 110.68 164.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.01 46.62 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.1 m -62.46 -25.47 68.0 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.092 -1.005 . . . . 0.0 112.688 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.8 t -86.45 -38.8 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.829 0.852 . . . . 0.0 110.631 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -20.41 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.9 0.773 . . . . 0.0 112.753 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.12 -18.32 65.17 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.897 1.236 . . . . 0.0 114.269 170.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -89.57 -41.69 11.85 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 112.082 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.543 0.675 0 C-N-CA 125.556 1.543 . . . . 0.0 109.043 175.238 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 121.603 0.716 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -82.35 131.72 35.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.149 174.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.9 pt -140.98 162.91 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.168 0.987 . . . . 0.0 112.09 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.598 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.8 m -50.18 -45.69 53.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -62.59 -26.0 68.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.755 1.161 . . . . 0.0 112.442 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -13.44 52.5 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.643 1.577 . . . . 0.0 113.49 176.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -54.58 137.95 42.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.009 1.324 . . . . 0.0 112.881 -172.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 68.7 m -55.36 -44.39 75.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.252 1.421 . . . . 0.0 113.83 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -91.02 102.66 15.43 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.536 1.134 . . . . 0.0 112.079 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -59.99 -19.31 51.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.944 1.698 . . . . 0.0 113.86 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -67.19 -24.03 65.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.725 1.61 . . . . 0.0 113.033 172.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -127.68 3.44 6.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.23 41.14 0.59 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.043 2.537 . . . . 0.0 114.94 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.55 150.96 33.07 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.103 1.361 . . . . 0.0 111.83 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.7 m -57.02 -21.52 31.6 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.674 1.59 . . . . 0.0 112.283 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 59.9 m -89.65 -17.55 28.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.381 1.472 . . . . 0.0 113.481 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.0 170.75 16.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.747 0.819 . . . . 0.0 113.098 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -83.31 -163.12 0.7 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.31 1.444 . . . . 0.0 112.457 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -149.25 166.26 29.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.256 1.823 . . . . 0.0 112.459 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -67.21 -30.14 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -153.94 130.65 10.78 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.744 1.618 . . . . 0.0 110.163 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -63.69 155.75 29.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.509 0.723 . . . . 0.0 111.318 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -59.33 -34.0 71.82 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -163.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -80.41 -11.6 59.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.439 1.496 . . . . 0.0 114.265 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -93.02 -44.57 8.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.588 1.555 . . . . 0.0 111.113 172.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.5 tp -65.4 -53.53 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.441 0.564 . . . . 0.0 111.742 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -56.03 -29.74 60.87 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 120.359 -1.463 . . . . 0.0 113.41 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -70.5 -35.3 73.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.264 1.826 . . . . 0.0 114.321 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.87 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.484 1.113 . . . . 0.0 112.361 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.93 -34.78 51.12 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.815 0.846 . . . . 0.0 112.097 171.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.07 5.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.639 1.59 . . . . 0.0 113.168 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.1 pt . . . . . 0 N--CA 1.477 0.916 0 C-N-CA 125.565 1.546 . . . . 0.0 113.488 -166.489 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 . . . . . 0 CA--C 1.535 0.403 0 CA-C-O 122.392 1.092 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 C-N-CA 126.965 2.106 . . . . 0.0 114.415 -170.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 CA--C 1.534 0.362 0 CA-C-O 120.888 0.375 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -147.17 178.91 8.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.556 1.142 . . . . 0.0 111.053 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -97.08 175.38 6.33 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.9 -1.125 . . . . 0.0 114.014 170.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.3 p -151.45 143.19 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 127.068 2.147 . . . . 0.0 110.03 168.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -93.13 137.26 32.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.24 1.016 . . . . 0.0 111.526 171.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 123.35 19.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.963 0.905 . . . . 0.0 111.643 170.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.65 -16.42 60.93 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.076 1.351 . . . . 0.0 114.116 171.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -101.55 -15.77 16.99 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.719 1.145 . . . . 0.0 113.518 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.32 -106.39 0.37 Allowed 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.941 1.696 . . . . 0.0 111.535 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 52.3 p90 169.46 -18.88 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.983 1 C-N-CA 133.322 4.649 . . . . 0.0 108.967 -167.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.462 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -37.71 137.05 0.49 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.707 2.803 . . . . 0.0 111.825 167.501 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -103.11 155.27 18.52 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.461 1.104 . . . . 0.0 111.398 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -146.28 133.94 21.06 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.152 0.981 . . . . 0.0 110.88 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -84.95 108.78 17.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.393 1.477 . . . . 0.0 109.186 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 45.0 pt -110.94 156.04 41.45 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 128.287 2.635 . . . . 0.0 110.943 -174.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.97 147.58 80.44 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 121.186 1.257 . . . . 0.0 110.939 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.35 -21.78 16.68 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.2 m -62.61 -24.99 67.86 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.203 -0.936 . . . . 0.0 112.606 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.29 -38.37 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.172 0.989 . . . . 0.0 110.864 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -23.35 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.02 0.827 . . . . 0.0 112.586 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -80.35 -19.85 68.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.599 1.095 . . . . 0.0 114.292 172.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.8 t -88.33 -41.48 12.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 125.401 1.48 . . . . 0.0 110.496 179.781 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 121.87 0.843 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -72.28 130.53 41.0 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.935 0.894 . . . . 0.0 110.024 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.8 pt -140.35 163.71 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.846 0.858 . . . . 0.0 112.762 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.462 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 17.9 m -48.53 -44.01 35.91 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.022 0.929 . . . . 0.0 113.176 175.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.72 -24.59 67.75 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.941 1.246 . . . . 0.0 113.098 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -11.22 46.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.569 1.548 . . . . 0.0 113.506 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -53.55 137.18 37.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.168 1.387 . . . . 0.0 113.031 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.6 m -55.59 -44.86 77.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.082 1.353 . . . . 0.0 113.834 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.95 102.26 14.96 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.877 1.271 . . . . 0.0 112.086 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -60.74 -17.47 48.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.069 1.748 . . . . 0.0 114.006 -174.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.21 -23.25 66.4 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.555 1.542 . . . . 0.0 113.649 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -131.09 7.08 4.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 114.746 -173.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -86.56 42.01 0.98 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.109 2.163 . . . . 0.0 114.193 -167.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.13 146.21 36.74 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.942 1.297 . . . . 0.0 110.701 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.42 -16.55 37.01 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.299 1.04 . . . . 0.0 112.349 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.6 m -92.24 -16.72 25.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.441 1.497 . . . . 0.0 113.75 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 4.8 mmpt? -78.7 171.44 15.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 122.787 1.279 . . . . 0.0 113.862 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 98.2 p -78.88 -165.26 0.71 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 128.508 2.723 . . . . 0.0 112.571 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -147.16 173.46 12.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.802 1.641 . . . . 0.0 112.23 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -29.28 70.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.591 1.156 . . . . 0.0 113.228 -174.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 59.0 mtt -158.98 136.31 9.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.149 2.179 . . . . 0.0 110.091 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.4 m -62.2 154.75 26.47 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.109 1.322 . . . . 0.0 111.158 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -56.77 -35.69 68.96 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.627 -0.67 . . . . 0.0 112.652 -169.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.23 -11.27 59.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.278 1.431 . . . . 0.0 114.074 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -99.55 -37.97 8.95 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.711 1.605 . . . . 0.0 112.321 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -56.23 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 119.154 0.888 . . . . 0.0 111.416 173.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -51.4 -32.14 25.18 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 119.88 1.218 . . . . 0.0 113.671 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.29 -37.95 78.97 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.195 2.198 . . . . 0.0 114.355 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.37 -40.71 98.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.259 1.424 . . . . 0.0 112.72 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 919' ' ' LEU . 1.6 mp -85.96 -24.43 26.52 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.543 0.737 . . . . 0.0 111.984 174.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.52 40.57 4.42 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.361 1.457 . . . . 0.0 113.184 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 126.34 1.856 . . . . 0.0 111.972 -172.19 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.477 0.914 0 C-N-CA 124.426 1.091 . . . . 0.0 112.88 -179.569 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 121.578 0.704 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -128.49 -174.13 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.909 1.284 . . . . 0.0 111.45 -152.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -104.94 172.58 6.71 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 169.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.8 p -147.55 144.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.503 1.921 . . . . 0.0 110.263 168.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -87.03 139.3 30.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.036 0.934 . . . . 0.0 110.816 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.46 126.01 29.22 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.344 0.657 . . . . 0.0 111.439 170.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -64.22 -29.62 70.71 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -85.23 -51.44 6.61 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.887 0.875 . . . . 0.0 111.185 -170.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.297 17.0 p -92.26 -104.09 0.11 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.328 0.651 . . . . 0.0 110.578 165.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . 0.4 ' H ' ' H ' ' A' ' 873' ' ' LYS . 38.7 p90 -177.12 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.563 2.745 . . . . 0.0 114.243 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.4 ' H ' ' H ' ' A' ' 872' ' ' PHE . 17.7 ttpt -45.73 150.53 0.51 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.135 2.174 . . . . 0.0 113.651 176.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -95.1 148.58 22.21 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.277 0.631 . . . . 0.0 111.972 168.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -139.79 135.16 32.76 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 111.104 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -76.72 131.79 38.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.7 pt -136.17 157.91 74.71 Favored Pre-proline 0 N--CA 1.473 0.684 0 C-N-CA 127.01 2.124 . . . . 0.0 111.62 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -66.69 148.8 83.57 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 121.452 1.435 . . . . 0.0 111.164 165.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.17 -20.85 57.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.43 -25.2 68.17 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.266 -0.896 . . . . 0.0 112.689 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.99 -37.3 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.703 0.801 . . . . 0.0 110.479 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -17.99 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.134 0.879 . . . . 0.0 113.125 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.99 -19.69 62.54 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.552 1.072 . . . . 0.0 114.101 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -87.96 -45.55 10.13 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.006 1.323 . . . . 0.0 112.219 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.473 0.693 0 C-N-CA 125.428 1.491 . . . . 0.0 108.61 178.673 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -143.8 134.72 25.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.748 2.019 . . . . 0.0 112.699 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 23.5 pt -141.09 162.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.598 1.159 . . . . 0.0 112.515 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 65.4 m -49.09 -43.76 41.51 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.003 0.921 . . . . 0.0 113.479 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.9 tpp -62.13 -25.25 67.63 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.349 1.431 . . . . 0.0 112.827 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -11.28 50.01 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.769 1.628 . . . . 0.0 113.747 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -52.69 135.44 35.05 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.487 1.515 . . . . 0.0 112.982 -173.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 50.9 m -52.79 -43.4 65.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.11 1.764 . . . . 0.0 114.091 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.93 105.56 17.91 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.112 0.965 . . . . 0.0 112.35 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -59.94 -16.11 27.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.298 1.839 . . . . 0.0 113.382 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.45 67.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.643 1.977 . . . . 0.0 112.542 171.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -139.78 21.17 2.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.39 1.476 . . . . 0.0 113.496 -173.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.56 41.01 1.04 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.886 1.674 . . . . 0.0 114.261 -172.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -147.13 146.75 30.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.791 1.636 . . . . 0.0 110.607 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 70.8 m -56.67 -26.02 55.35 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 121.574 -0.704 . . . . 0.0 111.62 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.6 m -83.66 -19.39 35.46 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.948 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -72.92 176.3 5.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.377 1.071 . . . . 0.0 113.303 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 10.0 t -80.52 -162.09 0.43 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.726 1.21 . . . . 0.0 112.023 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -150.57 163.74 37.72 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.438 1.895 . . . . 0.0 111.241 173.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.29 -31.16 72.24 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.8 mtt -154.3 131.68 11.23 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.757 1.623 . . . . 0.0 110.377 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.17 159.21 15.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 0.0 111.178 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.08 -29.53 70.66 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.037 -1.04 . . . . 0.0 112.289 -169.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -74.92 -7.36 53.33 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.379 1.472 . . . . 0.0 114.382 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -105.32 -43.63 4.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 111.025 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.38 7.7 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 120.01 -1.681 . . . . 0.0 112.918 156.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.98 -34.14 77.42 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.192 1.397 . . . . 0.0 113.867 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -63.23 -33.0 74.55 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.44 -27.68 15.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.049 0.94 . . . . 0.0 112.285 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 92.94 31.92 8.27 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.107 1.337 . . . . 0.0 113.107 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 48.8 pt . . . . . 0 N--CA 1.471 0.596 0 C-N-CA 126.369 1.867 . . . . 0.0 112.062 -175.153 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 125.24 1.416 . . . . 0.0 112.588 -179.637 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 82.2 p . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 122.543 1.163 . . . . 0.0 113.805 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.44 -175.93 3.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.198 1.399 . . . . 0.0 111.128 -165.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -105.61 176.67 5.09 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.49 -0.756 . . . . 0.0 112.599 171.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.86 140.04 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 110.746 165.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 16.8 ttt85 -93.02 140.17 29.76 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.895 1.278 . . . . 0.0 110.231 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.8 t -68.42 128.37 36.35 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.908 0.883 . . . . 0.0 112.981 172.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.1 -13.91 62.42 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 169.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -99.54 -27.2 13.82 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.59 1.086 . . . . 0.0 112.793 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 16.6 p -123.74 -103.2 0.38 Allowed 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 124.819 1.248 . . . . 0.0 111.867 165.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -175.08 -11.13 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.195 2.598 . . . . 0.0 114.509 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.551 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 1.8 tmmm? -48.1 146.94 2.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.854 2.062 . . . . 0.0 112.85 175.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 867' ' ' ARG . 89.5 m95 -102.59 151.14 22.68 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.057 0.943 . . . . 0.0 113.232 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.58 135.38 28.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.997 1.319 . . . . 0.0 110.58 174.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -76.52 127.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.833 1.253 . . . . 0.0 109.639 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 36.6 pt -131.04 153.96 81.9 Favored Pre-proline 0 N--CA 1.471 0.622 0 C-N-CA 125.971 1.708 . . . . 0.0 111.667 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -67.88 150.81 78.59 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.231 1.287 . . . . 0.0 110.533 165.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.89 -22.78 27.52 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -60.58 -28.8 68.76 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.742 1.217 . . . . 0.0 112.563 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 89.3 t -86.63 -38.46 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -19.47 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.115 0.871 . . . . 0.0 112.887 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.12 -23.26 38.48 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 125.13 1.348 . . . . 0.0 114.436 169.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.7 t -80.74 -37.87 29.73 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.786 1.235 . . . . 0.0 112.174 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 125.733 1.613 . . . . 0.0 107.486 169.601 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.973 0.416 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -77.51 132.39 38.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.426 0.691 . . . . 0.0 109.672 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.7 pt -139.68 162.1 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.844 0.857 . . . . 0.0 112.852 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.551 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.5 m -49.88 -41.88 46.51 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.489 1.116 . . . . 0.0 113.964 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.01 -31.52 70.01 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.918 1.236 . . . . 0.0 112.214 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -11.37 57.12 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.922 1.689 . . . . 0.0 113.382 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -53.31 138.0 33.58 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.201 1.4 . . . . 0.0 113.011 -172.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -53.13 -43.65 67.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.263 1.425 . . . . 0.0 114.172 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.37 103.99 15.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.983 1.313 . . . . 0.0 111.692 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.74 -20.94 59.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.653 1.581 . . . . 0.0 113.611 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -67.2 -23.76 65.78 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.882 1.673 . . . . 0.0 114.018 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -124.85 5.29 8.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.321 1.448 . . . . 0.0 114.359 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.95 41.37 0.74 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.785 2.434 . . . . 0.0 114.706 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.11 152.89 36.93 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.217 1.007 . . . . 0.0 111.895 164.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 65.3 m -56.41 -19.02 13.0 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.284 1.833 . . . . 0.0 112.274 171.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.9 m -89.32 -20.45 24.03 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.716 1.606 . . . . 0.0 112.383 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -80.93 173.5 12.55 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.392 1.091 . . . . 0.0 113.426 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 90.5 p -82.48 -166.67 1.34 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.582 2.353 . . . . 0.0 113.339 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -149.01 166.18 29.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.827 2.051 . . . . 0.0 110.932 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.37 -33.62 76.28 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 25.0 mmt -150.37 131.94 14.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.92 1.688 . . . . 0.0 111.169 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.2 m -62.2 160.93 12.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.106 0.963 . . . . 0.0 111.381 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -22.89 63.21 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.76 -1.212 . . . . 0.0 112.37 -167.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.45 -19.19 62.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.079 1.351 . . . . 0.0 113.483 168.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -97.41 -45.06 6.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.254 1.421 . . . . 0.0 111.72 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.287 1.4 tp -79.2 15.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.699 1.741 . . . . 0.0 115.699 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.9 p30 -106.43 -34.99 7.24 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.513 -1.367 . . . . 0.0 112.916 154.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -68.24 -32.59 72.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.455 . . . . 0.0 113.956 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -61.12 -30.26 70.27 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.945 0.898 . . . . 0.0 112.506 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.55 -33.72 10.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.358 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.74 40.38 4.41 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.137 1.351 . . . . 0.0 112.862 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 45.2 pt . . . . . 0 N--CA 1.474 0.763 0 C-N-CA 126.264 1.826 . . . . 0.0 112.265 -174.323 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.619 0.723 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.451 1.5 . . . . 0.0 114.472 -170.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -142.84 176.95 8.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.992 0.917 . . . . 0.0 112.671 -159.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . 0.418 ' HE1' ' HG1' ' B' ' 6' ' ' THR . 72.6 m95 -88.2 170.41 11.05 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.766 -1.209 . . . . 0.0 113.713 175.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.22 142.64 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 109.39 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -89.66 142.2 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.227 1.411 . . . . 0.0 111.534 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 53.3 t -67.1 122.78 18.56 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.254 0.622 . . . . 0.0 111.512 165.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.52 -11.88 61.09 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -97.74 -28.21 13.99 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.426 1.012 . . . . 0.0 113.023 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.296 12.1 p -127.53 -96.76 0.41 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.645 1.178 . . . . 0.0 112.129 170.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -165.84 -17.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.141 2.176 . . . . 0.0 114.133 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.13 134.32 0.82 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.047 2.139 . . . . 0.0 113.383 -175.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -102.74 147.69 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.677 0.791 . . . . 0.0 111.247 -176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -144.67 137.2 26.45 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.44 1.496 . . . . 0.0 110.335 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.69 119.36 25.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.4 1.08 . . . . 0.0 109.592 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.1 pt -121.34 158.15 54.12 Favored Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 127.692 2.397 . . . . 0.0 110.554 -173.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.22 147.66 73.03 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 120.863 1.042 . . . . 0.0 111.819 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -48.94 -30.99 6.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.988 1.715 . . . . 0.0 114.644 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.6 m -58.23 -27.59 64.08 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.07 1.348 . . . . 0.0 112.844 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 6.2 t -97.73 -30.72 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.308 -0.854 . . . . 0.0 111.933 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -26.22 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 120.19 1.359 . . . . 0.0 112.594 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.59 -15.91 69.78 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 124.49 1.043 . . . . 0.0 114.979 170.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 31.1 t -90.0 -38.22 13.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.491 1.516 . . . . 0.0 112.303 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.468 0.436 0 C-N-CA 125.381 1.472 . . . . 0.0 110.055 166.324 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -88.36 128.8 35.51 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.9 163.48 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.974 0.91 . . . . 0.0 111.934 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 60.0 m -49.26 -45.24 44.53 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -20.6 66.57 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.774 1.17 . . . . 0.0 112.954 -175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -12.37 42.74 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.016 1.726 . . . . 0.0 113.28 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.92 133.27 43.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.845 1.258 . . . . 0.0 112.485 -173.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 5.7 m -58.1 -38.75 77.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 113.279 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -87.83 96.16 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.297 1.046 . . . . 0.0 110.987 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.51 -16.61 38.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.393 1.877 . . . . 0.0 113.865 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -67.98 -23.7 65.06 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.393 1.877 . . . . 0.0 113.407 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.84 14.7 4.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.339 1.456 . . . . 0.0 113.14 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.47 38.44 0.9 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.489 1.916 . . . . 0.0 114.251 -167.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.34 147.6 33.67 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.42 1.488 . . . . 0.0 110.415 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.5 -18.28 27.81 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 124.46 1.104 . . . . 0.0 112.349 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 23.8 m -88.75 -22.03 23.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.934 1.694 . . . . 0.0 112.971 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -77.65 173.15 12.36 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.618 1.199 . . . . 0.0 113.421 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 95.6 p -83.25 -169.5 2.57 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.227 2.611 . . . . 0.0 112.813 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -147.44 170.09 18.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.422 1.889 . . . . 0.0 111.191 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -33.84 64.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.416 1.086 . . . . 0.0 113.668 -176.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.6 mtt -152.6 135.86 15.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.246 1.419 . . . . 0.0 111.174 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.7 m -61.31 155.12 22.02 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.256 0.934 . . . . 0.0 110.677 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.82 -36.75 72.68 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.857 0.463 . . . . 0.0 112.126 -161.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.34 -12.6 59.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.876 1.671 . . . . 0.0 114.485 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -90.73 -39.76 12.24 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.477 1.111 . . . . 0.0 111.888 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.254 1.9 tp -69.19 -55.14 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.19 0.904 . . . . 0.0 111.779 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -55.6 -28.13 53.37 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.036 -1.665 . . . . 0.0 114.041 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -63.6 -34.27 77.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.065 1.746 . . . . 0.0 114.422 169.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.98 -37.33 85.68 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.306 1.443 . . . . 0.0 112.286 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.14 -28.55 54.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.508 1.123 . . . . 0.0 112.77 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.14 35.31 7.65 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.913 1.72 . . . . 0.0 114.555 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 N--CA 1.479 1.014 0 C-N-CA 127.288 2.235 . . . . 0.0 111.295 -169.511 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.418 ' HG1' ' HE1' ' A' ' 865' ' ' TRP . 9.5 m . . . . . 0 N--CA 1.488 1.431 0 C-N-CA 128.778 2.831 . . . . 0.0 117.253 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 121.714 0.769 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.633 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -140.92 -175.55 4.35 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.316 0.646 . . . . 0.0 112.002 -162.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -97.72 174.7 6.48 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.94 148.66 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.958 2.103 . . . . 0.0 109.671 168.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 22.8 ttt85 -105.26 127.51 52.98 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.252 1.421 . . . . 0.0 110.363 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -62.32 128.15 34.69 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.947 0.899 . . . . 0.0 112.496 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.91 -18.97 62.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -92.67 -20.28 20.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.74 1.216 . . . . 0.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 64.3 m -119.31 -105.64 0.39 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.961 1.705 . . . . 0.0 110.879 174.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.1 p90 168.03 -15.58 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 1 C-N-CA 133.665 4.786 . . . . 0.0 109.024 -171.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.45 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -34.62 136.03 0.16 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.889 2.876 . . . . 0.0 112.134 167.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . 0.423 ' CZ3' ' HB2' ' A' ' 867' ' ' ARG . 89.1 m95 -95.75 148.2 22.82 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.709 0.803 . . . . 0.0 111.692 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -146.41 129.05 16.12 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.796 0.838 . . . . 0.0 112.352 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 120.62 18.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.219 2.207 . . . . 0.0 109.335 168.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.6 157.87 76.34 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.355 2.262 . . . . 0.0 111.311 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -72.12 146.79 47.13 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 121.789 1.659 . . . . 0.0 112.341 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.487 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -56.41 -21.78 27.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 72.0 p -58.61 -24.91 62.0 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.183 -0.948 . . . . 0.0 112.799 170.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.4 t -96.92 -35.31 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.487 1.515 . . . . 0.0 111.769 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . 0.633 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.3 m -61.66 -29.08 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.203 -0.935 . . . . 0.0 112.478 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -79.99 -15.34 79.18 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.217 1.389 . . . . 0.0 114.537 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 17.9 t -94.54 -34.83 12.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.375 1.47 . . . . 0.0 112.708 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 110.568 -179.224 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 121.88 0.847 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -74.91 130.55 39.6 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 110.392 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.0 pt -139.25 162.78 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.509 0.724 . . . . 0.0 112.776 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.45 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 18.5 m -49.13 -44.36 42.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.77 0.828 . . . . 0.0 112.829 174.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 67.6 mtm -66.57 -11.44 53.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.914 1.233 . . . . 0.0 114.115 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -9.37 23.31 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.022 1.729 . . . . 0.0 113.37 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.78 136.49 33.59 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.944 1.698 . . . . 0.0 113.204 -173.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 21.6 m -54.76 -44.97 74.11 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.21 1.404 . . . . 0.0 113.941 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -92.13 104.94 17.27 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.257 1.027 . . . . 0.0 112.289 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.13 -14.67 39.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.921 2.088 . . . . 0.0 114.082 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -63.98 -27.12 68.91 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.233 1.413 . . . . 0.0 112.624 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -135.88 18.93 3.25 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.465 1.106 . . . . 0.0 113.464 -171.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -93.81 42.96 1.1 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.494 1.917 . . . . 0.0 114.775 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -144.09 149.27 36.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.69 1.196 . . . . 0.0 110.121 164.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.69 -10.68 9.13 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.204 1.001 . . . . 0.0 112.549 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 41.1 m -91.97 -21.21 20.66 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.374 1.47 . . . . 0.0 113.154 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -77.25 171.7 14.43 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.254 1.022 . . . . 0.0 113.319 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 11.6 t -94.79 -154.11 0.41 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.039 1.735 . . . . 0.0 111.324 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.99 164.22 35.23 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.123 2.169 . . . . 0.0 111.076 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -66.4 -25.47 66.78 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -147.41 131.48 17.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.698 1.199 . . . . 0.0 110.695 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.2 m -62.79 160.12 15.1 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.975 0.807 . . . . 0.0 111.36 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -56.56 -36.17 68.98 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.325 -0.859 . . . . 0.0 112.565 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -80.1 1.11 29.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.315 1.846 . . . . 0.0 114.595 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -112.92 -38.75 4.43 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.002 2.121 . . . . 0.0 111.629 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.6 tp -67.86 -53.91 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.721 0.691 . . . . 0.0 111.151 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -52.45 -29.45 24.64 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 120.59 -1.319 . . . . 0.0 114.009 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -64.64 -32.65 74.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.287 2.235 . . . . 0.0 114.504 171.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -64.91 -42.34 94.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.981 1.313 . . . . 0.0 111.826 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.8 mp -82.78 -32.33 27.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.686 0.795 . . . . 0.0 112.111 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.47 44.95 4.48 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.383 1.468 . . . . 0.0 112.843 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 N--CA 1.474 0.775 0 C-N-CA 125.974 1.71 . . . . 0.0 112.814 -171.03 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 121.133 0.492 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 124.304 1.042 . . . . 0.0 111.641 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -137.74 173.62 11.45 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.667 1.187 . . . . 0.0 110.675 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -88.49 175.5 7.56 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.672 -1.267 . . . . 0.0 112.821 169.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -149.39 144.65 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.669 1.987 . . . . 0.0 110.539 165.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.61 142.78 28.85 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.731 1.212 . . . . 0.0 111.726 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.5 122.33 21.12 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.967 0.413 . . . . 0.0 110.021 158.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.51 -21.98 64.55 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -84.36 -44.42 13.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.899 0.88 . . . . 0.0 110.539 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 65.8 m -86.8 -112.26 0.05 Allowed 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 125.345 1.458 . . . . 0.0 110.796 169.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 15.3 p90 172.9 -12.19 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.035 1 C-N-CA 132.488 4.315 . . . . 0.0 110.485 -174.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.448 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 10.7 ttpt -40.57 150.77 0.06 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.301 2.641 . . . . 0.0 113.582 165.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -110.99 152.93 26.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 112.695 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -141.07 138.05 33.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.77 1.628 . . . . 0.0 110.44 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -79.24 128.66 33.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.81 1.244 . . . . 0.0 110.26 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 40.0 pt -134.35 160.26 69.16 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.729 2.011 . . . . 0.0 112.05 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -69.51 149.43 68.45 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 121.617 1.545 . . . . 0.0 111.824 165.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -52.45 -27.23 15.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.211 1.404 . . . . 0.0 114.517 173.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.7 m -60.27 -27.33 67.17 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.933 1.293 . . . . 0.0 112.477 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.26 -38.51 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.478 1.111 . . . . 0.0 110.904 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -22.03 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.109 0.868 . . . . 0.0 112.833 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.29 -19.36 64.72 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.822 1.201 . . . . 0.0 114.25 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.3 t -88.24 -42.56 12.19 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.994 1.317 . . . . 0.0 112.14 175.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 125.442 1.497 . . . . 0.0 110.941 178.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -84.72 132.48 34.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.274 0.629 . . . . 0.0 110.222 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -143.78 166.62 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.78 0.832 . . . . 0.0 112.479 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.448 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 34.4 m -48.32 -42.46 31.27 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.246 -0.909 . . . . 0.0 113.377 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.29 -24.13 66.19 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.646 1.112 . . . . 0.0 113.227 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 4.11 45.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -57.76 142.8 44.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.406 1.482 . . . . 0.0 112.73 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 70.8 m -57.85 -45.67 85.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.513 1.525 . . . . 0.0 113.94 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.42 106.41 18.48 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.818 1.247 . . . . 0.0 111.846 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.91 -23.06 60.81 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.404 1.482 . . . . 0.0 113.419 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -65.79 -22.19 66.55 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.99 1.716 . . . . 0.0 114.184 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -129.63 10.85 5.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.686 1.595 . . . . 0.0 114.026 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.22 41.37 1.03 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.361 1.864 . . . . 0.0 114.346 -170.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -142.7 146.78 34.72 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.056 1.342 . . . . 0.0 110.975 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.33 -21.51 59.88 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.55 0.74 . . . . 0.0 111.961 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.1 m -86.38 -18.37 32.0 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.475 1.51 . . . . 0.0 113.929 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 5.0 mmpt? -76.67 174.7 10.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.683 1.193 . . . . 0.0 113.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.0 t -90.93 -158.76 0.57 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.214 1.406 . . . . 0.0 112.356 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -150.99 168.52 24.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.889 2.476 . . . . 0.0 110.365 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.9 -36.88 85.79 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.036 -1.04 . . . . 0.0 112.718 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 23.6 mmt -150.03 129.84 13.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.792 1.637 . . . . 0.0 110.421 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.7 p -60.9 160.46 9.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.214 1.006 . . . . 0.0 112.628 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -61.59 -23.42 66.0 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -165.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -87.19 -5.43 58.98 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.661 1.985 . . . . 0.0 114.126 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -113.23 -33.0 6.11 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.59 1.956 . . . . 0.0 113.149 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.03 -57.09 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.653 1.115 . . . . 0.0 110.711 168.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -52.85 -29.2 26.64 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -66.09 -32.98 74.77 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.307 1.843 . . . . 0.0 114.44 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.75 -34.28 77.81 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.26 1.024 . . . . 0.0 112.274 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.1 mp -86.48 -37.86 17.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.761 0.824 . . . . 0.0 112.321 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.58 44.27 4.96 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.682 1.611 . . . . 0.0 112.878 -175.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 40.5 pt . . . . . 0 N--CA 1.476 0.846 0 C-N-CA 125.454 1.501 . . . . 0.0 113.549 -169.76 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 121.114 0.483 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 124.744 1.218 . . . . 0.0 112.1 175.706 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.47 0.557 0 CA-C-O 121.04 0.448 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.624 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -134.93 -177.09 4.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.6 0.76 . . . . 0.0 111.225 -158.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -91.71 173.06 8.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.998 -1.064 . . . . 0.0 113.258 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.16 144.45 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.31 1.844 . . . . 0.0 109.23 166.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 5.0 ttp-105 -86.61 147.08 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 172.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.98 119.01 14.48 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.488 0.661 . . . . 0.0 110.447 159.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -68.53 -4.59 15.69 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.606 1.562 . . . . 0.0 114.93 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -106.97 -29.68 9.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.941 0.897 . . . . 0.0 112.634 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.81 -114.54 0.18 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 126.051 1.74 . . . . 0.0 110.3 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -179.74 -12.37 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.116 1 C-N-CA 131.973 4.109 . . . . 0.0 110.557 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.407 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 8.9 ttpt -39.15 147.64 0.06 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.197 2.199 . . . . 0.0 113.687 166.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -111.07 150.4 29.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.261 1.024 . . . . 0.0 112.485 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -143.68 136.1 27.01 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.736 1.614 . . . . 0.0 110.098 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -76.43 131.47 39.1 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.839 0.856 . . . . 0.0 109.751 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 31.1 pt -135.85 157.84 75.21 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 126.435 1.894 . . . . 0.0 111.151 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.53 146.01 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.637 1.558 . . . . 0.0 112.266 171.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.465 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -56.35 -19.96 16.97 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.307 1.443 . . . . 0.0 114.495 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -58.93 -27.22 65.09 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.903 -1.123 . . . . 0.0 112.707 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.09 -32.7 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.464 1.506 . . . . 0.0 111.998 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.7 m -62.65 -29.73 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.182 -0.949 . . . . 0.0 112.356 -177.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.92 -15.77 74.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.217 1.389 . . . . 0.0 114.429 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 26.9 t -90.56 -33.33 15.94 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.43 1.492 . . . . 0.0 112.757 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.151 0.977 . . . . 0.0 110.759 -177.825 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 122.069 0.938 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -71.02 126.77 30.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 170.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.7 pt -141.33 164.45 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.673 0.789 . . . . 0.0 112.489 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.407 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 20.5 m -46.55 -44.83 18.25 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.972 0.909 . . . . 0.0 113.159 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -57.24 -32.01 66.12 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.893 1.224 . . . . 0.0 113.036 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -10.88 52.87 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.572 1.549 . . . . 0.0 113.69 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -53.11 139.51 28.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.474 1.51 . . . . 0.0 113.483 -172.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 75.5 m -52.6 -46.22 66.89 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.618 1.567 . . . . 0.0 114.38 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.21 105.61 17.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.776 1.23 . . . . 0.0 111.774 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.31 -23.35 56.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.67 1.588 . . . . 0.0 113.574 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.92 -23.8 66.7 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.718 1.607 . . . . 0.0 113.899 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -125.76 8.81 7.57 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.628 1.571 . . . . 0.0 113.978 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.07 45.03 1.25 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.249 1.819 . . . . 0.0 114.561 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.65 151.31 37.04 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.848 0.832 . . . . 0.0 111.772 162.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.0 -11.4 5.69 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.924 1.29 . . . . 0.0 112.446 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 39.9 m -93.53 -18.24 22.47 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.196 1.398 . . . . 0.0 113.104 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -78.02 179.29 6.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.379 1.072 . . . . 0.0 113.78 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -95.27 -157.51 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.578 1.551 . . . . 0.0 112.587 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -145.87 166.74 25.07 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.819 2.448 . . . . 0.0 110.973 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.57 -31.41 72.1 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.842 -1.161 . . . . 0.0 113.322 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.7 mtt -153.53 130.02 10.65 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.864 1.666 . . . . 0.0 110.023 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.5 m -63.19 161.55 13.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.162 0.585 . . . . 0.0 111.012 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -62.39 -30.32 71.12 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.781 -1.199 . . . . 0.0 112.649 -174.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -71.49 -10.17 59.35 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.561 1.544 . . . . 0.0 113.73 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -102.59 -48.94 3.98 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.365 172.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.79 11.14 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 123.565 1.65 . . . . 0.0 115.1 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -101.43 -37.3 8.5 Favored 'General case' 0 C--N 1.311 -1.065 0 O-C-N 120.226 -1.546 . . . . 0.0 112.068 158.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.36 -31.33 70.65 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.622 1.569 . . . . 0.0 113.73 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -62.68 -29.78 70.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.537 0.608 . . . . 0.0 112.575 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.3 mp -98.85 -30.12 12.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.387 1.075 . . . . 0.0 112.73 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 96.68 37.6 4.69 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.123 1.344 . . . . 0.0 113.286 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.8 pt . . . . . 0 N--CA 1.475 0.776 0 C-N-CA 126.635 1.974 . . . . 0.0 111.704 -176.442 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 122.152 0.977 . . . . 0.0 113.603 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 124.772 1.229 . . . . 0.0 112.143 179.645 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.693 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -142.15 -176.47 4.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.681 -153.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . 0.46 ' CZ2' HD13 ' A' ' 915' ' ' ILE . 73.2 m95 -95.16 177.16 5.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.312 -0.868 . . . . 0.0 111.801 169.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -146.44 140.98 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.959 1.704 . . . . 0.0 110.14 165.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -89.7 145.64 25.07 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.462 1.105 . . . . 0.0 110.077 171.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.8 125.81 26.51 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.379 0.609 . . . . 0.0 110.916 162.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -75.99 -2.6 31.34 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.859 1.663 . . . . 0.0 113.802 170.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -112.38 -29.73 7.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.145 0.978 . . . . 0.0 112.407 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 14.0 p -118.2 -112.55 0.34 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.868 1.267 . . . . 0.0 111.366 160.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -170.43 -4.06 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.297 2.239 . . . . 0.0 115.839 -169.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.586 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.4 tmmm? -53.17 149.29 7.15 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.848 1.659 . . . . 0.0 111.843 170.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -111.52 151.4 28.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.18 0.992 . . . . 0.0 112.786 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -143.78 137.02 27.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.638 1.575 . . . . 0.0 110.075 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 129.85 34.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.188 0.995 . . . . 0.0 110.532 172.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -135.65 154.85 78.43 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 126.689 1.995 . . . . 0.0 111.719 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.05 148.55 45.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.297 1.998 . . . . 0.0 112.746 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.441 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -50.95 -25.66 4.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.408 1.483 . . . . 0.0 114.955 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.2 m -56.61 -27.11 57.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.758 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.96 -34.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.083 1.353 . . . . 0.0 112.138 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . 0.693 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.1 m -60.28 -29.09 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.207 -0.933 . . . . 0.0 112.612 -177.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -76.07 -19.31 78.74 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.373 1.463 . . . . 0.0 114.671 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.2 t -90.01 -39.76 12.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.834 1.253 . . . . 0.0 111.975 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.479 1.511 . . . . 0.0 110.661 178.726 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.421 0.629 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -74.06 129.04 37.08 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.319 0.648 . . . . 0.0 109.725 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.32 162.37 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.312 0.645 . . . . 0.0 112.341 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.586 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 63.5 m -49.27 -43.75 43.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.72 174.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 43.0 tpp -65.9 -20.74 66.33 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.915 1.234 . . . . 0.0 113.077 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -12.71 43.62 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.724 1.61 . . . . 0.0 113.411 174.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -54.75 138.42 42.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.762 1.225 . . . . 0.0 113.096 -172.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 57.9 m -53.98 -44.49 70.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.282 1.433 . . . . 0.0 114.228 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.61 103.95 16.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.488 1.115 . . . . 0.0 111.599 -174.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.28 -23.54 56.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.509 1.524 . . . . 0.0 113.374 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -66.24 -24.52 66.6 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.001 1.721 . . . . 0.0 113.974 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -123.73 4.2 8.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.448 1.499 . . . . 0.0 114.547 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.03 43.18 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.868 2.467 . . . . 0.0 114.756 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -145.43 154.69 42.53 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.491 0.716 . . . . 0.0 111.836 163.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.05 -19.41 31.47 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.965 1.306 . . . . 0.0 111.703 165.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.1 m -93.38 -16.19 24.89 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.619 1.168 . . . . 0.0 113.547 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.05 168.91 19.14 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.063 0.945 . . . . 0.0 112.71 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -82.49 -165.07 0.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.192 1.397 . . . . 0.0 112.778 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.02 168.18 26.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.889 2.475 . . . . 0.0 110.864 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -67.3 -33.82 76.09 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.163 -0.961 . . . . 0.0 112.74 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -151.26 129.85 12.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.375 1.47 . . . . 0.0 110.842 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.4 m -65.84 161.95 19.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.872 0.869 . . . . 0.0 111.833 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.0 -17.01 61.73 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.36 -3.26 44.06 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 126.301 1.84 . . . . 0.0 114.057 173.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -114.44 -33.27 5.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.614 1.966 . . . . 0.0 113.493 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . 0.46 HD13 ' CZ2' ' A' ' 865' ' ' TRP . 1.3 tp -64.37 -56.18 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.037 1.29 . . . . 0.0 110.774 171.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -51.23 -31.79 21.87 Favored 'General case' 0 CA--C 1.551 1.0 0 O-C-N 120.836 -1.165 . . . . 0.0 113.696 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.52 -32.49 74.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.928 1.691 . . . . 0.0 114.353 171.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.88 -39.97 94.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.295 1.038 . . . . 0.0 111.435 174.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.92 -23.25 52.49 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.023 0.929 . . . . 0.0 112.713 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.95 34.48 8.88 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 126.08 1.8 . . . . 0.0 114.339 175.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.6 pt . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 126.075 1.75 . . . . 0.0 112.705 -166.196 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.475 0.798 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.466 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.96 -175.93 4.6 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.199 -157.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -113.58 171.4 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.084 0.954 . . . . 0.0 112.145 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.6 p -145.11 142.09 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.664 1.186 . . . . 0.0 110.031 168.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -88.23 141.09 28.83 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.813 1.245 . . . . 0.0 109.8 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.83 114.05 8.51 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.638 0.654 . . . . 0.0 109.544 162.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -64.01 -17.61 63.49 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.59 -16.75 28.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.795 0.838 . . . . 0.0 113.25 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 76.0 m -115.61 -104.75 0.4 Allowed 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 126.427 1.891 . . . . 0.0 110.222 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.4 p90 170.8 -17.41 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.001 1 C-N-CA 132.375 4.27 . . . . 0.0 109.958 -171.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -47.25 153.04 0.52 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.947 2.499 . . . . 0.0 113.19 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . 0.44 ' HE1' ' ND2' ' A' ' 912' ' ' ASN . 62.7 m95 -113.93 153.74 28.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.675 1.19 . . . . 0.0 112.363 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -144.38 139.96 28.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.541 1.136 . . . . 0.0 111.909 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 122.1 26.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.532 1.933 . . . . 0.0 110.023 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.77 156.54 79.97 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 125.165 1.386 . . . . 0.0 112.757 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -68.42 150.03 75.39 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 121.915 1.743 . . . . 0.0 110.819 162.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -56.87 -23.05 41.64 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 175.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.2 m -58.98 -28.49 66.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.921 1.288 . . . . 0.0 112.266 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.86 -41.45 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.977 0.911 . . . . 0.0 110.835 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -68.19 -19.72 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -92.26 -18.84 41.02 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.785 1.183 . . . . 0.0 114.436 171.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -84.3 -34.43 23.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.971 1.308 . . . . 0.0 112.304 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.47 0.542 0 C-N-CA 125.659 1.584 . . . . 0.0 107.723 167.318 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 121.279 0.561 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.15 131.9 44.97 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.4 pt -140.77 163.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.448 1.099 . . . . 0.0 111.599 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 17.8 m -49.9 -45.57 51.0 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.52 -13.09 61.74 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.911 -1.118 . . . . 0.0 113.643 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -12.21 28.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.821 1.649 . . . . 0.0 113.216 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -54.55 134.56 46.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.106 1.362 . . . . 0.0 112.598 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.5 m -56.01 -43.21 77.52 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.491 1.516 . . . . 0.0 113.749 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.01 99.8 11.25 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.323 1.049 . . . . 0.0 111.467 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -60.23 -18.21 47.11 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.147 1.779 . . . . 0.0 113.854 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -68.8 -24.32 64.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.219 1.808 . . . . 0.0 113.873 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -133.25 22.1 4.07 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.76 1.624 . . . . 0.0 112.804 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -96.52 40.53 1.13 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.928 1.691 . . . . 0.0 114.572 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -141.88 146.31 35.63 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.004 1.322 . . . . 0.0 110.986 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.6 m -58.58 -19.6 39.61 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.656 0.782 . . . . 0.0 112.116 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 38.2 m -86.44 -18.77 30.87 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.445 1.498 . . . . 0.0 114.368 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 6.3 mmpt? -75.69 -178.76 4.34 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.971 1.308 . . . . 0.0 113.516 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.8 t -106.87 -155.4 0.55 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.959 1.703 . . . . 0.0 112.553 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -145.54 167.93 21.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.978 2.111 . . . . 0.0 112.361 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.6 -35.53 74.5 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -151.31 132.86 14.77 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.901 1.681 . . . . 0.0 109.964 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.0 m -60.14 157.64 12.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.289 0.95 . . . . 0.0 111.685 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . 0.44 ' ND2' ' HE1' ' A' ' 874' ' ' TRP . 47.3 t-20 -55.02 -38.27 67.72 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.547 0.739 . . . . 0.0 111.691 -171.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.63 -27.62 68.79 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.469 1.508 . . . . 0.0 114.353 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -87.61 -48.63 7.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.445 1.498 . . . . 0.0 111.633 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.1 tp -59.43 -55.5 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.646 0.657 . . . . 0.0 111.798 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -58.52 -23.19 57.56 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.337 -1.477 . . . . 0.0 114.157 -175.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.68 -32.86 71.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.322 1.449 . . . . 0.0 114.055 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.1 -42.05 99.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.705 1.202 . . . . 0.0 112.201 -178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.7 mp -87.29 -27.89 22.62 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.858 0.863 . . . . 0.0 111.908 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 81.99 52.72 3.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.439 1.495 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 47.9 pt . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 125.314 1.446 . . . . 0.0 113.688 -165.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 C-N-CA 125.614 1.566 . . . . 0.0 114.606 -168.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.904 0.383 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -144.21 176.91 8.98 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.401 0.681 . . . . 0.0 111.836 -160.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . 0.465 ' HE1' HG21 ' B' ' 6' ' ' THR . 68.8 m95 -89.16 175.06 7.53 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.821 -1.174 . . . . 0.0 112.847 173.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.6 p -150.29 144.31 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.138 1.775 . . . . 0.0 110.279 165.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . 0.403 ' HB3' HH11 ' A' ' 867' ' ' ARG . 0.0 OUTLIER -86.36 143.97 27.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.828 0.851 . . . . 0.0 111.68 174.406 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.1 124.39 27.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.442 0.697 . . . . 0.0 110.982 161.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.36 -10.61 59.01 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 171.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -86.85 -30.53 21.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.393 0.997 . . . . 0.0 111.886 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 17.8 p -118.11 -101.24 0.43 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.94 1.296 . . . . 0.0 111.296 163.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -171.01 -11.48 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.573 2.349 . . . . 0.0 114.807 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -50.41 158.66 0.57 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.11 2.164 . . . . 0.0 114.358 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -114.05 150.05 34.56 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.438 1.095 . . . . 0.0 112.926 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -142.86 136.68 28.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.05 1.74 . . . . 0.0 110.978 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.93 111.98 19.74 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.439 1.496 . . . . 0.0 109.786 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 30.2 pt -112.88 159.43 34.54 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 127.753 2.421 . . . . 0.0 111.518 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.05 150.34 66.33 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 121.282 1.321 . . . . 0.0 111.973 167.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -46.35 -33.86 4.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.355 1.862 . . . . 0.0 114.735 172.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -58.92 -28.26 66.06 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.064 1.345 . . . . 0.0 112.671 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.29 -37.08 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.375 1.07 . . . . 0.0 111.291 173.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -66.26 -22.57 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 119.496 1.044 . . . . 0.0 113.046 -178.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.81 -18.55 63.28 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.537 1.065 . . . . 0.0 114.545 172.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -85.26 -41.5 15.51 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.771 1.229 . . . . 0.0 111.649 172.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 126.254 1.821 . . . . 0.0 109.384 168.412 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 121.558 0.694 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -78.51 141.59 38.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.881 1.272 . . . . 0.0 109.908 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -140.31 161.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.626 1.103 . . . . 0.0 113.546 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 74.4 m -49.39 -44.62 45.16 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.358 1.063 . . . . 0.0 113.622 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.72 -21.95 66.87 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.163 1.347 . . . . 0.0 112.92 -175.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -11.94 46.61 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.767 1.627 . . . . 0.0 113.421 175.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -54.69 138.86 40.74 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.91 1.284 . . . . 0.0 113.218 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -54.54 -43.94 72.41 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.26 1.424 . . . . 0.0 114.164 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.2 105.33 17.57 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.745 1.218 . . . . 0.0 111.564 -174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -58.21 -24.34 58.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.366 1.466 . . . . 0.0 113.39 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.83 -23.31 67.2 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.024 1.73 . . . . 0.0 114.013 172.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -128.19 10.37 6.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.473 1.509 . . . . 0.0 114.161 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -87.58 41.45 0.99 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.884 2.074 . . . . 0.0 114.605 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.09 152.05 37.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.797 0.839 . . . . 0.0 111.351 165.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.52 -15.7 7.84 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.144 0.978 . . . . 0.0 112.226 166.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.4 m -91.31 -18.9 23.6 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.508 1.123 . . . . 0.0 113.214 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -76.22 178.13 6.68 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.201 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.8 t -93.68 -159.72 0.71 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.267 1.427 . . . . 0.0 112.848 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -148.05 167.57 24.6 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.796 2.439 . . . . 0.0 110.892 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.95 -36.36 83.7 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.253 -0.905 . . . . 0.0 113.24 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 56.7 mtt -152.48 133.98 14.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.552 1.541 . . . . 0.0 110.873 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.1 p -62.05 155.89 22.81 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.984 0.897 . . . . 0.0 112.389 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.02 -31.43 71.05 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.3 -160.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -80.27 -11.91 59.67 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.148 1.779 . . . . 0.0 115.025 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -97.32 -38.23 9.74 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.312 1.445 . . . . 0.0 111.735 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -66.9 -55.68 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 118.669 0.668 . . . . 0.0 112.296 170.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -54.72 -27.96 44.58 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.003 -1.686 . . . . 0.0 114.321 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.31 -31.78 72.43 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.338 2.255 . . . . 0.0 114.344 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.78 -45.65 92.98 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.084 0.954 . . . . 0.0 111.885 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . 0.539 HD21 ' H ' ' B' ' 6' ' ' THR . 2.6 mp -83.12 -30.47 27.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.809 0.844 . . . . 0.0 112.167 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.73 39.54 6.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.271 1.415 . . . . 0.0 112.735 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 24.4 pt . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 126.095 1.758 . . . . 0.0 112.157 -171.697 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.539 ' H ' HD21 ' A' ' 919' ' ' LEU 0.255 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 C-N-CA 128.782 2.833 . . . . 0.0 116.776 -175.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 121.425 0.631 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -130.94 -177.88 4.57 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.721 0.808 . . . . 0.0 112.584 -160.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -98.95 172.33 7.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.421 -0.8 . . . . 0.0 111.169 161.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.69 145.21 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.707 1.603 . . . . 0.0 110.006 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.43 144.56 28.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.504 1.521 . . . . 0.0 111.533 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.0 t -73.1 117.88 15.37 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.032 0.933 . . . . 0.0 111.447 167.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -78.3 6.3 8.58 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 168.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -101.25 -30.62 11.42 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.493 1.042 . . . . 0.0 112.53 167.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.269 14.4 p -126.09 -98.81 0.4 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.397 1.479 . . . . 0.0 112.119 168.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -162.04 -13.04 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.838 2.455 . . . . 0.0 114.991 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -43.12 136.52 2.83 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.982 1.713 . . . . 0.0 113.939 -173.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -101.75 143.43 31.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.362 1.065 . . . . 0.0 111.658 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -142.84 137.21 29.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.905 1.682 . . . . 0.0 110.246 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.3 30.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.65 1.18 . . . . 0.0 109.549 174.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.2 pt -127.34 156.2 75.28 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 127.377 2.271 . . . . 0.0 111.102 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.91 154.92 62.96 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.459 1.439 . . . . 0.0 111.454 167.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -51.75 -26.18 8.99 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.0 m -60.75 -27.18 67.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.986 1.314 . . . . 0.0 112.79 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 91.4 t -91.21 -38.81 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.429 1.092 . . . . 0.0 110.818 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.73 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.981 0.809 . . . . 0.0 112.801 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.47 -17.86 70.11 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.974 1.274 . . . . 0.0 114.197 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.4 t -91.94 -41.22 10.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.2 1.4 . . . . 0.0 112.113 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.471 0.602 0 C-N-CA 125.19 1.396 . . . . 0.0 109.486 177.157 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.647 0.737 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -76.07 135.32 39.9 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.201 1.001 . . . . 0.0 109.477 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.4 pt -142.97 164.87 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.82 0.848 . . . . 0.0 112.768 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 75.0 m -49.11 -47.44 45.36 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.313 -0.867 . . . . 0.0 113.215 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -63.66 -25.27 68.14 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.844 1.202 . . . . 0.0 112.878 -173.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -7.65 56.7 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -54.54 136.36 44.92 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.679 1.592 . . . . 0.0 111.862 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 56.6 m -60.27 -42.34 95.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.345 1.458 . . . . 0.0 113.475 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.14 102.47 13.3 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.243 1.017 . . . . 0.0 111.368 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -58.93 -21.64 58.43 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.865 1.666 . . . . 0.0 113.512 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.05 -26.26 68.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.099 1.76 . . . . 0.0 113.563 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -133.02 16.87 4.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.535 1.534 . . . . 0.0 113.616 -173.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.37 32.66 0.93 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.972 1.709 . . . . 0.0 114.975 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -149.87 148.67 29.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.968 1.307 . . . . 0.0 111.49 166.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.56 -18.36 4.32 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 125.786 1.634 . . . . 0.0 112.599 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 33.6 m -90.67 -15.01 31.15 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.359 1.864 . . . . 0.0 113.569 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.11 -175.49 1.84 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.9 t -81.18 -159.84 0.29 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.008 1.723 . . . . 0.0 113.147 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -153.61 155.7 36.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 128.192 2.597 . . . . 0.0 109.893 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.8 -40.11 91.59 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.541 1.519 . . . . 0.0 112.052 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -144.33 140.08 28.91 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.026 1.33 . . . . 0.0 110.388 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.03 156.58 20.92 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.184 0.902 . . . . 0.0 111.152 173.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -61.59 -32.3 72.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -163.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -71.39 -28.53 64.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.532 1.133 . . . . 0.0 113.037 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -83.11 -37.24 24.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.384 1.074 . . . . 0.0 111.95 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.7 tp -67.87 -54.85 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.667 0.667 . . . . 0.0 111.081 169.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -57.83 -26.28 61.8 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.445 -1.409 . . . . 0.0 114.043 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -66.26 -36.35 82.76 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.157 1.383 . . . . 0.0 114.164 167.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -65.82 -33.45 75.89 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.97 1.308 . . . . 0.0 112.516 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.62 -38.45 29.23 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.854 0.862 . . . . 0.0 111.946 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.81 38.71 4.84 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.852 1.691 . . . . 0.0 113.302 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 15.9 pt . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 125.892 1.677 . . . . 0.0 112.869 -167.471 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 125.022 1.329 . . . . 0.0 112.588 176.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -125.86 -172.34 2.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.687 1.595 . . . . 0.0 113.102 -163.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -104.32 175.71 5.4 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.526 -0.734 . . . . 0.0 111.821 159.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.15 146.17 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.392 1.477 . . . . 0.0 110.801 163.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.21 142.95 27.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 111.728 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.93 126.51 30.63 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.8 0.84 . . . . 0.0 111.754 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -83.3 -10.59 58.42 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.94 -27.4 22.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.111 0.869 . . . . 0.0 112.662 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.265 16.0 p -128.78 -94.15 0.43 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.819 1.247 . . . . 0.0 111.761 166.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -170.51 -18.1 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.179 2.592 . . . . 0.0 113.177 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.02 141.53 2.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.08 1.352 . . . . 0.0 114.325 -174.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -101.84 148.85 24.82 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 125.505 1.522 . . . . 0.0 112.063 -176.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -145.07 138.93 27.03 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.307 1.443 . . . . 0.0 110.289 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -76.23 128.32 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.492 1.517 . . . . 0.0 109.85 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.3 pt -135.33 155.6 78.56 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 125.308 1.443 . . . . 0.0 112.508 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -66.79 149.27 83.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 121.839 1.693 . . . . 0.0 111.017 163.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.28 62.63 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 70.8 m -60.57 -25.55 66.28 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.129 -0.982 . . . . 0.0 112.792 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.4 t -84.37 -38.81 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.625 0.77 . . . . 0.0 110.471 171.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -19.46 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 118.914 0.779 . . . . 0.0 113.048 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.03 -21.24 46.82 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.974 1.273 . . . . 0.0 114.732 169.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -83.68 -35.78 24.26 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 112.145 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 125.313 1.445 . . . . 0.0 108.906 174.314 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 120.832 0.349 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -106.85 138.27 43.34 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.01 1.724 . . . . 0.0 110.366 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 22.8 pt -142.21 162.39 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.966 0.906 . . . . 0.0 112.756 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 71.2 m -46.48 -47.82 19.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.564 1.146 . . . . 0.0 113.325 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 52.8 mtt -65.5 -19.63 66.01 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.907 1.23 . . . . 0.0 113.09 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -15.12 37.73 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.94 1.696 . . . . 0.0 113.375 174.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 139.35 44.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.013 1.325 . . . . 0.0 112.7 -172.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.8 m -54.59 -48.45 72.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.735 1.214 . . . . 0.0 113.234 173.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.73 103.98 16.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.453 1.101 . . . . 0.0 112.142 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . 0.508 ' CA ' ' HE3' ' A' ' 899' ' ' LYS . 0.0 OUTLIER -59.77 -18.96 47.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.582 1.953 . . . . 0.0 114.014 -177.047 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -67.13 -24.92 65.97 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.396 1.478 . . . . 0.0 113.657 170.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.27 5.66 5.8 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -80.87 35.98 0.38 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.359 2.263 . . . . 0.0 114.836 -172.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.42 148.41 30.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 0.0 111.599 168.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 83.6 m -57.98 -16.07 11.19 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.405 1.482 . . . . 0.0 112.834 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 60.9 m -91.78 -14.81 29.24 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.223 1.409 . . . . 0.0 113.27 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -77.53 179.5 6.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -87.7 -161.64 0.73 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.168 1.787 . . . . 0.0 113.051 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.62 156.83 42.57 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.151 2.581 . . . . 0.0 110.486 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.33 -39.19 93.4 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.057 1.298 . . . . 0.0 112.277 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.58 140.37 27.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 0.0 109.636 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 p -60.46 151.89 27.12 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.142 1.337 . . . . 0.0 111.51 168.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.73 -34.74 74.86 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -164.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.41 -26.59 68.52 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.039 0.936 . . . . 0.0 113.372 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -85.98 -39.33 17.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.411 1.084 . . . . 0.0 112.586 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -71.49 -54.02 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.379 0.99 . . . . 0.0 111.922 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -56.33 -26.14 51.33 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 120.007 -1.683 . . . . 0.0 113.77 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.39 -32.71 74.43 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.182 1.793 . . . . 0.0 114.794 168.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -64.8 -38.5 91.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.252 1.421 . . . . 0.0 111.819 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.6 mp -84.01 -36.29 23.26 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.09 0.956 . . . . 0.0 112.186 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.2 44.52 3.51 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.509 1.528 . . . . 0.0 113.102 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 23.6 pt . . . . . 0 N--CA 1.477 0.88 0 C-N-CA 126.228 1.811 . . . . 0.0 112.131 -171.016 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -171.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -131.66 179.69 5.9 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.86 0.864 . . . . 0.0 112.034 -155.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -92.66 174.55 7.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.171 -0.956 . . . . 0.0 112.016 160.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.79 142.83 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.638 1.975 . . . . 0.0 109.395 166.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.96 147.85 27.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.295 1.038 . . . . 0.0 111.576 174.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.77 112.47 8.84 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.127 0.489 . . . . 0.0 109.694 155.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -62.35 -16.65 55.73 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 171.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.64 -13.19 23.02 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.01 1.324 . . . . 0.0 113.665 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 87.4 m -118.54 -103.71 0.41 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 126.258 1.823 . . . . 0.0 110.36 170.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 51.8 p90 174.09 -16.68 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.929 1 C-N-CA 132.273 4.229 . . . . 0.0 110.232 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.455 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 7.1 ttpt -45.88 153.86 0.27 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.375 2.67 . . . . 0.0 113.465 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -119.96 148.75 43.15 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.818 0.847 . . . . 0.0 113.04 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -141.78 137.21 31.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.153 1.381 . . . . 0.0 112.613 172.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 126.03 31.21 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.462 1.505 . . . . 0.0 110.059 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.19 159.69 70.42 Favored Pre-proline 0 N--CA 1.471 0.581 0 C-N-CA 128.136 2.574 . . . . 0.0 111.55 -173.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -69.9 151.04 68.16 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.545 1.497 . . . . 0.0 111.474 163.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.79 -23.1 40.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 39.1 t -59.17 -30.18 68.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.261 1.024 . . . . 0.0 112.043 173.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 93.8 t -84.24 -42.34 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.197 0.999 . . . . 0.0 110.526 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -21.47 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 121.497 -0.752 . . . . 0.0 112.401 -177.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -90.96 7.51 81.05 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.396 1.95 . . . . 0.0 114.843 173.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 21.9 t -129.66 -25.67 2.57 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.659 1.584 . . . . 0.0 113.191 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 124.879 1.271 . . . . 0.0 109.373 169.431 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -78.34 128.9 34.34 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 165.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.6 pt -141.56 164.35 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.182 0.993 . . . . 0.0 111.543 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.455 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 22.3 m -49.81 -45.59 50.16 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.76 -23.98 67.58 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.998 1.272 . . . . 0.0 113.082 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -14.13 47.82 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.439 1.496 . . . . 0.0 113.508 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -55.95 135.82 52.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.16 1.384 . . . . 0.0 112.768 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.3 m -57.69 -43.33 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.265 1.426 . . . . 0.0 113.593 170.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.25 103.84 13.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.378 1.071 . . . . 0.0 112.213 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.86 -16.17 38.57 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.167 1.787 . . . . 0.0 113.438 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -57.8 -32.53 67.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 168.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -140.58 17.96 2.36 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -84.43 39.27 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.542 1.537 . . . . 0.0 114.782 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.87 144.48 31.13 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.515 1.526 . . . . 0.0 110.953 173.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.5 m -59.69 -20.11 54.17 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.327 0.651 . . . . 0.0 111.969 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 20.4 m -87.2 -17.87 31.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.333 1.453 . . . . 0.0 114.087 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -74.73 175.13 8.23 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.561 1.144 . . . . 0.0 113.878 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.7 t -87.28 -156.49 0.34 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.912 1.685 . . . . 0.0 112.249 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.79 166.15 34.18 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.22 2.608 . . . . 0.0 110.595 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -73.73 -26.22 60.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.4 mmt -148.9 128.66 13.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.391 1.476 . . . . 0.0 110.305 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.1 m -61.69 160.88 10.85 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.153 0.981 . . . . 0.0 110.96 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.18 -26.85 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 120.6 -1.312 . . . . 0.0 112.794 -174.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.07 -0.77 29.34 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.628 1.571 . . . . 0.0 114.126 170.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -114.25 -45.91 3.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.937 . . . . 0.0 111.564 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.38 7.26 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 123.804 1.764 . . . . 0.0 114.837 174.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -94.25 -41.3 9.54 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.653 -1.904 . . . . 0.0 112.601 156.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.69 -30.4 70.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.904 1.281 . . . . 0.0 113.904 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -60.05 -33.47 72.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.775 0.83 . . . . 0.0 112.843 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.44 -26.72 14.75 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 97.34 28.59 8.43 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.192 1.377 . . . . 0.0 113.38 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 49.7 pt . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 126.623 1.969 . . . . 0.0 111.435 -178.11 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.473 0.723 0 C-N-CA 124.971 1.309 . . . . 0.0 112.862 -174.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -133.9 178.14 7.18 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.521 1.128 . . . . 0.0 111.708 -151.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -94.17 175.35 6.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.949 -1.095 . . . . 0.0 112.24 167.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.97 143.4 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.21 1.804 . . . . 0.0 110.254 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 148.74 23.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.797 1.239 . . . . 0.0 111.921 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.11 119.32 19.1 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.978 0.911 . . . . 0.0 110.691 161.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -77.13 -4.6 45.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 170.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -90.64 -50.99 5.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.697 1.135 . . . . 0.0 110.884 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.298 13.7 p -103.45 -102.88 0.29 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.639 1.176 . . . . 0.0 111.26 167.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -164.91 -13.32 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -53.38 141.27 24.96 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -93.8 145.33 24.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.408 1.083 . . . . 0.0 111.749 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -142.02 135.73 29.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.524 1.53 . . . . 0.0 112.986 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.55 124.57 28.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.978 1.311 . . . . 0.0 110.644 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.18 160.32 68.45 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 128.145 2.578 . . . . 0.0 111.319 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -68.38 149.58 75.28 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 121.593 1.529 . . . . 0.0 111.788 166.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -57.22 -25.84 59.73 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -60.71 -27.22 67.73 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.615 1.166 . . . . 0.0 112.429 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 83.5 t -89.23 -39.18 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.93 0.892 . . . . 0.0 110.899 172.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -22.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.416 1.007 . . . . 0.0 113.146 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.42 -20.15 49.56 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.528 1.061 . . . . 0.0 114.402 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.2 t -79.95 -40.42 28.09 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.569 1.147 . . . . 0.0 111.505 170.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 125.957 1.703 . . . . 0.0 109.951 168.525 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 121.057 0.456 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -77.4 133.73 38.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.408 0.683 . . . . 0.0 109.238 171.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 15.7 pt -141.88 163.08 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.025 0.93 . . . . 0.0 111.808 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.5 m -48.71 -47.8 40.85 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.72 0.808 . . . . 0.0 112.886 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 73.0 mtm -68.2 -14.67 63.16 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.725 -1.235 . . . . 0.0 113.619 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -15.55 34.05 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.644 1.577 . . . . 0.0 113.15 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -59.1 137.02 58.12 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.248 1.419 . . . . 0.0 112.925 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 41.8 m -59.0 -42.42 90.0 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.084 1.354 . . . . 0.0 113.561 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -83.77 103.97 13.5 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.448 1.099 . . . . 0.0 112.044 -172.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.0 -18.95 49.76 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.059 1.744 . . . . 0.0 113.497 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -60.29 -27.37 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.248 1.819 . . . . 0.0 113.09 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -137.04 12.1 3.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.04 31.46 0.32 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -148.34 147.23 29.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.203 1.801 . . . . 0.0 110.466 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 72.4 m -59.97 -17.02 34.95 Favored 'General case' 0 CA--C 1.561 1.391 0 O-C-N 121.379 -0.826 . . . . 0.0 112.337 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 67.4 m -85.62 -22.03 28.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.491 1.516 . . . . 0.0 113.596 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -72.09 -179.83 2.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.436 0.695 . . . . 0.0 112.027 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 6.2 t -152.46 152.71 32.29 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.44 162.44 25.49 Favored 'General case' 0 CA--C 1.541 0.599 1 C-N-CA 134.138 4.975 . . . . 0.0 116.797 -154.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -88.3 -29.46 20.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.289 1.036 . . . . 0.0 113.123 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.7 mmt -141.25 137.52 32.6 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 109.583 167.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.6 m -67.11 161.16 25.17 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.341 0.973 . . . . 0.0 111.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -68.23 -19.88 64.77 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -168.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -67.81 -43.41 79.71 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.773 0.715 . . . . 0.0 111.214 166.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -72.65 -46.4 54.12 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.037 0.935 . . . . 0.0 111.305 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.293 1.3 tp -80.11 15.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 173.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . 0.284 0.8 OUTLIER -111.12 -32.9 6.63 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.642 -1.286 . . . . 0.0 113.874 155.319 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.08 -32.63 74.43 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.454 1.102 . . . . 0.0 113.361 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.23 -31.35 68.98 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.36 1.064 . . . . 0.0 112.958 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.9 mp -105.78 -28.95 10.36 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.526 1.131 . . . . 0.0 112.559 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.21 44.29 5.07 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.329 1.442 . . . . 0.0 112.67 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 44.1 pt . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 125.724 1.609 . . . . 0.0 112.84 -171.013 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 121.034 0.445 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.925 0 C-N-CA 124.752 1.221 . . . . 0.0 113.861 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 121.028 0.442 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -129.47 -174.32 3.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.113 1.765 . . . . 0.0 111.741 -171.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -104.98 170.7 7.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.097 -1.002 . . . . 0.0 111.728 164.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.3 p -144.48 143.48 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.934 1.694 . . . . 0.0 109.692 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -95.66 150.26 20.56 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.546 1.138 . . . . 0.0 112.343 175.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.8 t -74.16 124.77 26.96 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.554 1.142 . . . . 0.0 112.142 170.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.74 -9.63 58.56 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -108.24 -32.03 7.65 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.98 1.264 . . . . 0.0 113.391 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.295 14.4 p -113.73 -104.67 0.4 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.28 1.032 . . . . 0.0 110.73 161.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -168.57 -3.51 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.181 2.193 . . . . 0.0 115.706 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.432 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 3.0 tppt? -47.52 151.57 0.78 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.92 2.488 . . . . 0.0 113.29 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -108.05 149.21 28.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.048 1.339 . . . . 0.0 112.857 171.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -143.85 136.25 26.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.932 1.293 . . . . 0.0 111.751 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 124.87 29.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.149 1.38 . . . . 0.0 109.509 175.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 50.3 pt -129.83 155.81 79.91 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 126.88 2.072 . . . . 0.0 111.537 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -68.24 150.14 76.43 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.547 1.498 . . . . 0.0 111.021 164.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.37 -21.79 16.86 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 67.6 m -62.47 -25.19 67.86 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.241 -0.912 . . . . 0.0 112.588 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 99.4 t -87.53 -40.03 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 110.678 171.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -20.93 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.78 0.718 . . . . 0.0 112.699 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.61 -20.67 59.56 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.996 1.284 . . . . 0.0 114.306 171.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.1 t -85.82 -42.4 14.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.931 1.292 . . . . 0.0 111.953 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.712 1.605 . . . . 0.0 109.857 175.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.275 0.56 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -73.76 130.07 39.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.2 pt -142.35 163.66 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.99 0.916 . . . . 0.0 112.507 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.432 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 57.9 m -50.45 -45.16 55.81 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.137 0.975 . . . . 0.0 113.338 174.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.7 tpp -63.84 -23.93 67.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.052 1.296 . . . . 0.0 112.604 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.61 -14.37 48.9 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.744 1.617 . . . . 0.0 113.302 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.9 134.38 52.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.843 1.257 . . . . 0.0 112.421 -173.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 46.3 m -56.85 -42.8 80.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.364 1.466 . . . . 0.0 113.617 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.57 101.99 13.16 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.371 1.069 . . . . 0.0 111.722 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -60.5 -18.67 53.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.898 1.679 . . . . 0.0 113.88 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -66.32 -24.77 66.59 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.317 1.847 . . . . 0.0 113.397 171.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -136.08 21.79 3.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.441 1.496 . . . . 0.0 113.569 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -94.92 34.12 1.4 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.908 1.683 . . . . 0.0 115.036 -172.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.25 146.52 30.78 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.04 1.336 . . . . 0.0 110.722 172.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.3 m -56.42 -18.85 12.5 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.768 0.827 . . . . 0.0 112.211 171.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.8 m -89.39 -19.1 25.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.134 1.773 . . . . 0.0 114.61 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -69.92 177.42 3.14 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.1 t -78.77 -166.94 0.97 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.6 1.56 . . . . 0.0 113.185 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -147.75 147.65 30.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.924 2.49 . . . . 0.0 109.804 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.82 -24.13 61.66 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.694 -1.254 . . . . 0.0 113.903 -174.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.4 mtt -143.46 139.69 30.0 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.863 1.265 . . . . 0.0 109.091 171.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -67.37 158.91 30.51 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.63 1.559 . . . . 0.0 110.583 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.69 -33.53 74.16 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.482 -0.761 . . . . 0.0 111.752 -169.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.01 -10.25 59.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.386 1.875 . . . . 0.0 114.825 175.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -99.97 -42.13 6.9 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.729 1.612 . . . . 0.0 111.15 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.9 tp -70.42 -50.58 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.978 -0.451 . . . . 0.0 111.619 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -55.38 -26.59 42.22 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.968 -1.707 . . . . 0.0 113.893 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -70.06 -35.82 74.53 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.788 2.035 . . . . 0.0 114.368 170.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -65.28 -39.98 93.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.116 0.966 . . . . 0.0 111.759 174.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.33 -34.69 42.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.386 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 82.7 47.62 5.86 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.596 1.569 . . . . 0.0 113.077 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 39.3 pt . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 113.938 -165.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 125.746 1.618 . . . . 0.0 113.582 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.16 -178.67 5.01 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.196 1.398 . . . . 0.0 113.092 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . 0.524 ' HE1' HG21 ' B' ' 6' ' ' THR . 51.2 m95 -130.54 138.64 50.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 123.742 0.817 . . . . 0.0 111.816 167.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -115.08 136.82 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.068 0.947 . . . . 0.0 111.466 -168.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.38 143.28 27.1 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.788 0.835 . . . . 0.0 111.944 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.7 124.51 23.47 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.439 0.695 . . . . 0.0 111.305 165.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.35 -12.51 61.16 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.815 1.246 . . . . 0.0 113.963 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -100.73 -29.77 12.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.752 1.16 . . . . 0.0 112.571 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.277 14.5 p -121.94 -104.22 0.39 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.746 1.218 . . . . 0.0 111.188 160.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -170.84 -4.64 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.348 2.259 . . . . 0.0 115.804 -174.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.83 141.25 13.57 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.219 0.918 . . . . 0.0 112.716 176.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -96.35 149.69 21.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.195 1.398 . . . . 0.0 111.939 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -143.27 136.67 28.24 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.258 1.823 . . . . 0.0 110.899 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.49 126.67 30.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.19 1.796 . . . . 0.0 109.67 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.6 pt -133.4 154.65 81.02 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 126.093 1.757 . . . . 0.0 111.548 -177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -70.49 152.33 65.47 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.521 1.481 . . . . 0.0 110.931 166.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -51.78 -26.56 9.91 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 173.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.5 m -61.47 -25.74 67.44 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.685 0.794 . . . . 0.0 112.495 175.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 87.5 t -88.33 -41.03 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.904 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -68.41 -20.3 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.165 0.893 . . . . 0.0 113.341 -176.743 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -87.48 -16.22 60.69 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.756 1.17 . . . . 0.0 114.253 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.7 t -89.6 -39.18 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.305 1.442 . . . . 0.0 112.133 174.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 125.642 1.577 . . . . 0.0 109.041 172.148 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.735 0.302 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -77.35 133.1 38.82 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 169.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.9 pt -141.57 162.84 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.653 0.781 . . . . 0.0 112.476 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 81.4 m -47.97 -47.43 32.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.292 1.037 . . . . 0.0 113.158 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.26 -20.79 66.58 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 120.199 1.363 . . . . 0.0 112.973 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -14.99 42.92 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.635 1.574 . . . . 0.0 113.495 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -55.43 134.38 50.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.831 1.253 . . . . 0.0 112.253 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 9.0 m -57.2 -40.37 77.29 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.744 1.218 . . . . 0.0 113.605 172.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.83 98.74 11.64 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.124 0.964 . . . . 0.0 111.597 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.11 -18.21 45.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.263 1.825 . . . . 0.0 113.794 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.41 -25.62 66.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.767 1.627 . . . . 0.0 113.409 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -129.83 9.67 5.43 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.09 37.47 0.49 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.336 2.255 . . . . 0.0 114.703 -172.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.94 149.47 30.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 111.579 167.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.7 m -57.65 -17.3 13.96 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 125.264 1.426 . . . . 0.0 112.545 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 28.5 m -89.02 -17.64 28.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.839 1.656 . . . . 0.0 113.008 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -77.89 177.97 7.8 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -88.03 -161.93 0.77 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.979 1.711 . . . . 0.0 113.096 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -152.65 153.85 34.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.057 2.543 . . . . 0.0 110.163 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.96 -37.31 87.23 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.622 -1.299 . . . . 0.0 112.455 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 63.5 mtt -144.08 140.14 29.3 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.697 1.599 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -64.58 158.27 24.73 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.426 1.012 . . . . 0.0 110.79 175.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.03 -29.3 70.71 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.306 -0.871 . . . . 0.0 112.215 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -79.86 -1.44 39.09 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.832 2.053 . . . . 0.0 115.046 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -108.65 -39.64 5.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.167 1.787 . . . . 0.0 111.607 175.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -52.21 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.515 -0.741 . . . . 0.0 111.478 172.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -53.19 -30.72 39.13 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.228 -1.545 . . . . 0.0 113.475 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.32 -34.05 76.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.771 1.628 . . . . 0.0 114.095 173.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.77 -38.58 91.45 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.455 -0.778 . . . . 0.0 112.0 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.7 mt -77.25 -24.91 51.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.403 1.081 . . . . 0.0 112.148 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.78 33.14 10.19 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.686 1.613 . . . . 0.0 113.523 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 35.1 pt . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 126.376 1.87 . . . . 0.0 111.894 -167.549 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 121.842 0.829 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.524 HG21 ' HE1' ' A' ' 865' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 C-N-CA 125.995 1.718 . . . . 0.0 114.889 -171.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 121.772 0.796 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -151.24 175.62 12.01 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.043 1.337 . . . . 0.0 111.814 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -97.31 176.61 5.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.09 -1.006 . . . . 0.0 111.625 162.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 9.6 p -146.99 139.21 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.978 1.311 . . . . 0.0 110.599 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -87.68 141.41 28.63 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.477 1.511 . . . . 0.0 110.533 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.08 119.66 15.52 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.055 0.542 . . . . 0.0 111.1 165.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.1 -13.97 62.74 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -91.02 -28.81 17.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.068 1.304 . . . . 0.0 112.864 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 15.4 p -122.39 -98.59 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.837 1.255 . . . . 0.0 111.407 164.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -173.81 -8.66 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.65 2.38 . . . . 0.0 114.996 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.648 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.8 tmmm? -45.35 146.61 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.884 2.074 . . . . 0.0 113.316 178.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -108.48 147.8 31.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.023 0.929 . . . . 0.0 113.478 -175.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -145.03 139.16 27.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.008 1.323 . . . . 0.0 111.983 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -82.54 126.72 32.6 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.195 1.398 . . . . 0.0 110.118 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 47.0 pt -130.09 158.9 72.67 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.032 2.133 . . . . 0.0 111.136 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -67.54 147.96 77.7 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 121.424 1.416 . . . . 0.0 110.349 162.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.01 -19.69 53.89 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 78.2 p -61.61 -26.36 67.93 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.095 -1.003 . . . . 0.0 112.889 170.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.9 t -84.81 -38.16 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.924 0.89 . . . . 0.0 110.256 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.54 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.93 0.786 . . . . 0.0 112.914 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.91 -23.21 56.23 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.9 1.238 . . . . 0.0 114.274 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.0 t -85.74 -39.81 16.77 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.019 1.328 . . . . 0.0 112.241 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 125.843 1.657 . . . . 0.0 108.693 172.043 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 121.198 0.523 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -71.37 132.15 44.42 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 164.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.2 pt -141.32 163.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.117 0.967 . . . . 0.0 112.43 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.648 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 59.0 m -50.41 -45.87 55.93 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 174.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.35 -26.07 68.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.694 1.133 . . . . 0.0 112.367 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -14.24 54.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.491 1.516 . . . . 0.0 113.434 176.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -54.99 134.64 49.04 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.06 1.344 . . . . 0.0 112.457 -173.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 12.8 m -58.61 -41.24 85.45 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.567 1.147 . . . . 0.0 113.599 172.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -86.02 100.05 11.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 122.018 0.913 . . . . 0.0 111.979 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -60.71 -17.48 48.48 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.095 1.758 . . . . 0.0 113.928 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -64.76 -25.84 68.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.505 1.522 . . . . 0.0 113.284 170.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -132.3 8.75 4.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.33 40.13 0.7 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.144 2.178 . . . . 0.0 115.35 -168.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -147.81 150.1 33.56 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.677 1.591 . . . . 0.0 111.558 169.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 74.3 m -58.22 -21.69 48.96 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.662 1.185 . . . . 0.0 112.065 171.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 45.5 m -84.95 -20.31 30.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.663 1.585 . . . . 0.0 113.27 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.42 169.11 18.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.177 0.991 . . . . 0.0 112.958 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.3 t -91.38 -159.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.422 1.489 . . . . 0.0 112.458 -175.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.27 163.43 38.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.867 2.467 . . . . 0.0 111.218 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.47 -26.04 65.28 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -172.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.5 mmt -144.88 136.19 25.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.36 1.064 . . . . 0.0 111.921 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.66 157.2 21.4 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.649 0.659 . . . . 0.0 111.575 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -60.88 -33.0 72.43 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -164.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.89 -16.77 54.68 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.512 1.525 . . . . 0.0 113.574 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -88.74 -41.66 12.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.074 1.35 . . . . 0.0 111.587 174.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.25 1.4 tp -65.05 -58.51 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 118.743 0.701 . . . . 0.0 111.344 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -55.39 -29.05 57.77 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 120.08 -1.637 . . . . 0.0 114.286 -173.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.42 -31.3 72.33 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.313 1.845 . . . . 0.0 114.753 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -58.88 -34.46 71.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 112.536 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.26 -32.72 12.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.44 1.096 . . . . 0.0 112.218 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.93 4.75 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.255 1.407 . . . . 0.0 113.021 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 126.138 1.775 . . . . 0.0 112.118 -171.564 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.482 1.137 0 O-C-N 121.028 -1.045 . . . . 0.0 113.745 -171.313 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.06 -179.86 6.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.353 0.661 . . . . 0.0 112.44 -167.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -97.09 177.22 5.66 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.174 -0.954 . . . . 0.0 112.758 167.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.4 p -148.77 140.92 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.959 1.704 . . . . 0.0 110.594 167.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -83.75 143.58 29.91 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.606 1.162 . . . . 0.0 110.956 172.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.2 t -68.57 120.5 14.69 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.199 0.523 . . . . 0.0 109.943 160.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -67.72 -9.99 48.58 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.36 1.464 . . . . 0.0 113.948 172.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -105.18 -27.35 11.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.488 1.115 . . . . 0.0 112.874 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 68.0 m -104.59 -113.21 0.24 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.837 1.655 . . . . 0.0 110.436 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 47.4 p90 179.29 -16.79 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 1 C-N-CA 132.0 4.12 . . . . 0.0 110.435 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . 0.489 ' HE3' ' SG ' ' A' ' 893' ' ' CYS . 0.1 OUTLIER -40.45 148.62 0.09 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.057 2.943 . . . . 0.0 112.907 164.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -117.9 157.76 26.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.895 1.278 . . . . 0.0 113.305 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -146.27 139.02 25.46 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.96 1.304 . . . . 0.0 111.594 171.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 124.57 27.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.849 1.66 . . . . 0.0 109.453 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 37.0 pt -129.71 156.18 79.23 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.669 2.388 . . . . 0.0 111.467 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.95 151.23 73.64 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 121.501 1.467 . . . . 0.0 111.372 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.19 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.13 -24.79 68.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.276 -0.89 . . . . 0.0 112.684 174.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 86.7 t -89.34 -38.91 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.125 0.97 . . . . 0.0 110.727 172.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.42 -22.21 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.037 0.835 . . . . 0.0 112.744 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.96 -17.94 68.73 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.835 1.207 . . . . 0.0 114.346 172.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -90.94 -39.91 12.0 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.329 1.451 . . . . 0.0 112.409 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 125.278 1.431 . . . . 0.0 109.907 178.062 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.791 0.805 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -70.76 128.17 35.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.0 pt -141.08 164.21 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.837 0.855 . . . . 0.0 112.265 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . 0.489 ' SG ' ' HE3' ' A' ' 873' ' ' LYS . 13.6 m -48.14 -45.95 33.81 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.906 0.882 . . . . 0.0 112.798 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.25 -13.97 62.48 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.798 -1.189 . . . . 0.0 113.91 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -12.37 28.62 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.746 1.618 . . . . 0.0 113.213 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.92 135.47 48.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.207 1.403 . . . . 0.0 112.732 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 14.6 m -58.05 -41.88 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.835 1.254 . . . . 0.0 113.708 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -85.21 98.59 10.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.204 1.002 . . . . 0.0 111.795 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.84 -18.09 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.551 1.94 . . . . 0.0 113.945 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.29 -24.38 65.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.504 1.522 . . . . 0.0 113.407 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -132.17 14.16 4.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.953 1.301 . . . . 0.0 113.882 -174.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.7 40.09 1.01 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.938 2.095 . . . . 0.0 114.519 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.61 146.59 36.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.127 1.371 . . . . 0.0 110.553 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 75.6 m -61.31 -10.22 6.66 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.358 1.063 . . . . 0.0 112.943 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 34.9 m -93.31 -16.68 24.44 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.171 1.388 . . . . 0.0 113.439 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 9.0 mmpt? -79.41 177.02 9.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 87.5 p -97.41 -164.97 1.2 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.86 2.864 . . . . 0.0 113.123 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -150.31 167.49 26.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.04 1.736 . . . . 0.0 111.182 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.82 -34.81 68.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -146.81 135.08 21.74 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.548 1.539 . . . . 0.0 111.241 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 5.6 p -65.19 162.01 18.05 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.434 1.015 . . . . 0.0 112.811 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -66.09 -22.66 66.41 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -168.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -77.86 -5.61 51.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.915 1.286 . . . . 0.0 113.947 170.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -108.73 -45.3 3.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.991 1.716 . . . . 0.0 111.231 171.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.272 1.0 OUTLIER -78.85 14.96 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 123.608 1.671 . . . . 0.0 115.23 174.563 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -107.29 -35.77 6.72 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 120.495 -1.378 . . . . 0.0 112.825 156.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.81 -32.65 73.35 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.685 1.594 . . . . 0.0 113.478 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.45 -30.27 68.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.642 0.777 . . . . 0.0 112.563 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.91 -30.78 10.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.706 1.202 . . . . 0.0 112.852 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.8 7.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.279 1.419 . . . . 0.0 113.303 -176.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 50.1 pt . . . . . 0 N--CA 1.474 0.76 0 C-N-CA 126.073 1.749 . . . . 0.0 112.818 -172.614 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -166.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.741 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -113.83 -172.27 2.05 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.944 0.898 . . . . 0.0 111.973 -160.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -101.41 172.67 6.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.721 0.772 . . . . 0.0 111.908 170.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -146.61 141.81 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.665 1.586 . . . . 0.0 109.691 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.29 148.22 22.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.907 0.883 . . . . 0.0 111.106 175.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.79 124.15 23.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.07 0.462 . . . . 0.0 111.296 164.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.54 -4.67 12.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.405 1.482 . . . . 0.0 113.876 166.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -122.33 -16.31 7.41 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.045 1.293 . . . . 0.0 114.12 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.274 17.0 p -124.73 -110.78 0.31 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.283 1.033 . . . . 0.0 110.992 155.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -169.52 -2.13 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.605 2.362 . . . . 0.0 115.561 -173.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -53.36 153.39 3.99 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.841 1.656 . . . . 0.0 112.507 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -108.64 149.0 29.55 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.362 1.065 . . . . 0.0 113.008 170.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -131.68 133.38 44.82 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.586 1.554 . . . . 0.0 110.63 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -72.31 124.14 24.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.496 1.119 . . . . 0.0 109.781 169.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -132.55 153.35 81.12 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 125.793 1.637 . . . . 0.0 111.581 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 147.03 70.45 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.699 1.599 . . . . 0.0 112.189 171.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.437 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -54.97 -17.97 4.43 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.194 1.398 . . . . 0.0 114.142 175.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.0 m -59.24 -26.28 64.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.345 1.458 . . . . 0.0 113.282 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -27.12 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 882' ' ' VAL . . . . . 0.741 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.6 m -59.53 -29.88 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.891 0.769 . . . . 0.0 112.573 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -84.07 1.85 88.31 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.183 1.849 . . . . 0.0 115.005 173.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 27.6 t -123.96 -25.3 4.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.584 1.954 . . . . 0.0 113.132 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.546 0.81 0 O-C-N 121.263 -0.898 . . . . 0.0 109.152 166.686 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -83.28 134.34 34.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.903 1.681 . . . . 0.0 110.184 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -139.85 162.79 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.054 -1.029 . . . . 0.0 113.071 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.8 m -50.23 -42.1 51.11 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.322 1.049 . . . . 0.0 113.554 174.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 46.5 tpp -67.62 -22.26 65.35 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.122 1.328 . . . . 0.0 113.022 -177.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -13.15 49.93 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.467 1.507 . . . . 0.0 113.229 174.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.2 134.36 49.63 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.976 1.311 . . . . 0.0 112.908 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 49.3 m -56.59 -42.69 79.13 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.415 1.486 . . . . 0.0 113.74 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.54 98.51 10.17 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.037 0.935 . . . . 0.0 111.904 -173.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.55 -19.68 50.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.891 1.676 . . . . 0.0 113.696 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -65.67 -25.92 67.56 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.876 1.671 . . . . 0.0 113.527 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.05 5.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -172.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -79.7 40.69 0.46 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.59 2.756 . . . . 0.0 115.006 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -145.71 151.47 38.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.986 0.914 . . . . 0.0 110.685 163.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.2 -14.18 3.9 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 124.336 1.054 . . . . 0.0 112.099 165.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 48.8 m -94.75 -19.44 20.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.206 1.402 . . . . 0.0 113.036 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.71 175.88 8.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.703 0.801 . . . . 0.0 113.103 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 97.0 p -82.93 -168.03 1.9 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.567 2.347 . . . . 0.0 113.935 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -153.22 164.0 38.87 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.688 2.795 . . . . 0.0 109.247 169.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -68.35 -30.18 69.08 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.71 -1.244 . . . . 0.0 113.76 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.3 mtt -144.88 125.85 14.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.841 0.856 . . . . 0.0 110.97 175.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -62.5 159.99 14.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.59 -29.78 64.76 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -165.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.49 -3.91 59.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.264 1.826 . . . . 0.0 115.04 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -103.67 -37.13 7.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.02 1.728 . . . . 0.0 113.014 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.5 tp -63.72 -55.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.956 1.253 . . . . 0.0 110.638 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -53.95 -29.82 44.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.938 -1.101 . . . . 0.0 113.486 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.23 -34.81 78.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.884 1.674 . . . . 0.0 114.258 171.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -65.77 -37.14 85.51 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.001 0.819 . . . . 0.0 112.125 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.3 -28.86 47.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.102 0.961 . . . . 0.0 112.361 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.33 36.9 6.82 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.66 1.6 . . . . 0.0 113.547 178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 27.9 pt . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 126.201 1.8 . . . . 0.0 112.407 -168.648 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 121.31 0.576 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 124.464 1.106 . . . . 0.0 111.647 175.858 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 48.9 m -79.69 -5.71 55.71 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -82.71 56.71 3.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.701 2.0 . . . . 0.0 109.887 171.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -57.97 155.73 10.3 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.469 1.508 . . . . 0.0 113.123 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -67.42 156.93 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -165.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 56.1 p 56.72 177.34 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 128.117 2.567 . . . . 0.0 115.044 -172.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 8.1 p -159.18 156.05 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.827 1.651 . . . . 0.0 110.637 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -91.72 -141.4 9.88 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.464 1.03 . . . . 0.0 112.015 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 42.3 m -152.57 147.89 26.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.172 1.789 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 58.78 175.85 0.07 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.717 1.607 . . . . 0.0 115.164 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -103.43 -43.65 5.35 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.645 1.578 . . . . 0.0 111.766 170.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 862' ' ' GLU . 0.2 OUTLIER 55.12 -152.33 0.36 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 126.173 1.789 . . . . 0.0 112.436 178.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . 0.449 ' H ' HG22 ' A' ' 861' ' ' THR . 66.2 mt-10 -73.75 -178.75 3.3 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.49 1.516 . . . . 0.0 112.307 169.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 46.9 m -45.35 136.08 5.62 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.857 1.663 . . . . 0.0 114.625 -173.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -120.59 -178.57 3.74 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.592 1.557 . . . . 0.0 112.807 -160.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . 0.422 ' CZ2' ' HD3' ' A' ' 876' ' ' ARG . 71.1 m95 -102.67 173.03 6.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.503 0.668 . . . . 0.0 111.472 160.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.98 143.15 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.293 1.437 . . . . 0.0 110.415 164.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.48 144.51 25.49 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.345 1.458 . . . . 0.0 110.887 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.99 125.61 27.33 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.15 0.5 . . . . 0.0 111.045 162.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -82.32 1.49 36.74 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 168.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -103.01 -28.67 11.86 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.178 -0.951 . . . . 0.0 112.519 174.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.262 16.5 p -121.46 -110.15 0.34 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.269 1.428 . . . . 0.0 110.632 159.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.61 -6.2 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.337 2.255 . . . . 0.0 115.888 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.598 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.1 tmmm? -47.91 149.92 1.24 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.957 2.103 . . . . 0.0 112.541 171.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.428 ' CE2' HCM1 ' B' ' 4' ' ' MLZ . 78.6 m95 -112.21 153.8 26.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.023 0.929 . . . . 0.0 113.374 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.98 138.6 30.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.961 1.304 . . . . 0.0 110.759 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . 0.422 ' HD3' ' CZ2' ' A' ' 865' ' ' TRP . 8.1 tpt180 -77.92 128.83 34.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.562 1.145 . . . . 0.0 109.751 174.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.54 155.1 81.9 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 125.494 1.518 . . . . 0.0 111.998 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -67.25 149.76 81.44 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 121.416 1.411 . . . . 0.0 110.68 164.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.01 46.62 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.1 m -62.46 -25.47 68.0 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.092 -1.005 . . . . 0.0 112.688 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.8 t -86.45 -38.8 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.829 0.852 . . . . 0.0 110.631 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -20.41 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.9 0.773 . . . . 0.0 112.753 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.12 -18.32 65.17 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.897 1.236 . . . . 0.0 114.269 170.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -89.57 -41.69 11.85 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 112.082 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.12 115.58 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 125.556 1.543 . . . . 0.0 109.043 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -89.21 173.11 8.59 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.22 1.408 . . . . 0.0 110.559 164.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -59.43 -35.83 74.74 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.431 -1.418 . . . . 0.0 111.566 170.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 21.6 t -74.22 -19.9 60.37 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 33.3 m -71.58 120.2 16.82 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.272 -0.893 . . . . 0.0 110.673 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -85.02 84.14 7.82 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.603 0.716 . . . . 0.0 111.239 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -82.35 131.72 35.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.149 174.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.9 pt -140.98 162.91 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.168 0.987 . . . . 0.0 112.09 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.598 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.8 m -50.18 -45.69 53.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -62.59 -26.0 68.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.755 1.161 . . . . 0.0 112.442 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -13.44 52.5 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.643 1.577 . . . . 0.0 113.49 176.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -54.58 137.95 42.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.009 1.324 . . . . 0.0 112.881 -172.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 68.7 m -55.36 -44.39 75.93 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.252 1.421 . . . . 0.0 113.83 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -91.02 102.66 15.43 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.536 1.134 . . . . 0.0 112.079 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -59.99 -19.31 51.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.944 1.698 . . . . 0.0 113.86 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -67.19 -24.03 65.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.725 1.61 . . . . 0.0 113.033 172.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -127.68 3.44 6.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.23 41.14 0.59 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.043 2.537 . . . . 0.0 114.94 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.55 150.96 33.07 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.103 1.361 . . . . 0.0 111.83 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.7 m -57.02 -21.52 31.6 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.674 1.59 . . . . 0.0 112.283 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 59.9 m -89.65 -17.55 28.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.381 1.472 . . . . 0.0 113.481 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.0 170.75 16.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.747 0.819 . . . . 0.0 113.098 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -83.31 -163.12 0.7 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.31 1.444 . . . . 0.0 112.457 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -149.25 166.26 29.44 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.256 1.823 . . . . 0.0 112.459 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -67.21 -30.14 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -153.94 130.65 10.78 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.744 1.618 . . . . 0.0 110.163 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -63.69 155.75 29.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.509 0.723 . . . . 0.0 111.318 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -59.33 -34.0 71.82 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -163.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -80.41 -11.6 59.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.439 1.496 . . . . 0.0 114.265 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -93.02 -44.57 8.34 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.588 1.555 . . . . 0.0 111.113 172.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.48 ' CG1' HCM3 ' B' ' 4' ' ' MLZ . 2.5 tp -65.4 -53.53 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.441 0.564 . . . . 0.0 111.742 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -56.03 -29.74 60.87 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 120.359 -1.463 . . . . 0.0 113.41 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -70.5 -35.3 73.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.264 1.826 . . . . 0.0 114.321 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.87 -37.73 88.6 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.484 1.113 . . . . 0.0 112.361 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.93 -34.78 51.12 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.815 0.846 . . . . 0.0 112.097 171.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.07 5.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.639 1.59 . . . . 0.0 113.168 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.1 pt -135.08 167.31 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.565 1.546 . . . . 0.0 113.488 -166.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -90.13 37.16 3.4 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.992 1.758 . . . . 0.0 115.37 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -70.05 160.38 32.09 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.763 1.282 . . . . 0.0 111.032 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 7.2 t70 73.51 -15.13 0.58 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.666 2.787 . . . . 0.0 115.363 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -56.56 -25.59 52.7 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.283 1.833 . . . . 0.0 113.703 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -50.85 -38.29 48.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.911 2.085 . . . . 0.0 114.474 170.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 59.01 7.23 0.78 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.468 1.907 . . . . 0.0 114.835 -167.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 C-N-CA 125.947 1.699 . . . . 0.0 113.254 -176.339 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.74 122.38 19.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.103 0.961 . . . . 0.0 110.448 171.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.9 t -156.53 -164.62 1.7 Allowed 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.981 0.809 . . . . 0.0 112.817 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.48 HCM3 ' CG1' ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -148.32 128.05 13.36 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.392 1.092 . . . . 0.0 113.608 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.43 130.8 45.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.965 2.106 . . . . 0.0 114.415 -170.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.15 50.78 1.92 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.204 1.801 . . . . 0.0 112.036 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -140.96 102.19 4.21 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.539 1.936 . . . . 0.0 110.645 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.273 1.829 . . . . 0.0 112.564 174.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 59.9 p -152.65 -175.21 5.2 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.087 1.355 . . . . 0.0 111.838 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -68.1 -21.51 64.95 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -175.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . 0.411 ' HD2' ' H ' ' A' ' 853' ' ' ARG . 0.0 OUTLIER -86.16 171.54 11.24 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.29 0.95 . . . . 0.0 112.381 -179.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -147.38 167.27 24.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.532 1.533 . . . . 0.0 112.031 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 75.5 p -106.78 169.78 8.33 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.992 2.117 . . . . 0.0 113.379 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 7.1 p -156.31 154.77 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.201 1.8 . . . . 0.0 110.203 170.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -64.69 -42.19 97.34 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 123.746 0.689 . . . . 0.0 114.105 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 8.4 t 60.2 177.73 0.09 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.686 1.994 . . . . 0.0 114.209 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -140.02 144.77 37.09 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 127.104 2.162 . . . . 0.0 109.464 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -64.68 -60.03 3.58 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -168.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . 0.616 HG22 ' H ' ' A' ' 862' ' ' GLU . 17.3 m 56.54 -166.21 0.13 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.244 1.018 . . . . 0.0 110.893 -167.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . 0.616 ' H ' HG22 ' A' ' 861' ' ' THR . 44.1 tt0 -81.35 -33.29 32.53 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 119.335 -2.103 . . . . 0.0 112.556 168.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 94.5 p -149.45 154.45 38.85 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.985 2.114 . . . . 0.0 110.022 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -147.17 178.91 8.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.556 1.142 . . . . 0.0 111.053 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -97.08 175.38 6.33 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.9 -1.125 . . . . 0.0 114.014 170.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.3 p -151.45 143.19 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 127.068 2.147 . . . . 0.0 110.03 168.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -93.13 137.26 32.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.24 1.016 . . . . 0.0 111.526 171.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.74 123.35 19.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.963 0.905 . . . . 0.0 111.643 170.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.65 -16.42 60.93 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.076 1.351 . . . . 0.0 114.116 171.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -101.55 -15.77 16.99 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.719 1.145 . . . . 0.0 113.518 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.32 -106.39 0.37 Allowed 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.941 1.696 . . . . 0.0 111.535 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 52.3 p90 169.46 -18.88 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.983 1 C-N-CA 133.322 4.649 . . . . 0.0 108.967 -167.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.462 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -37.71 137.05 0.49 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.707 2.803 . . . . 0.0 111.825 167.501 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -103.11 155.27 18.52 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.461 1.104 . . . . 0.0 111.398 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -146.28 133.94 21.06 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.152 0.981 . . . . 0.0 110.88 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -84.95 108.78 17.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.393 1.477 . . . . 0.0 109.186 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 45.0 pt -110.94 156.04 41.45 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 128.287 2.635 . . . . 0.0 110.943 -174.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.97 147.58 80.44 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 121.186 1.257 . . . . 0.0 110.939 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.35 -21.78 16.68 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.2 m -62.61 -24.99 67.86 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.203 -0.936 . . . . 0.0 112.606 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.29 -38.37 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.172 0.989 . . . . 0.0 110.864 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -23.35 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.02 0.827 . . . . 0.0 112.586 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -80.35 -19.85 68.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.599 1.095 . . . . 0.0 114.292 172.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.8 t -88.33 -41.48 12.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.042 1.337 . . . . 0.0 112.251 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.38 135.3 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.401 1.48 . . . . 0.0 110.496 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -146.51 179.98 7.16 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.784 1.634 . . . . 0.0 112.237 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.15 -26.83 61.2 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.718 1.207 . . . . 0.0 112.855 169.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 85.4 p -82.26 -13.74 56.57 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 37.0 m -80.18 164.25 23.43 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.09 1.356 . . . . 0.0 113.514 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -137.62 66.27 1.46 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.307 1.843 . . . . 0.0 110.283 173.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -72.28 130.53 41.0 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.935 0.894 . . . . 0.0 110.024 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.8 pt -140.35 163.71 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.846 0.858 . . . . 0.0 112.762 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.462 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 17.9 m -48.53 -44.01 35.91 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.022 0.929 . . . . 0.0 113.176 175.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.72 -24.59 67.75 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.941 1.246 . . . . 0.0 113.098 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -11.22 46.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.569 1.548 . . . . 0.0 113.506 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -53.55 137.18 37.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.168 1.387 . . . . 0.0 113.031 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.6 m -55.59 -44.86 77.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.082 1.353 . . . . 0.0 113.834 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.95 102.26 14.96 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.877 1.271 . . . . 0.0 112.086 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -60.74 -17.47 48.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.069 1.748 . . . . 0.0 114.006 -174.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.21 -23.25 66.4 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.555 1.542 . . . . 0.0 113.649 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -131.09 7.08 4.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 114.746 -173.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -86.56 42.01 0.98 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.109 2.163 . . . . 0.0 114.193 -167.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.13 146.21 36.74 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.942 1.297 . . . . 0.0 110.701 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.42 -16.55 37.01 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.299 1.04 . . . . 0.0 112.349 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.6 m -92.24 -16.72 25.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.441 1.497 . . . . 0.0 113.75 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 4.8 mmpt? -78.7 171.44 15.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 122.787 1.279 . . . . 0.0 113.862 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 98.2 p -78.88 -165.26 0.71 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 128.508 2.723 . . . . 0.0 112.571 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -147.16 173.46 12.49 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.802 1.641 . . . . 0.0 112.23 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -29.28 70.01 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.591 1.156 . . . . 0.0 113.228 -174.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 59.0 mtt -158.98 136.31 9.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.149 2.179 . . . . 0.0 110.091 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.4 m -62.2 154.75 26.47 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.109 1.322 . . . . 0.0 111.158 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -56.77 -35.69 68.96 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.627 -0.67 . . . . 0.0 112.652 -169.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.23 -11.27 59.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.278 1.431 . . . . 0.0 114.074 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -99.55 -37.97 8.95 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.711 1.605 . . . . 0.0 112.321 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -56.23 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 119.154 0.888 . . . . 0.0 111.416 173.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -51.4 -32.14 25.18 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 119.88 1.218 . . . . 0.0 113.671 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.29 -37.95 78.97 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.195 2.198 . . . . 0.0 114.355 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.37 -40.71 98.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.259 1.424 . . . . 0.0 112.72 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 919' ' ' LEU . 1.6 mp -85.96 -24.43 26.52 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.543 0.737 . . . . 0.0 111.984 174.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.52 40.57 4.42 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.361 1.457 . . . . 0.0 113.184 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 46.2 pt -131.38 170.66 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.34 1.856 . . . . 0.0 111.972 -172.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -88.61 -24.38 33.42 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.055 0.836 . . . . 0.0 115.161 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 59.23 170.61 0.07 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.432 1.493 . . . . 0.0 112.669 -153.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -108.74 -23.21 11.88 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.19 -35.02 75.82 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . 62.9 -43.07 0.19 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 130.115 3.366 . . . . 0.0 115.69 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -81.74 4.17 22.94 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.573 1.949 . . . . 0.0 114.392 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.533 1.533 . . . . 0.0 113.321 177.31 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 119.272 -0.394 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 154.24 1.3 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.652 1.581 . . . . 0.0 114.286 -176.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -168.01 -159.16 0.28 Allowed 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -168.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -137.56 98.49 3.7 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -170.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -67.7 130.16 42.16 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.426 1.091 . . . . 0.0 112.88 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.43 17.14 13.83 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.356 1.463 . . . . 0.0 113.654 -176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.08 40.86 2.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.292 1.437 . . . . 0.0 113.407 -177.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.032 1.733 . . . . 0.0 112.278 176.56 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.434 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 14.8 m -70.04 -7.54 41.95 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -167.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -78.47 50.01 0.91 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.282 2.233 . . . . 0.0 111.106 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -70.49 -37.36 74.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.11 1.364 . . . . 0.0 113.725 -172.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 56.77 169.36 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.707 2.403 . . . . 0.0 115.322 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 67.6 p 25.51 -136.08 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.013 2.925 . . . . 0.0 118.164 160.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 34.4 m -137.05 164.76 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -148.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -155.27 128.19 2.23 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 127.853 2.644 . . . . 0.0 108.529 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 36.7 m -149.96 146.82 27.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.88 1.672 . . . . 0.0 110.381 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -76.96 132.73 39.18 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.515 -0.74 . . . . 0.0 111.919 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -137.02 -49.19 0.62 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.66 1.584 . . . . 0.0 111.655 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.27 134.13 16.82 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.237 1.415 . . . . 0.0 112.877 177.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 55.19 162.16 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.734 2.814 . . . . 0.0 118.306 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 69.4 m -50.46 134.62 23.49 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.446 1.498 . . . . 0.0 110.921 164.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -128.49 -174.13 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.909 1.284 . . . . 0.0 111.45 -152.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -104.94 172.58 6.71 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 169.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.8 p -147.55 144.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.503 1.921 . . . . 0.0 110.263 168.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -87.03 139.3 30.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.036 0.934 . . . . 0.0 110.816 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.46 126.01 29.22 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.344 0.657 . . . . 0.0 111.439 170.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -64.22 -29.62 70.71 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -85.23 -51.44 6.61 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.887 0.875 . . . . 0.0 111.185 -170.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.297 17.0 p -92.26 -104.09 0.11 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.328 0.651 . . . . 0.0 110.578 165.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . 0.4 ' H ' ' H ' ' A' ' 873' ' ' LYS . 38.7 p90 -177.12 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.563 2.745 . . . . 0.0 114.243 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.4 ' H ' ' H ' ' A' ' 872' ' ' PHE . 17.7 ttpt -45.73 150.53 0.51 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.135 2.174 . . . . 0.0 113.651 176.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.471 ' CH2' ' HE2' ' B' ' 4' ' ' MLZ . 77.8 m95 -95.1 148.58 22.21 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.277 0.631 . . . . 0.0 111.972 168.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -139.79 135.16 32.76 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 111.104 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -76.72 131.79 38.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.7 pt -136.17 157.91 74.71 Favored Pre-proline 0 N--CA 1.473 0.684 0 C-N-CA 127.01 2.124 . . . . 0.0 111.62 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -66.69 148.8 83.57 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 121.452 1.435 . . . . 0.0 111.164 165.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.17 -20.85 57.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.43 -25.2 68.17 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.266 -0.896 . . . . 0.0 112.689 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.99 -37.3 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.703 0.801 . . . . 0.0 110.479 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -17.99 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.134 0.879 . . . . 0.0 113.125 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.99 -19.69 62.54 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.552 1.072 . . . . 0.0 114.101 168.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -87.96 -45.55 10.13 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.006 1.323 . . . . 0.0 112.219 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp -78.83 118.88 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.428 1.491 . . . . 0.0 108.61 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -121.88 -159.0 0.8 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -173.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -49.35 -29.67 6.51 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.335 1.454 . . . . 0.0 113.277 169.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 78.5 p -134.36 -5.51 2.62 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 -169.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 50.8 m -57.73 172.3 0.39 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.511 1.524 . . . . 0.0 113.95 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -127.53 131.46 50.06 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 125.128 1.371 . . . . 0.0 112.104 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -143.8 134.72 25.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.748 2.019 . . . . 0.0 112.699 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 23.5 pt -141.09 162.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.598 1.159 . . . . 0.0 112.515 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 65.4 m -49.09 -43.76 41.51 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.003 0.921 . . . . 0.0 113.479 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.9 tpp -62.13 -25.25 67.63 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.349 1.431 . . . . 0.0 112.827 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -11.28 50.01 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.769 1.628 . . . . 0.0 113.747 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -52.69 135.44 35.05 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.487 1.515 . . . . 0.0 112.982 -173.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 50.9 m -52.79 -43.4 65.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.11 1.764 . . . . 0.0 114.091 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.93 105.56 17.91 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.112 0.965 . . . . 0.0 112.35 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -59.94 -16.11 27.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.298 1.839 . . . . 0.0 113.382 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.5 -25.45 67.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.643 1.977 . . . . 0.0 112.542 171.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -139.78 21.17 2.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.39 1.476 . . . . 0.0 113.496 -173.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.56 41.01 1.04 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.886 1.674 . . . . 0.0 114.261 -172.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -147.13 146.75 30.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.791 1.636 . . . . 0.0 110.607 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 70.8 m -56.67 -26.02 55.35 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 121.574 -0.704 . . . . 0.0 111.62 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.6 m -83.66 -19.39 35.46 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.948 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -72.92 176.3 5.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.377 1.071 . . . . 0.0 113.303 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 10.0 t -80.52 -162.09 0.43 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.726 1.21 . . . . 0.0 112.023 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -150.57 163.74 37.72 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.438 1.895 . . . . 0.0 111.241 173.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.29 -31.16 72.24 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.8 mtt -154.3 131.68 11.23 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.757 1.623 . . . . 0.0 110.377 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.17 159.21 15.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 0.0 111.178 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.08 -29.53 70.66 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.037 -1.04 . . . . 0.0 112.289 -169.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -74.92 -7.36 53.33 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.379 1.472 . . . . 0.0 114.382 173.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -105.32 -43.63 4.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 111.025 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.526 HG13 ' HZ ' ' B' ' 4' ' ' MLZ . 1.0 OUTLIER -79.38 7.7 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 178.553 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 120.01 -1.681 . . . . 0.0 112.918 156.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.98 -34.14 77.42 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.192 1.397 . . . . 0.0 113.867 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -63.23 -33.0 74.55 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.8 mp -94.44 -27.68 15.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.049 0.94 . . . . 0.0 112.285 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 92.94 31.92 8.27 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.107 1.337 . . . . 0.0 113.107 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 48.8 pt -105.23 166.5 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.369 1.867 . . . . 0.0 112.062 -175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -99.91 27.45 20.2 Favored Glycine 0 N--CA 1.473 1.162 0 C-N-CA 125.549 1.547 . . . . 0.0 115.188 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.29 160.05 25.3 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -172.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 67.47 -8.32 0.49 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 128.478 2.711 . . . . 0.0 115.602 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 56.87 -62.94 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 1 C-N-CA 131.963 4.105 . . . . 0.0 115.855 167.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -68.89 -46.92 67.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.834 1.254 . . . . 0.0 110.595 164.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 22.2 t0 55.34 11.53 0.59 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.617 1.967 . . . . 0.0 114.699 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.305 1.842 . . . . 0.0 113.46 177.105 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -59.06 131.39 50.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.016 1.726 . . . . 0.0 110.746 175.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.5 t -153.58 -167.51 2.71 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 161.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.526 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -143.44 106.43 4.51 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p -76.97 128.69 34.99 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.24 1.416 . . . . 0.0 112.588 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.87 41.96 0.52 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.547 1.539 . . . . 0.0 113.12 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -142.59 98.6 3.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.94 2.096 . . . . 0.0 109.857 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 38.6 t80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.208 1.403 . . . . 0.0 112.131 -174.335 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 23.0 t -64.96 153.38 40.72 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.062 0.945 . . . . 0.0 113.137 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 57.28 24.73 10.29 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 127.36 2.264 . . . . 0.0 115.573 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -18.68 62.17 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.781 1.232 . . . . 0.0 113.12 168.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -98.68 142.96 29.59 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 172.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 88.7 p -170.76 -178.85 2.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.231 3.012 . . . . 0.0 110.253 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.22 163.62 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 125.633 1.573 . . . . 0.0 111.894 172.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -89.41 -135.96 5.82 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.164 1.364 . . . . 0.0 112.974 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.8 t -102.2 166.63 10.48 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.584 1.554 . . . . 0.0 112.705 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -94.87 0.08 54.48 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.376 1.47 . . . . 0.0 114.91 171.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -76.1 -50.68 14.01 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 127.506 2.322 . . . . 0.0 112.555 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 1.7 m -64.95 153.5 40.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.594 1.558 . . . . 0.0 112.626 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -159.29 0.12 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.1 0.96 . . . . 0.0 111.906 172.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 82.2 p -46.63 135.21 8.9 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.241 1.416 . . . . 0.0 113.805 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.44 -175.93 3.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.198 1.399 . . . . 0.0 111.128 -165.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -105.61 176.67 5.09 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.49 -0.756 . . . . 0.0 112.599 171.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.86 140.04 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.427 1.491 . . . . 0.0 110.746 165.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 16.8 ttt85 -93.02 140.17 29.76 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.895 1.278 . . . . 0.0 110.231 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.8 t -68.42 128.37 36.35 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.908 0.883 . . . . 0.0 112.981 172.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.1 -13.91 62.42 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 169.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -99.54 -27.2 13.82 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.59 1.086 . . . . 0.0 112.793 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 16.6 p -123.74 -103.2 0.38 Allowed 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 124.819 1.248 . . . . 0.0 111.867 165.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -175.08 -11.13 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.195 2.598 . . . . 0.0 114.509 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.551 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 1.8 tmmm? -48.1 146.94 2.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.854 2.062 . . . . 0.0 112.85 175.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.521 ' CH2' ' HE2' ' B' ' 4' ' ' MLZ . 89.5 m95 -102.59 151.14 22.68 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.057 0.943 . . . . 0.0 113.232 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -142.58 135.38 28.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.997 1.319 . . . . 0.0 110.58 174.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -76.52 127.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.833 1.253 . . . . 0.0 109.639 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 36.6 pt -131.04 153.96 81.9 Favored Pre-proline 0 N--CA 1.471 0.622 0 C-N-CA 125.971 1.708 . . . . 0.0 111.667 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -67.88 150.81 78.59 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.231 1.287 . . . . 0.0 110.533 165.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.89 -22.78 27.52 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -60.58 -28.8 68.76 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.742 1.217 . . . . 0.0 112.563 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 89.3 t -86.63 -38.46 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -19.47 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.115 0.871 . . . . 0.0 112.887 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.12 -23.26 38.48 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 125.13 1.348 . . . . 0.0 114.436 169.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.7 t -80.74 -37.87 29.73 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.786 1.235 . . . . 0.0 112.174 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.91 120.74 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.733 1.613 . . . . 0.0 107.486 169.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.09 171.04 12.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.798 1.239 . . . . 0.0 111.869 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -55.56 -22.99 24.36 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.107 1.363 . . . . 0.0 113.933 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 88.7 p -118.56 3.36 11.77 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.399 1.88 . . . . 0.0 114.691 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 44.3 m -66.54 129.97 41.62 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.726 1.148 . . . . 0.0 112.859 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.51 76.21 9.38 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.299 1.44 . . . . 0.0 111.796 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -77.51 132.39 38.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.426 0.691 . . . . 0.0 109.672 172.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.7 pt -139.68 162.1 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.844 0.857 . . . . 0.0 112.852 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.551 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 64.5 m -49.88 -41.88 46.51 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.489 1.116 . . . . 0.0 113.964 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.01 -31.52 70.01 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.918 1.236 . . . . 0.0 112.214 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -11.37 57.12 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.922 1.689 . . . . 0.0 113.382 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -53.31 138.0 33.58 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.201 1.4 . . . . 0.0 113.011 -172.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -53.13 -43.65 67.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.263 1.425 . . . . 0.0 114.172 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.37 103.99 15.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.983 1.313 . . . . 0.0 111.692 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.74 -20.94 59.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.653 1.581 . . . . 0.0 113.611 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -67.2 -23.76 65.78 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.882 1.673 . . . . 0.0 114.018 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -124.85 5.29 8.06 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.321 1.448 . . . . 0.0 114.359 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.95 41.37 0.74 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.785 2.434 . . . . 0.0 114.706 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.11 152.89 36.93 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.217 1.007 . . . . 0.0 111.895 164.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 65.3 m -56.41 -19.02 13.0 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.284 1.833 . . . . 0.0 112.274 171.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.9 m -89.32 -20.45 24.03 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.716 1.606 . . . . 0.0 112.383 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -80.93 173.5 12.55 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.392 1.091 . . . . 0.0 113.426 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 90.5 p -82.48 -166.67 1.34 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.582 2.353 . . . . 0.0 113.339 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -149.01 166.18 29.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.827 2.051 . . . . 0.0 110.932 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.37 -33.62 76.28 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 25.0 mmt -150.37 131.94 14.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.92 1.688 . . . . 0.0 111.169 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.2 m -62.2 160.93 12.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.106 0.963 . . . . 0.0 111.381 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -22.89 63.21 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.76 -1.212 . . . . 0.0 112.37 -167.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.45 -19.19 62.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.079 1.351 . . . . 0.0 113.483 168.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -97.41 -45.06 6.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.254 1.421 . . . . 0.0 111.72 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.495 HG13 ' HZ ' ' B' ' 4' ' ' MLZ 0.287 1.4 tp -79.2 15.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.699 1.741 . . . . 0.0 115.699 175.603 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.9 p30 -106.43 -34.99 7.24 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.513 -1.367 . . . . 0.0 112.916 154.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -68.24 -32.59 72.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.455 . . . . 0.0 113.956 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -61.12 -30.26 70.27 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.945 0.898 . . . . 0.0 112.506 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.55 -33.72 10.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.358 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.74 40.38 4.41 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.137 1.351 . . . . 0.0 112.862 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 45.2 pt -115.92 168.54 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.264 1.826 . . . . 0.0 112.265 -174.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -92.94 -7.85 62.29 Favored Glycine 0 N--CA 1.473 1.11 0 N-CA-C 116.997 1.559 . . . . 0.0 116.997 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -58.63 142.15 50.33 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.062 0.934 . . . . 0.0 113.372 -169.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 59.47 -3.74 0.1 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.856 2.862 . . . . 0.0 116.674 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 61.77 -44.72 0.15 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 131.459 3.904 . . . . 0.0 117.643 168.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -142.68 -44.19 0.31 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.502 1.521 . . . . 0.0 113.628 -168.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 19.8 t0 58.23 11.41 1.56 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.646 1.578 . . . . 0.0 114.505 -168.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.374 0 C-N-CA 126.023 1.729 . . . . 0.0 113.446 176.792 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 867' ' ' ARG . . . . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 118.825 -0.607 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 155.19 7.41 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.054 0.942 . . . . 0.0 112.187 -171.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.9 t -158.74 -164.22 1.4 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -169.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.521 ' HE2' ' CH2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -112.39 95.02 5.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.6 1.16 . . . . 0.0 110.643 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.71 134.34 56.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.451 1.5 . . . . 0.0 114.472 -170.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.81 17.36 16.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.226 1.81 . . . . 0.0 113.227 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.16 120.03 14.36 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 127.462 2.305 . . . . 0.0 108.155 -176.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.53 2.332 . . . . 0.0 112.27 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 17.7 m -76.64 47.24 0.48 Allowed 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.09 1.756 . . . . 0.0 115.038 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -61.88 -14.86 37.82 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.641 1.577 . . . . 0.0 114.469 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -61.36 -35.89 78.71 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.517 1.527 . . . . 0.0 112.634 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -91.39 149.98 21.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.031 0.933 . . . . 0.0 113.012 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 90.6 p -174.73 176.65 2.22 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.186 2.195 . . . . 0.0 111.568 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.2 m -62.23 170.55 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.744 1.618 . . . . 0.0 113.198 168.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -78.84 -138.61 1.49 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.72 1.153 . . . . 0.0 112.09 170.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 83.8 p -158.54 165.81 33.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.131 1.373 . . . . 0.0 112.866 -173.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.2 152.25 46.08 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.648 -0.657 . . . . 0.0 110.715 163.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -53.49 -48.01 69.33 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.384 1.073 . . . . 0.0 113.752 -162.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 862' ' ' GLU . 17.4 m 58.34 -167.46 0.14 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.315 1.046 . . . . 0.0 111.385 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . 0.524 ' H ' HG22 ' A' ' 861' ' ' THR . 16.3 tt0 -76.82 169.64 17.93 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 119.602 -1.936 . . . . 0.0 111.118 158.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 45.3 m -51.99 136.23 29.34 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.553 1.541 . . . . 0.0 113.453 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -142.84 176.95 8.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.992 0.917 . . . . 0.0 112.671 -159.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . 0.418 ' HE1' ' HG1' ' B' ' 6' ' ' THR . 72.6 m95 -88.2 170.41 11.05 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.766 -1.209 . . . . 0.0 113.713 175.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.22 142.64 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 109.39 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -89.66 142.2 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.227 1.411 . . . . 0.0 111.534 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 53.3 t -67.1 122.78 18.56 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.254 0.622 . . . . 0.0 111.512 165.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.52 -11.88 61.09 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -97.74 -28.21 13.99 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.426 1.012 . . . . 0.0 113.023 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.296 12.1 p -127.53 -96.76 0.41 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.645 1.178 . . . . 0.0 112.129 170.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -165.84 -17.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.141 2.176 . . . . 0.0 114.133 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.13 134.32 0.82 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.047 2.139 . . . . 0.0 113.383 -175.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.565 ' CD2' HCM2 ' B' ' 4' ' ' MLZ . 67.4 m95 -102.74 147.69 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.677 0.791 . . . . 0.0 111.247 -176.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -144.67 137.2 26.45 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.44 1.496 . . . . 0.0 110.335 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.69 119.36 25.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.4 1.08 . . . . 0.0 109.592 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.1 pt -121.34 158.15 54.12 Favored Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 127.692 2.397 . . . . 0.0 110.554 -173.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.22 147.66 73.03 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 120.863 1.042 . . . . 0.0 111.819 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -48.94 -30.99 6.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.988 1.715 . . . . 0.0 114.644 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.6 m -58.23 -27.59 64.08 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.07 1.348 . . . . 0.0 112.844 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 6.2 t -97.73 -30.72 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.308 -0.854 . . . . 0.0 111.933 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -26.22 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 120.19 1.359 . . . . 0.0 112.594 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.59 -15.91 69.78 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 124.49 1.043 . . . . 0.0 114.979 170.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 31.1 t -90.0 -38.22 13.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.491 1.516 . . . . 0.0 112.303 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 7.7 mt -59.27 144.43 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.381 1.472 . . . . 0.0 110.055 166.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -170.17 176.82 4.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.337 1.455 . . . . 0.0 112.234 -173.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.24 -27.54 69.12 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.222 1.009 . . . . 0.0 112.719 169.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 88.1 p -80.1 -20.04 45.99 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.204 1.001 . . . . 0.0 113.005 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 10.5 t -85.36 -179.64 7.0 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.549 1.539 . . . . 0.0 111.328 170.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -149.79 99.96 2.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.819 1.247 . . . . 0.0 110.144 168.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -88.36 128.8 35.51 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.9 163.48 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.974 0.91 . . . . 0.0 111.934 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 60.0 m -49.26 -45.24 44.53 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -20.6 66.57 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.774 1.17 . . . . 0.0 112.954 -175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -12.37 42.74 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.016 1.726 . . . . 0.0 113.28 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -53.92 133.27 43.04 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.845 1.258 . . . . 0.0 112.485 -173.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 5.7 m -58.1 -38.75 77.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 113.279 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -87.83 96.16 10.36 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.297 1.046 . . . . 0.0 110.987 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.51 -16.61 38.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.393 1.877 . . . . 0.0 113.865 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -67.98 -23.7 65.06 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.393 1.877 . . . . 0.0 113.407 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -132.84 14.7 4.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.339 1.456 . . . . 0.0 113.14 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.47 38.44 0.9 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.489 1.916 . . . . 0.0 114.251 -167.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.34 147.6 33.67 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.42 1.488 . . . . 0.0 110.415 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.5 -18.28 27.81 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 124.46 1.104 . . . . 0.0 112.349 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 23.8 m -88.75 -22.03 23.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.934 1.694 . . . . 0.0 112.971 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -77.65 173.15 12.36 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.618 1.199 . . . . 0.0 113.421 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 95.6 p -83.25 -169.5 2.57 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 128.227 2.611 . . . . 0.0 112.813 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -147.44 170.09 18.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.422 1.889 . . . . 0.0 111.191 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -33.84 64.17 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.416 1.086 . . . . 0.0 113.668 -176.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.6 mtt -152.6 135.86 15.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.246 1.419 . . . . 0.0 111.174 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.7 m -61.31 155.12 22.02 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.256 0.934 . . . . 0.0 110.677 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -57.82 -36.75 72.68 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.857 0.463 . . . . 0.0 112.126 -161.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.34 -12.6 59.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.876 1.671 . . . . 0.0 114.485 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -90.73 -39.76 12.24 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.477 1.111 . . . . 0.0 111.888 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.254 1.9 tp -69.19 -55.14 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.19 0.904 . . . . 0.0 111.779 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -55.6 -28.13 53.37 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.036 -1.665 . . . . 0.0 114.041 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -63.6 -34.27 77.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.065 1.746 . . . . 0.0 114.422 169.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.98 -37.33 85.68 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.306 1.443 . . . . 0.0 112.286 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.14 -28.55 54.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.508 1.123 . . . . 0.0 112.77 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.14 35.31 7.65 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.913 1.72 . . . . 0.0 114.555 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt -143.19 177.44 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 127.288 2.235 . . . . 0.0 111.295 -169.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -95.65 -147.06 22.04 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.23 0.919 . . . . 0.0 110.945 162.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -154.42 168.66 25.91 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.81 2.044 . . . . 0.0 110.061 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -67.79 -32.4 72.94 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -68.53 -37.8 80.31 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.808 0.843 . . . . 0.0 112.695 174.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -71.7 -46.75 57.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.865 1.266 . . . . 0.0 112.614 175.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 26.1 t0 55.83 15.84 1.82 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.136 1.775 . . . . 0.0 114.074 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.717 2.007 . . . . 0.0 112.44 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 46.9 30.31 1.2 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.342 2.257 . . . . 0.0 115.381 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.4 t -96.83 -167.71 1.6 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 119.299 -2.126 . . . . 0.0 112.437 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.565 HCM2 ' CD2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -88.03 -47.41 8.54 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -162.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.418 ' HG1' ' HE1' ' A' ' 865' ' ' TRP . 9.5 m 60.59 -52.33 0.09 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 128.778 2.831 . . . . 0.0 117.253 -178.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.16 -61.93 0.06 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.366 2.667 . . . . 0.0 114.922 -167.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 48.35 62.92 2.29 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.419 1.888 . . . . 0.0 111.257 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 t80 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 125.631 1.572 . . . . 0.0 112.617 177.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 112.181 -0.368 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 59.9 p -154.5 -176.89 6.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.224 1.41 . . . . 0.0 111.772 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -70.94 -8.08 50.58 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.178 1.391 . . . . 0.0 114.572 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 171.47 16.3 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.469 1.507 . . . . 0.0 113.159 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 74.35 149.89 0.11 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.591 2.757 . . . . 0.0 117.356 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 77.9 p -162.8 179.79 7.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 128.896 2.878 . . . . 0.0 110.274 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.93 162.13 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.059 0.944 . . . . 0.0 113.367 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -161.53 -133.67 1.52 Allowed Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.51 1.528 . . . . 0.0 111.786 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 34.8 m -146.24 146.03 30.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.466 1.507 . . . . 0.0 112.703 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -120.1 8.7 11.0 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 123.435 1.588 . . . . 0.0 114.744 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.15 -25.19 3.87 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 128.289 2.635 . . . . 0.0 114.601 -164.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 2.9 p -57.15 173.31 0.24 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.558 2.743 . . . . 0.0 114.771 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.01 173.65 0.6 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.63 1.572 . . . . 0.0 112.754 172.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 p -48.4 135.26 14.16 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.775 1.23 . . . . 0.0 112.174 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.633 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -140.92 -175.55 4.35 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.316 0.646 . . . . 0.0 112.002 -162.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -97.72 174.7 6.48 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.94 148.66 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.958 2.103 . . . . 0.0 109.671 168.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 874' ' ' TRP . 22.8 ttt85 -105.26 127.51 52.98 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.252 1.421 . . . . 0.0 110.363 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -62.32 128.15 34.69 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.947 0.899 . . . . 0.0 112.496 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -70.91 -18.97 62.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -92.67 -20.28 20.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.74 1.216 . . . . 0.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 64.3 m -119.31 -105.64 0.39 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.961 1.705 . . . . 0.0 110.879 174.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.1 p90 168.03 -15.58 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 1 C-N-CA 133.665 4.786 . . . . 0.0 109.024 -171.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.45 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 0.0 OUTLIER -34.62 136.03 0.16 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.889 2.876 . . . . 0.0 112.134 167.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.435 ' CZ3' ' HE2' ' B' ' 4' ' ' MLZ . 89.1 m95 -95.75 148.2 22.82 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.709 0.803 . . . . 0.0 111.692 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -146.41 129.05 16.12 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.796 0.838 . . . . 0.0 112.352 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 120.62 18.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.219 2.207 . . . . 0.0 109.335 168.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.6 157.87 76.34 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.355 2.262 . . . . 0.0 111.311 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -72.12 146.79 47.13 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 121.789 1.659 . . . . 0.0 112.341 171.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.487 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -56.41 -21.78 27.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 72.0 p -58.61 -24.91 62.0 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.183 -0.948 . . . . 0.0 112.799 170.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.4 t -96.92 -35.31 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.487 1.515 . . . . 0.0 111.769 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . 0.633 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.3 m -61.66 -29.08 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.203 -0.935 . . . . 0.0 112.478 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -79.99 -15.34 79.18 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.217 1.389 . . . . 0.0 114.537 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 17.9 t -94.54 -34.83 12.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.375 1.47 . . . . 0.0 112.708 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.52 129.33 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 110.568 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -131.2 174.67 9.8 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.487 2.315 . . . . 0.0 111.892 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -59.7 -29.31 68.02 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.482 -1.387 . . . . 0.0 112.919 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 80.2 p -79.0 -10.41 59.82 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.546 1.538 . . . . 0.0 114.275 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 68.1 m -76.49 167.41 21.89 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.679 1.191 . . . . 0.0 112.832 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -131.39 62.12 1.63 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.97 1.708 . . . . 0.0 111.379 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -74.91 130.55 39.6 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 110.392 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.0 pt -139.25 162.78 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.509 0.724 . . . . 0.0 112.776 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.45 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 18.5 m -49.13 -44.36 42.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.77 0.828 . . . . 0.0 112.829 174.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 67.6 mtm -66.57 -11.44 53.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.914 1.233 . . . . 0.0 114.115 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -9.37 23.31 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.022 1.729 . . . . 0.0 113.37 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -52.78 136.49 33.59 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.944 1.698 . . . . 0.0 113.204 -173.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 21.6 m -54.76 -44.97 74.11 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.21 1.404 . . . . 0.0 113.941 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -92.13 104.94 17.27 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.257 1.027 . . . . 0.0 112.289 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.13 -14.67 39.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.921 2.088 . . . . 0.0 114.082 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -63.98 -27.12 68.91 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.233 1.413 . . . . 0.0 112.624 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -135.88 18.93 3.25 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.465 1.106 . . . . 0.0 113.464 -171.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -93.81 42.96 1.1 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.494 1.917 . . . . 0.0 114.775 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -144.09 149.27 36.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.69 1.196 . . . . 0.0 110.121 164.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.69 -10.68 9.13 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.204 1.001 . . . . 0.0 112.549 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 41.1 m -91.97 -21.21 20.66 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.374 1.47 . . . . 0.0 113.154 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -77.25 171.7 14.43 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.254 1.022 . . . . 0.0 113.319 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 11.6 t -94.79 -154.11 0.41 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.039 1.735 . . . . 0.0 111.324 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.99 164.22 35.23 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.123 2.169 . . . . 0.0 111.076 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -66.4 -25.47 66.78 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -147.41 131.48 17.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.698 1.199 . . . . 0.0 110.695 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.2 m -62.79 160.12 15.1 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.975 0.807 . . . . 0.0 111.36 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -56.56 -36.17 68.98 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.325 -0.859 . . . . 0.0 112.565 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -80.1 1.11 29.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.315 1.846 . . . . 0.0 114.595 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -112.92 -38.75 4.43 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.002 2.121 . . . . 0.0 111.629 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.478 HG13 ' HZ ' ' B' ' 4' ' ' MLZ . 1.6 tp -67.86 -53.91 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.721 0.691 . . . . 0.0 111.151 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -52.45 -29.45 24.64 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 120.59 -1.319 . . . . 0.0 114.009 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -64.64 -32.65 74.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.287 2.235 . . . . 0.0 114.504 171.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -64.91 -42.34 94.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.981 1.313 . . . . 0.0 111.826 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.8 mp -82.78 -32.33 27.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.686 0.795 . . . . 0.0 112.111 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.47 44.95 4.48 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.383 1.468 . . . . 0.0 112.843 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 36.8 pt -125.77 166.85 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.974 1.71 . . . . 0.0 112.814 -171.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -124.05 92.89 0.45 Allowed Glycine 0 CA--C 1.529 0.952 0 C-N-CA 126.038 1.78 . . . . 0.0 111.041 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -69.47 159.47 33.21 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.045 0.938 . . . . 0.0 113.455 -174.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -63.78 -29.07 70.31 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.387 1.075 . . . . 0.0 112.684 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -67.91 -41.79 82.13 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.293 1.837 . . . . 0.0 112.938 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -75.03 -44.24 49.0 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.114 1.366 . . . . 0.0 113.024 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . 0.299 1.7 p30 56.11 3.01 0.09 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.874 2.87 . . . . 0.0 116.348 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.306 0 C-N-CA 126.343 1.857 . . . . 0.0 113.487 174.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 155.6 4.57 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.88 1.272 . . . . 0.0 113.362 -175.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t -156.63 -165.0 1.77 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.478 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -122.94 94.09 4.16 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.79 1.236 . . . . 0.0 111.917 -170.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.21 133.11 55.6 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.304 1.042 . . . . 0.0 111.641 174.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.39 24.34 0.8 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.49 1.116 . . . . 0.0 113.32 -174.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 -78.81 71.32 5.26 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.668 1.587 . . . . 0.0 112.109 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.302 1.441 . . . . 0.0 113.704 175.493 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.508 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 82.6 p -149.38 -179.93 7.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.079 0.952 . . . . 0.0 113.444 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? 59.07 31.36 21.25 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 126.783 2.033 . . . . 0.0 112.884 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -85.7 161.97 18.97 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.315 2.246 . . . . 0.0 113.359 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 59.2 169.53 0.07 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 128.007 2.523 . . . . 0.0 116.182 171.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 31.4 p -79.49 156.67 27.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.619 1.168 . . . . 0.0 113.256 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . 0.271 19.3 m 53.06 167.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 C-N-CA 130.003 3.321 . . . . 0.0 116.453 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 169.77 126.82 0.88 Allowed Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.467 1.508 . . . . 0.0 111.246 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 9.9 t -156.39 177.46 11.43 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.508 1.523 . . . . 0.0 111.765 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -72.43 169.35 16.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.262 1.025 . . . . 0.0 111.765 167.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -153.74 122.81 6.47 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.886 2.075 . . . . 0.0 106.641 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 1.4 p -65.55 148.26 52.03 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.315 -2.22 . . . . 0.0 111.791 160.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 58.69 157.94 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.266 1.826 . . . . 0.0 114.531 -167.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 89.8 p -49.74 135.46 19.08 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.546 1.139 . . . . 0.0 113.344 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -137.74 173.62 11.45 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.667 1.187 . . . . 0.0 110.675 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -88.49 175.5 7.56 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.672 -1.267 . . . . 0.0 112.821 169.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -149.39 144.65 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.669 1.987 . . . . 0.0 110.539 165.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.61 142.78 28.85 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.731 1.212 . . . . 0.0 111.726 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.5 122.33 21.12 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.967 0.413 . . . . 0.0 110.021 158.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.51 -21.98 64.55 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -84.36 -44.42 13.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.899 0.88 . . . . 0.0 110.539 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 65.8 m -86.8 -112.26 0.05 Allowed 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 125.345 1.458 . . . . 0.0 110.796 169.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 15.3 p90 172.9 -12.19 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.035 1 C-N-CA 132.488 4.315 . . . . 0.0 110.485 -174.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.448 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 10.7 ttpt -40.57 150.77 0.06 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.301 2.641 . . . . 0.0 113.582 165.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -110.99 152.93 26.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 112.695 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -141.07 138.05 33.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.77 1.628 . . . . 0.0 110.44 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -79.24 128.66 33.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.81 1.244 . . . . 0.0 110.26 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 40.0 pt -134.35 160.26 69.16 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.729 2.011 . . . . 0.0 112.05 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -69.51 149.43 68.45 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 121.617 1.545 . . . . 0.0 111.824 165.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -52.45 -27.23 15.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.211 1.404 . . . . 0.0 114.517 173.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.7 m -60.27 -27.33 67.17 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.933 1.293 . . . . 0.0 112.477 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.26 -38.51 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.478 1.111 . . . . 0.0 110.904 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -22.03 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.109 0.868 . . . . 0.0 112.833 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.29 -19.36 64.72 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.822 1.201 . . . . 0.0 114.25 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.3 t -88.24 -42.56 12.19 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.994 1.317 . . . . 0.0 112.14 175.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.19 136.77 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.442 1.497 . . . . 0.0 110.941 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -149.49 -179.72 7.3 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.196 1.799 . . . . 0.0 111.205 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.65 -9.28 41.88 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.471 -1.393 . . . . 0.0 113.632 170.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 90.8 p -86.53 -12.84 47.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.12 0.968 . . . . 0.0 113.383 167.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 14.9 m -88.17 170.6 10.9 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.323 1.849 . . . . 0.0 112.685 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.82 77.99 1.74 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.292 1.437 . . . . 0.0 110.369 171.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -84.72 132.48 34.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.274 0.629 . . . . 0.0 110.222 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -143.78 166.62 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.78 0.832 . . . . 0.0 112.479 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.448 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 34.4 m -48.32 -42.46 31.27 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.246 -0.909 . . . . 0.0 113.377 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.29 -24.13 66.19 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.646 1.112 . . . . 0.0 113.227 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 4.11 45.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -57.76 142.8 44.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.406 1.482 . . . . 0.0 112.73 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 70.8 m -57.85 -45.67 85.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.513 1.525 . . . . 0.0 113.94 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.42 106.41 18.48 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.818 1.247 . . . . 0.0 111.846 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.91 -23.06 60.81 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.404 1.482 . . . . 0.0 113.419 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -65.79 -22.19 66.55 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.99 1.716 . . . . 0.0 114.184 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -129.63 10.85 5.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.686 1.595 . . . . 0.0 114.026 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.22 41.37 1.03 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.361 1.864 . . . . 0.0 114.346 -170.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -142.7 146.78 34.72 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.056 1.342 . . . . 0.0 110.975 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.33 -21.51 59.88 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.55 0.74 . . . . 0.0 111.961 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 24.1 m -86.38 -18.37 32.0 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.475 1.51 . . . . 0.0 113.929 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 5.0 mmpt? -76.67 174.7 10.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.683 1.193 . . . . 0.0 113.285 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.0 t -90.93 -158.76 0.57 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.214 1.406 . . . . 0.0 112.356 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -150.99 168.52 24.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.889 2.476 . . . . 0.0 110.365 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.9 -36.88 85.79 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.036 -1.04 . . . . 0.0 112.718 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 23.6 mmt -150.03 129.84 13.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.792 1.637 . . . . 0.0 110.421 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.7 p -60.9 160.46 9.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.214 1.006 . . . . 0.0 112.628 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -61.59 -23.42 66.0 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -165.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -87.19 -5.43 58.98 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.661 1.985 . . . . 0.0 114.126 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -113.23 -33.0 6.11 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.59 1.956 . . . . 0.0 113.149 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.476 HG13 ' HZ ' ' B' ' 4' ' ' MLZ . 1.3 tp -64.03 -57.09 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.653 1.115 . . . . 0.0 110.711 168.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -52.85 -29.2 26.64 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -66.09 -32.98 74.77 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.307 1.843 . . . . 0.0 114.44 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.75 -34.28 77.81 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.26 1.024 . . . . 0.0 112.274 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.1 mp -86.48 -37.86 17.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.761 0.824 . . . . 0.0 112.321 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.58 44.27 4.96 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.682 1.611 . . . . 0.0 112.878 -175.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 40.5 pt -120.1 163.41 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.454 1.501 . . . . 0.0 113.549 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -107.23 58.32 0.42 Allowed Glycine 0 CA--C 1.532 1.141 0 C-N-CA 126.155 1.836 . . . . 0.0 114.098 -170.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 166.76 14.36 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 122.005 0.907 . . . . 0.0 112.916 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -73.21 -23.04 60.33 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.167 1.387 . . . . 0.0 113.37 171.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 66.28 -53.93 0.41 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 129.603 3.161 . . . . 0.0 114.46 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -151.9 -83.14 0.09 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.061 1.344 . . . . 0.0 111.013 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 32.1 t0 48.64 31.86 3.21 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.268 1.427 . . . . 0.0 113.587 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.317 0 C-N-CA 125.472 1.509 . . . . 0.0 113.255 178.345 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -63.25 169.62 3.45 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 112.033 163.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -155.67 -156.84 0.68 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.578 0.751 . . . . 0.0 111.192 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.476 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.83 115.05 13.22 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.215 1.406 . . . . 0.0 110.781 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -70.78 128.89 37.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.744 1.218 . . . . 0.0 112.1 175.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.54 16.67 13.12 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.605 1.562 . . . . 0.0 113.404 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -150.01 118.2 6.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.042 2.137 . . . . 0.0 108.808 -172.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 . . . . . 0 C--O 1.251 1.162 0 C-N-CA 127.412 2.285 . . . . 0.0 112.552 -175.353 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . 0.422 ' CB ' HH21 ' A' ' 867' ' ' ARG . 44.9 t 64.3 162.55 0.12 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.668 1.987 . . . . 0.0 113.858 -168.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -85.77 19.73 2.4 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.936 1.695 . . . . 0.0 113.589 -170.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -57.86 145.88 33.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.954 1.702 . . . . 0.0 112.717 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -149.53 164.46 35.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.295 1.838 . . . . 0.0 111.147 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 72.7 p 47.74 -145.8 0.28 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.629 1.972 . . . . 0.0 113.94 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.2 m -142.62 161.81 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.152 1.781 . . . . 0.0 111.942 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -121.99 -141.64 6.1 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.571 1.558 . . . . 0.0 111.441 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 96.0 p -160.06 168.16 26.2 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.13 1.772 . . . . 0.0 112.077 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -142.95 125.9 16.22 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.813 1.245 . . . . 0.0 111.029 169.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -147.27 -57.04 0.25 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.876 1.67 . . . . 0.0 112.107 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 5.3 p -155.68 160.55 40.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.889 1.276 . . . . 0.0 114.12 -164.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 64.17 156.08 0.07 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.031 2.532 . . . . 0.0 116.357 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 55.8 m -54.77 132.4 45.91 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.191 1.396 . . . . 0.0 111.364 167.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.624 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -134.93 -177.09 4.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.6 0.76 . . . . 0.0 111.225 -158.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -91.71 173.06 8.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.998 -1.064 . . . . 0.0 113.258 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.16 144.45 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.31 1.844 . . . . 0.0 109.23 166.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . 0.422 HH21 ' CB ' ' A' ' 851' ' ' SER . 5.0 ttp-105 -86.61 147.08 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.98 119.01 14.48 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 121.488 0.661 . . . . 0.0 110.447 159.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -68.53 -4.59 15.69 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.606 1.562 . . . . 0.0 114.93 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -106.97 -29.68 9.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.941 0.897 . . . . 0.0 112.634 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.81 -114.54 0.18 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 126.051 1.74 . . . . 0.0 110.3 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -179.74 -12.37 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.116 1 C-N-CA 131.973 4.109 . . . . 0.0 110.557 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.407 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 8.9 ttpt -39.15 147.64 0.06 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.197 2.199 . . . . 0.0 113.687 166.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.457 ' CZ3' ' HE2' ' B' ' 4' ' ' MLZ . 68.0 m95 -111.07 150.4 29.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.261 1.024 . . . . 0.0 112.485 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -143.68 136.1 27.01 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.736 1.614 . . . . 0.0 110.098 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -76.43 131.47 39.1 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.839 0.856 . . . . 0.0 109.751 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 31.1 pt -135.85 157.84 75.21 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 126.435 1.894 . . . . 0.0 111.151 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.53 146.01 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.637 1.558 . . . . 0.0 112.266 171.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.465 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -56.35 -19.96 16.97 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.307 1.443 . . . . 0.0 114.495 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -58.93 -27.22 65.09 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.903 -1.123 . . . . 0.0 112.707 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.09 -32.7 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.464 1.506 . . . . 0.0 111.998 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.7 m -62.65 -29.73 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.182 -0.949 . . . . 0.0 112.356 -177.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.92 -15.77 74.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.217 1.389 . . . . 0.0 114.429 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 26.9 t -90.56 -33.33 15.94 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.43 1.492 . . . . 0.0 112.757 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -77.45 112.55 15.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 122.151 0.977 . . . . 0.0 110.759 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -84.83 168.41 15.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.978 2.111 . . . . 0.0 114.043 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -65.32 -33.51 76.14 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.476 -1.39 . . . . 0.0 112.986 174.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 81.2 p -93.36 12.32 25.2 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.655 1.982 . . . . 0.0 113.438 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 8.2 t -70.29 178.47 2.84 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.605 1.162 . . . . 0.0 113.592 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -139.95 50.33 1.74 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.754 2.021 . . . . 0.0 111.648 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -71.02 126.77 30.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 170.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.7 pt -141.33 164.45 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.673 0.789 . . . . 0.0 112.489 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.407 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 20.5 m -46.55 -44.83 18.25 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.972 0.909 . . . . 0.0 113.159 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -57.24 -32.01 66.12 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.893 1.224 . . . . 0.0 113.036 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -10.88 52.87 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.572 1.549 . . . . 0.0 113.69 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -53.11 139.51 28.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.474 1.51 . . . . 0.0 113.483 -172.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 75.5 m -52.6 -46.22 66.89 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.618 1.567 . . . . 0.0 114.38 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.21 105.61 17.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.776 1.23 . . . . 0.0 111.774 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.31 -23.35 56.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.67 1.588 . . . . 0.0 113.574 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.92 -23.8 66.7 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.718 1.607 . . . . 0.0 113.899 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -125.76 8.81 7.57 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.628 1.571 . . . . 0.0 113.978 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -89.07 45.03 1.25 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.249 1.819 . . . . 0.0 114.561 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.65 151.31 37.04 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.848 0.832 . . . . 0.0 111.772 162.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.0 -11.4 5.69 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.924 1.29 . . . . 0.0 112.446 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 39.9 m -93.53 -18.24 22.47 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.196 1.398 . . . . 0.0 113.104 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -78.02 179.29 6.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.379 1.072 . . . . 0.0 113.78 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.5 t -95.27 -157.51 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.578 1.551 . . . . 0.0 112.587 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -145.87 166.74 25.07 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.819 2.448 . . . . 0.0 110.973 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.57 -31.41 72.1 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.842 -1.161 . . . . 0.0 113.322 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.7 mtt -153.53 130.02 10.65 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.864 1.666 . . . . 0.0 110.023 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.5 m -63.19 161.55 13.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.162 0.585 . . . . 0.0 111.012 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -62.39 -30.32 71.12 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.781 -1.199 . . . . 0.0 112.649 -174.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -71.49 -10.17 59.35 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.561 1.544 . . . . 0.0 113.73 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -102.59 -48.94 3.98 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.365 172.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.559 HG13 ' HZ ' ' B' ' 4' ' ' MLZ . 0.9 OUTLIER -79.79 11.14 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 123.565 1.65 . . . . 0.0 115.1 178.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -101.43 -37.3 8.5 Favored 'General case' 0 C--N 1.311 -1.065 0 O-C-N 120.226 -1.546 . . . . 0.0 112.068 158.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.36 -31.33 70.65 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.622 1.569 . . . . 0.0 113.73 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -62.68 -29.78 70.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.537 0.608 . . . . 0.0 112.575 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.3 mp -98.85 -30.12 12.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.387 1.075 . . . . 0.0 112.73 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 96.68 37.6 4.69 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.123 1.344 . . . . 0.0 113.286 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.8 pt -120.5 171.66 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.635 1.974 . . . . 0.0 111.704 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -102.42 -40.18 2.63 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 115.581 0.992 . . . . 0.0 115.581 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 55.78 -160.98 0.18 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.486 1.514 . . . . 0.0 113.427 -168.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.71 -33.02 73.28 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.915 -1.116 . . . . 0.0 113.677 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -67.26 -27.59 67.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.979 0.912 . . . . 0.0 113.28 173.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . 67.63 -45.05 0.48 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 131.063 3.745 . . . . 0.0 116.007 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -77.41 36.29 0.19 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 126.823 2.049 . . . . 0.0 113.923 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.81 2.444 . . . . 0.0 113.349 -176.029 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.42 109.37 1.34 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.285 0.948 . . . . 0.0 110.202 174.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.6 t -155.94 -161.35 1.13 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.91 1.284 . . . . 0.0 112.283 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.559 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.78 95.61 3.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.351 1.06 . . . . 0.0 113.603 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -65.4 130.43 43.3 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.772 1.229 . . . . 0.0 112.143 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.4 39.75 0.41 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.663 1.585 . . . . 0.0 112.747 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.51 116.19 4.15 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 127.394 2.278 . . . . 0.0 108.776 -172.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.628 1.571 . . . . 0.0 111.92 179.531 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.99 -0.444 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 21.5 t -153.56 169.27 23.64 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.169 1.388 . . . . 0.0 111.833 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -93.45 -18.42 22.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.775 1.63 . . . . 0.0 113.391 166.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -96.54 166.65 11.58 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.242 1.417 . . . . 0.0 112.122 172.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -71.04 171.88 10.09 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.568 1.147 . . . . 0.0 113.426 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 74.5 p -144.55 159.01 43.49 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.718 1.207 . . . . 0.0 113.19 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.91 165.59 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 127.051 2.14 . . . . 0.0 111.476 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -118.1 30.89 5.88 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 125.622 1.582 . . . . 0.0 114.061 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 24.8 m -70.48 151.86 44.65 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.364 1.866 . . . . 0.0 113.462 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -67.24 160.3 27.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.9 1.68 . . . . 0.0 112.045 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -65.65 -49.61 68.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.158 0.983 . . . . 0.0 112.763 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 36.7 m 62.07 178.27 0.13 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.919 1.687 . . . . 0.0 113.831 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -63.71 168.4 4.93 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.184 -1.573 . . . . 0.0 113.053 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 49.4 m -38.96 133.64 1.11 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.986 2.514 . . . . 0.0 114.972 -166.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.693 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -142.15 -176.47 4.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.681 -153.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . 0.46 ' CZ2' HD13 ' A' ' 915' ' ' ILE . 73.2 m95 -95.16 177.16 5.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.312 -0.868 . . . . 0.0 111.801 169.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -146.44 140.98 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.959 1.704 . . . . 0.0 110.14 165.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -89.7 145.64 25.07 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.462 1.105 . . . . 0.0 110.077 171.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.8 125.81 26.51 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.379 0.609 . . . . 0.0 110.916 162.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -75.99 -2.6 31.34 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.859 1.663 . . . . 0.0 113.802 170.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -112.38 -29.73 7.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.145 0.978 . . . . 0.0 112.407 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 14.0 p -118.2 -112.55 0.34 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.868 1.267 . . . . 0.0 111.366 160.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -170.43 -4.06 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.297 2.239 . . . . 0.0 115.839 -169.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.586 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.4 tmmm? -53.17 149.29 7.15 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.848 1.659 . . . . 0.0 111.843 170.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.587 ' CE2' HCM3 ' B' ' 4' ' ' MLZ . 83.9 m95 -111.52 151.4 28.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.18 0.992 . . . . 0.0 112.786 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -143.78 137.02 27.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.638 1.575 . . . . 0.0 110.075 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 129.85 34.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.188 0.995 . . . . 0.0 110.532 172.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -135.65 154.85 78.43 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 126.689 1.995 . . . . 0.0 111.719 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.05 148.55 45.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.297 1.998 . . . . 0.0 112.746 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.441 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -50.95 -25.66 4.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.408 1.483 . . . . 0.0 114.955 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.2 m -56.61 -27.11 57.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.758 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.96 -34.75 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.083 1.353 . . . . 0.0 112.138 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . 0.693 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.1 m -60.28 -29.09 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.207 -0.933 . . . . 0.0 112.612 -177.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -76.07 -19.31 78.74 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.373 1.463 . . . . 0.0 114.671 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.2 t -90.01 -39.76 12.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.834 1.253 . . . . 0.0 111.975 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.16 143.93 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 125.479 1.511 . . . . 0.0 110.661 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -160.58 179.25 8.74 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.125 1.77 . . . . 0.0 110.788 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -62.97 -22.08 66.57 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.926 -1.109 . . . . 0.0 113.311 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 89.4 p -83.5 -12.91 55.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.385 1.074 . . . . 0.0 113.576 173.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 11.1 t -80.71 172.29 13.94 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.899 1.28 . . . . 0.0 112.431 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -134.26 61.58 1.67 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.509 1.924 . . . . 0.0 110.154 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -74.06 129.04 37.08 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.319 0.648 . . . . 0.0 109.725 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.32 162.37 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.312 0.645 . . . . 0.0 112.341 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.586 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 63.5 m -49.27 -43.75 43.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.72 174.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 43.0 tpp -65.9 -20.74 66.33 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.915 1.234 . . . . 0.0 113.077 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -12.71 43.62 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.724 1.61 . . . . 0.0 113.411 174.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -54.75 138.42 42.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.762 1.225 . . . . 0.0 113.096 -172.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 57.9 m -53.98 -44.49 70.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.282 1.433 . . . . 0.0 114.228 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.61 103.95 16.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.488 1.115 . . . . 0.0 111.599 -174.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -58.28 -23.54 56.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.509 1.524 . . . . 0.0 113.374 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -66.24 -24.52 66.6 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.001 1.721 . . . . 0.0 113.974 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -123.73 4.2 8.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.448 1.499 . . . . 0.0 114.547 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.03 43.18 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.868 2.467 . . . . 0.0 114.756 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -145.43 154.69 42.53 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.491 0.716 . . . . 0.0 111.836 163.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.05 -19.41 31.47 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.965 1.306 . . . . 0.0 111.703 165.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.1 m -93.38 -16.19 24.89 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.619 1.168 . . . . 0.0 113.547 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.05 168.91 19.14 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.063 0.945 . . . . 0.0 112.71 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -82.49 -165.07 0.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.192 1.397 . . . . 0.0 112.778 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.02 168.18 26.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.889 2.475 . . . . 0.0 110.864 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -67.3 -33.82 76.09 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.163 -0.961 . . . . 0.0 112.74 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.6 mtt -151.26 129.85 12.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.375 1.47 . . . . 0.0 110.842 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.4 m -65.84 161.95 19.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.872 0.869 . . . . 0.0 111.833 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.0 -17.01 61.73 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -164.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.36 -3.26 44.06 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 126.301 1.84 . . . . 0.0 114.057 173.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -114.44 -33.27 5.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.614 1.966 . . . . 0.0 113.493 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.46 HD13 ' CZ2' ' A' ' 865' ' ' TRP . 1.3 tp -64.37 -56.18 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.037 1.29 . . . . 0.0 110.774 171.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -51.23 -31.79 21.87 Favored 'General case' 0 CA--C 1.551 1.0 0 O-C-N 120.836 -1.165 . . . . 0.0 113.696 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.52 -32.49 74.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.928 1.691 . . . . 0.0 114.353 171.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.88 -39.97 94.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.295 1.038 . . . . 0.0 111.435 174.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . 0.412 HD13 ' HZ ' ' B' ' 4' ' ' MLZ . 1.2 mp -76.92 -23.25 52.49 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.023 0.929 . . . . 0.0 112.713 171.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.95 34.48 8.88 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 126.08 1.8 . . . . 0.0 114.339 175.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 38.6 pt -139.79 171.12 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 126.075 1.75 . . . . 0.0 112.705 -166.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -82.06 -45.18 7.23 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.506 1.051 . . . . 0.0 113.709 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 63.8 -77.42 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 117.132 2.271 . . . . 0.0 117.132 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -160.85 -47.52 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.034 -1.894 . . . . 0.0 112.574 -146.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 62.1 -50.9 0.15 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 128.62 2.768 . . . . 0.0 115.788 -175.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -154.74 -49.19 0.09 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.181 1.792 . . . . 0.0 113.029 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 24.7 t0 54.97 12.51 0.62 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.21 1.804 . . . . 0.0 115.112 -169.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.006 1.723 . . . . 0.0 113.336 176.42 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.407 ' HG3' ' H ' ' B' ' 3' ' ' THR . 1.2 ptm180 -63.57 -50.47 69.34 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 176.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.407 ' H ' ' HG3' ' B' ' 2' ' ' ARG . 6.2 t 43.32 -163.27 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 129.283 3.033 . . . . 0.0 115.979 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.587 HCM3 ' CE2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.87 122.6 15.28 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.338 1.055 . . . . 0.0 113.388 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -66.44 128.1 34.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.67 -14.49 51.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.428 1.091 . . . . 0.0 113.937 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -82.11 54.25 2.46 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.976 1.71 . . . . 0.0 112.227 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 47.6 t80 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.822 1.649 . . . . 0.0 112.541 -168.259 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 93.4 p -153.75 164.21 38.71 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.137 1.375 . . . . 0.0 112.002 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 51.1 tpt85 61.93 -12.71 0.06 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 128.411 2.684 . . . . 0.0 117.104 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -62.9 -33.99 76.47 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.869 1.213 . . . . 0.0 113.137 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 58.75 -179.55 0.07 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.441 1.896 . . . . 0.0 113.178 -167.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 79.9 p -150.45 160.04 44.05 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 14.5 p -158.22 158.19 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.318 2.247 . . . . 0.0 109.16 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -77.79 -123.66 0.27 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.41 1.481 . . . . 0.0 113.543 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 72.1 m -150.94 152.22 33.28 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.68 1.592 . . . . 0.0 112.02 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -160.0 172.71 17.06 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.257 2.223 . . . . 0.0 109.589 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -91.35 -85.98 0.23 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.065 0.848 . . . . 0.0 112.292 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 862' ' ' GLU . 1.4 m 57.12 -148.9 0.48 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.216 1.006 . . . . 0.0 110.953 -169.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . 0.474 ' H ' HG22 ' A' ' 861' ' ' THR . 51.4 mt-10 -99.8 176.09 5.57 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.899 1.68 . . . . 0.0 112.34 175.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 78.5 p -48.46 141.8 6.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.104 1.762 . . . . 0.0 115.461 -166.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.96 -175.93 4.6 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.199 -157.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -113.58 171.4 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.084 0.954 . . . . 0.0 112.145 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.6 p -145.11 142.09 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.664 1.186 . . . . 0.0 110.031 168.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -88.23 141.09 28.83 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.813 1.245 . . . . 0.0 109.8 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.83 114.05 8.51 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.638 0.654 . . . . 0.0 109.544 162.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -64.01 -17.61 63.49 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 171.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.59 -16.75 28.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.795 0.838 . . . . 0.0 113.25 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 76.0 m -115.61 -104.75 0.4 Allowed 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 126.427 1.891 . . . . 0.0 110.222 169.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.4 p90 170.8 -17.41 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.001 1 C-N-CA 132.375 4.27 . . . . 0.0 109.958 -171.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -47.25 153.04 0.52 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.947 2.499 . . . . 0.0 113.19 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.461 ' CE3' ' HE2' ' B' ' 4' ' ' MLZ . 62.7 m95 -113.93 153.74 28.75 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.675 1.19 . . . . 0.0 112.363 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -144.38 139.96 28.76 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.541 1.136 . . . . 0.0 111.909 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 122.1 26.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.532 1.933 . . . . 0.0 110.023 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.77 156.54 79.97 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 125.165 1.386 . . . . 0.0 112.757 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -68.42 150.03 75.39 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 121.915 1.743 . . . . 0.0 110.819 162.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -56.87 -23.05 41.64 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 175.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.2 m -58.98 -28.49 66.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.921 1.288 . . . . 0.0 112.266 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.86 -41.45 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.977 0.911 . . . . 0.0 110.835 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -68.19 -19.72 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -92.26 -18.84 41.02 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.785 1.183 . . . . 0.0 114.436 171.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -84.3 -34.43 23.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.971 1.308 . . . . 0.0 112.304 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -67.95 123.79 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.659 1.584 . . . . 0.0 107.723 167.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -85.78 174.44 9.34 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.69 1.196 . . . . 0.0 112.438 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.66 -42.14 64.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.702 1.201 . . . . 0.0 112.242 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 80.1 p -96.8 -1.99 45.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.881 1.672 . . . . 0.0 114.769 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 65.6 m -68.19 121.61 16.55 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.754 1.161 . . . . 0.0 112.253 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -76.86 75.2 3.47 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.888 1.275 . . . . 0.0 110.617 172.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.15 131.9 44.97 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 14.4 pt -140.77 163.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.448 1.099 . . . . 0.0 111.599 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 17.8 m -49.9 -45.57 51.0 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.52 -13.09 61.74 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.911 -1.118 . . . . 0.0 113.643 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -12.21 28.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.821 1.649 . . . . 0.0 113.216 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -54.55 134.56 46.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.106 1.362 . . . . 0.0 112.598 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.5 m -56.01 -43.21 77.52 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.491 1.516 . . . . 0.0 113.749 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.01 99.8 11.25 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.323 1.049 . . . . 0.0 111.467 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -60.23 -18.21 47.11 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.147 1.779 . . . . 0.0 113.854 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -68.8 -24.32 64.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.219 1.808 . . . . 0.0 113.873 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -133.25 22.1 4.07 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.76 1.624 . . . . 0.0 112.804 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -96.52 40.53 1.13 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.928 1.691 . . . . 0.0 114.572 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -141.88 146.31 35.63 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.004 1.322 . . . . 0.0 110.986 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.6 m -58.58 -19.6 39.61 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.656 0.782 . . . . 0.0 112.116 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 38.2 m -86.44 -18.77 30.87 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.445 1.498 . . . . 0.0 114.368 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 6.3 mmpt? -75.69 -178.76 4.34 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.971 1.308 . . . . 0.0 113.516 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.8 t -106.87 -155.4 0.55 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.959 1.703 . . . . 0.0 112.553 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -145.54 167.93 21.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.978 2.111 . . . . 0.0 112.361 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.6 -35.53 74.5 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -151.31 132.86 14.77 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.901 1.681 . . . . 0.0 109.964 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.0 m -60.14 157.64 12.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.289 0.95 . . . . 0.0 111.685 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . 0.44 ' ND2' ' HE1' ' A' ' 874' ' ' TRP . 47.3 t-20 -55.02 -38.27 67.72 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.547 0.739 . . . . 0.0 111.691 -171.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.63 -27.62 68.79 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.469 1.508 . . . . 0.0 114.353 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -87.61 -48.63 7.75 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.445 1.498 . . . . 0.0 111.633 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 1.1 tp -59.43 -55.5 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.646 0.657 . . . . 0.0 111.798 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -58.52 -23.19 57.56 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.337 -1.477 . . . . 0.0 114.157 -175.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.68 -32.86 71.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.322 1.449 . . . . 0.0 114.055 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.1 -42.05 99.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.705 1.202 . . . . 0.0 112.201 -178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.7 mp -87.29 -27.89 22.62 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.858 0.863 . . . . 0.0 111.908 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 81.99 52.72 3.97 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.439 1.495 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 47.9 pt -131.93 165.39 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.314 1.446 . . . . 0.0 113.688 -165.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -95.32 44.83 2.1 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 117.312 1.685 . . . . 0.0 117.312 -163.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -59.58 156.5 13.35 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.936 1.868 . . . . 0.0 111.32 162.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -83.84 4.73 27.95 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.936 1.695 . . . . 0.0 114.076 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 66.73 -53.5 0.44 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.383 3.073 . . . . 0.0 114.38 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -75.62 -45.79 35.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.701 1.201 . . . . 0.0 111.586 169.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 8.1 t70 58.26 0.45 0.13 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.791 2.436 . . . . 0.0 116.891 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.63 1.972 . . . . 0.0 112.436 177.625 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.22 115.84 3.48 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.764 0.711 . . . . 0.0 111.394 176.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t -172.14 -161.01 0.16 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.777 1.231 . . . . 0.0 112.813 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.461 ' HE2' ' CE3' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -136.28 102.27 4.93 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -42.16 96.56 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.614 1.566 . . . . 0.0 114.606 -168.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 53.09 26.69 5.09 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.177 1.391 . . . . 0.0 114.023 -172.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -151.78 114.02 4.53 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 128.998 2.919 . . . . 0.0 107.632 -168.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.011 1.324 . . . . 0.0 112.675 -176.838 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 22.8 t -79.98 163.88 23.91 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.743 1.217 . . . . 0.0 113.89 -178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -74.0 -28.97 61.71 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.815 1.646 . . . . 0.0 112.71 168.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -142.73 -19.17 0.67 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 67.73 147.06 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 129.26 3.024 . . . . 0.0 118.943 168.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 82.0 p -160.09 -104.87 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.832 2.453 . . . . 0.0 110.904 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.07 166.74 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 128.631 2.772 . . . . 0.0 112.056 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -73.47 96.22 0.81 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.453 1.501 . . . . 0.0 109.997 170.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 15.1 m -47.1 140.66 4.88 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 127.876 2.47 . . . . 0.0 115.116 -171.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -132.17 161.92 32.17 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.668 1.987 . . . . 0.0 110.845 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -54.05 -49.36 69.16 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.615 1.166 . . . . 0.0 113.549 -169.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . 0.667 HG22 ' H ' ' A' ' 862' ' ' GLU . 5.8 m 56.0 -159.66 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.814 0.846 . . . . 0.0 111.823 176.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . 0.667 ' H ' HG22 ' A' ' 861' ' ' THR . 16.8 tt0 -79.11 174.19 11.81 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 119.898 -1.751 . . . . 0.0 111.105 160.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 51.9 p -55.32 137.73 47.03 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.826 -1.171 . . . . 0.0 111.907 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -144.21 176.91 8.98 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.401 0.681 . . . . 0.0 111.836 -160.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . 0.465 ' HE1' HG21 ' B' ' 6' ' ' THR . 68.8 m95 -89.16 175.06 7.53 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.821 -1.174 . . . . 0.0 112.847 173.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.6 p -150.29 144.31 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.138 1.775 . . . . 0.0 110.279 165.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . 0.403 ' HB3' HH11 ' A' ' 867' ' ' ARG . 0.0 OUTLIER -86.36 143.97 27.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.828 0.851 . . . . 0.0 111.68 174.406 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.1 124.39 27.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.442 0.697 . . . . 0.0 110.982 161.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.36 -10.61 59.01 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 171.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -86.85 -30.53 21.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.393 0.997 . . . . 0.0 111.886 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.278 17.8 p -118.11 -101.24 0.43 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.94 1.296 . . . . 0.0 111.296 163.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -171.01 -11.48 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.573 2.349 . . . . 0.0 114.807 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -50.41 158.66 0.57 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.11 2.164 . . . . 0.0 114.358 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -114.05 150.05 34.56 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.438 1.095 . . . . 0.0 112.926 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -142.86 136.68 28.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.05 1.74 . . . . 0.0 110.978 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.93 111.98 19.74 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.439 1.496 . . . . 0.0 109.786 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 30.2 pt -112.88 159.43 34.54 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 127.753 2.421 . . . . 0.0 111.518 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.05 150.34 66.33 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 121.282 1.321 . . . . 0.0 111.973 167.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -46.35 -33.86 4.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.355 1.862 . . . . 0.0 114.735 172.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.7 m -58.92 -28.26 66.06 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.064 1.345 . . . . 0.0 112.671 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.29 -37.08 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.375 1.07 . . . . 0.0 111.291 173.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -66.26 -22.57 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 119.496 1.044 . . . . 0.0 113.046 -178.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.81 -18.55 63.28 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.537 1.065 . . . . 0.0 114.545 172.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 36.6 t -85.26 -41.5 15.51 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.771 1.229 . . . . 0.0 111.649 172.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.0 156.41 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 C-N-CA 126.254 1.821 . . . . 0.0 109.384 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -149.09 173.94 12.86 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.146 1.378 . . . . 0.0 111.45 -177.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -48.92 -40.48 30.19 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.287 1.435 . . . . 0.0 111.47 167.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 80.1 p -88.45 -16.57 32.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.956 1.303 . . . . 0.0 114.505 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 21.4 t -74.57 159.24 32.43 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.619 0.768 . . . . 0.0 112.499 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.96 79.66 1.61 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.143 1.777 . . . . 0.0 110.964 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -78.51 141.59 38.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.881 1.272 . . . . 0.0 109.908 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 16.5 pt -140.31 161.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.626 1.103 . . . . 0.0 113.546 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 74.4 m -49.39 -44.62 45.16 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.358 1.063 . . . . 0.0 113.622 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.72 -21.95 66.87 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.163 1.347 . . . . 0.0 112.92 -175.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -11.94 46.61 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.767 1.627 . . . . 0.0 113.421 175.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -54.69 138.86 40.74 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.91 1.284 . . . . 0.0 113.218 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 58.0 m -54.54 -43.94 72.41 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.26 1.424 . . . . 0.0 114.164 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.2 105.33 17.57 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.745 1.218 . . . . 0.0 111.564 -174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -58.21 -24.34 58.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.366 1.466 . . . . 0.0 113.39 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.83 -23.31 67.2 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.024 1.73 . . . . 0.0 114.013 172.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -128.19 10.37 6.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.473 1.509 . . . . 0.0 114.161 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -87.58 41.45 0.99 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.884 2.074 . . . . 0.0 114.605 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.09 152.05 37.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.797 0.839 . . . . 0.0 111.351 165.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.52 -15.7 7.84 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.144 0.978 . . . . 0.0 112.226 166.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 66.4 m -91.31 -18.9 23.6 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.508 1.123 . . . . 0.0 113.214 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -76.22 178.13 6.68 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.201 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.8 t -93.68 -159.72 0.71 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.267 1.427 . . . . 0.0 112.848 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -148.05 167.57 24.6 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.796 2.439 . . . . 0.0 110.892 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.95 -36.36 83.7 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.253 -0.905 . . . . 0.0 113.24 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 56.7 mtt -152.48 133.98 14.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.552 1.541 . . . . 0.0 110.873 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 3.1 p -62.05 155.89 22.81 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.984 0.897 . . . . 0.0 112.389 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.02 -31.43 71.05 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.3 -160.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -80.27 -11.91 59.67 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.148 1.779 . . . . 0.0 115.025 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -97.32 -38.23 9.74 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.312 1.445 . . . . 0.0 111.735 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -66.9 -55.68 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 118.669 0.668 . . . . 0.0 112.296 170.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -54.72 -27.96 44.58 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.003 -1.686 . . . . 0.0 114.321 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.31 -31.78 72.43 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.338 2.255 . . . . 0.0 114.344 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.78 -45.65 92.98 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.084 0.954 . . . . 0.0 111.885 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . 0.539 HD21 ' H ' ' B' ' 6' ' ' THR . 2.6 mp -83.12 -30.47 27.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.809 0.844 . . . . 0.0 112.167 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.73 39.54 6.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.271 1.415 . . . . 0.0 112.735 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.91 174.45 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.095 1.758 . . . . 0.0 112.157 -171.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -142.71 113.67 0.81 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.836 1.684 . . . . 0.0 110.486 -175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -143.86 174.95 10.38 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.472 1.909 . . . . 0.0 112.057 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 67.29 -16.28 0.16 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 128.722 2.809 . . . . 0.0 116.05 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 60.3 -59.52 0.07 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 131.085 3.754 . . . . 0.0 116.018 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -83.07 -51.13 7.82 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.759 1.623 . . . . 0.0 112.456 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 26.4 t0 52.62 18.22 0.95 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 125.821 1.648 . . . . 0.0 114.23 -167.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.041 1.736 . . . . 0.0 113.421 179.656 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 111.366 0.136 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -62.76 161.91 11.73 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 170.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -160.77 -146.73 0.13 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -80.73 -24.68 38.59 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.539 ' H ' HD21 ' A' ' 919' ' ' LEU 0.255 0.0 OUTLIER 57.78 163.77 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 128.782 2.833 . . . . 0.0 116.776 -175.977 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.48 15.87 2.37 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.456 1.502 . . . . 0.0 113.559 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -89.39 -176.44 5.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.719 2.008 . . . . 0.0 110.482 174.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 50.6 p90 . . . . . 0 C--O 1.254 1.295 0 C-N-CA 128.934 2.894 . . . . 0.0 112.824 -178.363 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . 0.509 ' N ' ' HG ' ' A' ' 888' ' ' SER . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 41.0 t -156.24 153.92 29.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.686 1.595 . . . . 0.0 110.716 173.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -67.73 -33.8 75.59 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.788 0.835 . . . . 0.0 112.983 171.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -124.77 -64.5 1.1 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.59 1.156 . . . . 0.0 113.09 -165.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -161.02 167.03 27.26 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.038 1.735 . . . . 0.0 111.033 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 41.2 p -67.38 157.94 32.88 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.56 157.25 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 122.066 0.936 . . . . 0.0 113.159 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -81.6 54.76 4.82 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.439 1.495 . . . . 0.0 112.739 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 8.1 t 60.25 -162.05 0.27 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.376 1.47 . . . . 0.0 111.761 -162.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.56 171.81 1.85 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.137 1.775 . . . . 0.0 113.59 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -137.04 96.39 3.29 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 125.814 2.721 . . . . 0.0 109.163 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 2.1 p -75.83 148.48 38.35 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 109.951 -3.295 . . . . 0.0 112.585 166.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 57.11 177.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.148 1.779 . . . . 0.0 114.546 -174.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 62.0 m -59.91 135.3 57.66 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.82 -1.175 . . . . 0.0 111.785 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -130.94 -177.88 4.57 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.721 0.808 . . . . 0.0 112.584 -160.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -98.95 172.33 7.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.421 -0.8 . . . . 0.0 111.169 161.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.69 145.21 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.707 1.603 . . . . 0.0 110.006 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.43 144.56 28.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.504 1.521 . . . . 0.0 111.533 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.0 t -73.1 117.88 15.37 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.032 0.933 . . . . 0.0 111.447 167.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -78.3 6.3 8.58 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 168.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -101.25 -30.62 11.42 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.493 1.042 . . . . 0.0 112.53 167.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.269 14.4 p -126.09 -98.81 0.4 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.397 1.479 . . . . 0.0 112.119 168.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -162.04 -13.04 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.838 2.455 . . . . 0.0 114.991 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -43.12 136.52 2.83 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.982 1.713 . . . . 0.0 113.939 -173.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.498 ' CG ' HCM3 ' B' ' 4' ' ' MLZ . 71.8 m95 -101.75 143.43 31.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.362 1.065 . . . . 0.0 111.658 175.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -142.84 137.21 29.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.905 1.682 . . . . 0.0 110.246 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.3 30.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.65 1.18 . . . . 0.0 109.549 174.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.2 pt -127.34 156.2 75.28 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 127.377 2.271 . . . . 0.0 111.102 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.91 154.92 62.96 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.459 1.439 . . . . 0.0 111.454 167.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -51.75 -26.18 8.99 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 17.0 m -60.75 -27.18 67.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.986 1.314 . . . . 0.0 112.79 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 91.4 t -91.21 -38.81 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.429 1.092 . . . . 0.0 110.818 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.73 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.981 0.809 . . . . 0.0 112.801 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.47 -17.86 70.11 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.974 1.274 . . . . 0.0 114.197 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.4 t -91.94 -41.22 10.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.2 1.4 . . . . 0.0 112.113 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -77.2 117.14 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.19 1.396 . . . . 0.0 109.486 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -92.52 173.73 7.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.19 1.396 . . . . 0.0 111.972 170.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -50.29 -39.0 44.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.814 1.246 . . . . 0.0 112.154 171.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . 0.509 ' HG ' ' N ' ' A' ' 850' ' ' GLY . 3.2 t -92.21 -9.96 40.38 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 50.6 m -72.3 121.34 19.28 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.964 -1.085 . . . . 0.0 111.855 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -79.83 73.02 6.6 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.035 1.334 . . . . 0.0 111.957 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -76.07 135.32 39.9 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.201 1.001 . . . . 0.0 109.477 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.4 pt -142.97 164.87 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.82 0.848 . . . . 0.0 112.768 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 75.0 m -49.11 -47.44 45.36 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.313 -0.867 . . . . 0.0 113.215 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -63.66 -25.27 68.14 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.844 1.202 . . . . 0.0 112.878 -173.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -7.65 56.7 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -54.54 136.36 44.92 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.679 1.592 . . . . 0.0 111.862 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 56.6 m -60.27 -42.34 95.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.345 1.458 . . . . 0.0 113.475 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.14 102.47 13.3 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.243 1.017 . . . . 0.0 111.368 -173.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -58.93 -21.64 58.43 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.865 1.666 . . . . 0.0 113.512 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.05 -26.26 68.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.099 1.76 . . . . 0.0 113.563 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -133.02 16.87 4.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.535 1.534 . . . . 0.0 113.616 -173.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.37 32.66 0.93 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.972 1.709 . . . . 0.0 114.975 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -149.87 148.67 29.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.968 1.307 . . . . 0.0 111.49 166.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.56 -18.36 4.32 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 125.786 1.634 . . . . 0.0 112.599 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 33.6 m -90.67 -15.01 31.15 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.359 1.864 . . . . 0.0 113.569 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.11 -175.49 1.84 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.9 t -81.18 -159.84 0.29 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.008 1.723 . . . . 0.0 113.147 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -153.61 155.7 36.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 128.192 2.597 . . . . 0.0 109.893 174.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.8 -40.11 91.59 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.541 1.519 . . . . 0.0 112.052 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -144.33 140.08 28.91 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.026 1.33 . . . . 0.0 110.388 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.03 156.58 20.92 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.184 0.902 . . . . 0.0 111.152 173.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -61.59 -32.3 72.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -163.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -71.39 -28.53 64.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.532 1.133 . . . . 0.0 113.037 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -83.11 -37.24 24.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.384 1.074 . . . . 0.0 111.95 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.529 HG13 HCM2 ' B' ' 4' ' ' MLZ . 1.7 tp -67.87 -54.85 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.667 0.667 . . . . 0.0 111.081 169.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -57.83 -26.28 61.8 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.445 -1.409 . . . . 0.0 114.043 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -66.26 -36.35 82.76 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.157 1.383 . . . . 0.0 114.164 167.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -65.82 -33.45 75.89 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.97 1.308 . . . . 0.0 112.516 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.62 -38.45 29.23 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.854 0.862 . . . . 0.0 111.946 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.81 38.71 4.84 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.852 1.691 . . . . 0.0 113.302 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 15.9 pt -136.34 172.33 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.892 1.677 . . . . 0.0 112.869 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -117.17 96.43 0.7 Allowed Glycine 0 CA--C 1.528 0.892 0 C-N-CA 126.198 1.856 . . . . 0.0 110.6 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . 0.477 ' CD ' ' HZ ' ' B' ' 4' ' ' MLZ . 9.1 tp60 -65.64 160.39 22.74 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.294 1.038 . . . . 0.0 113.548 -176.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.11 -44.3 84.69 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.504 1.122 . . . . 0.0 113.119 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -67.75 -35.78 79.35 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.282 1.033 . . . . 0.0 112.383 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.97 -46.34 65.45 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.151 1.38 . . . . 0.0 112.949 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 23.5 t0 55.72 17.88 2.62 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.965 1.706 . . . . 0.0 113.742 -168.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.339 0 C-N-CA 126.116 1.766 . . . . 0.0 113.555 177.451 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.61 130.85 45.18 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.997 158.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t -161.66 -161.78 0.81 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 176.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.529 HCM2 HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -146.5 111.12 5.2 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.683 -1.261 . . . . 0.0 114.249 -170.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -70.13 133.55 47.24 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.022 1.329 . . . . 0.0 112.588 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.79 -5.77 11.55 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.025 1.33 . . . . 0.0 113.702 172.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -90.77 69.44 6.54 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.65 1.58 . . . . 0.0 111.143 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.538 1.535 . . . . 0.0 113.165 177.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 44.0 t -65.96 137.09 56.9 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.633 0.773 . . . . 0.0 112.517 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -85.69 -30.81 22.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.95 1.3 . . . . 0.0 112.445 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.77 -59.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.445 2.298 . . . . 0.0 108.403 -164.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -155.68 159.65 39.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.725 2.41 . . . . 0.0 109.097 164.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 37.1 p -100.4 148.56 24.59 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 8.9 p -166.67 155.49 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 126.6 1.96 . . . . 0.0 110.917 173.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 170.05 51.93 0.04 OUTLIER Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.752 0.691 . . . . 0.0 114.774 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 73.1 m -144.99 148.34 33.64 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.049 1.34 . . . . 0.0 112.68 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.2 140.43 41.66 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.102 0.961 . . . . 0.0 111.974 168.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -161.14 -54.9 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.478 1.511 . . . . 0.0 110.421 168.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 9.6 p -77.05 174.68 10.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.435 2.294 . . . . 0.0 113.985 173.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . 0.468 ' HG2' ' H ' ' A' ' 863' ' ' SER . 14.2 tt0 -66.99 -177.86 0.69 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.596 1.159 . . . . 0.0 111.755 159.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . 0.468 ' H ' ' HG2' ' A' ' 862' ' ' GLU . 38.6 m -42.34 144.4 0.5 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.009 2.523 . . . . 0.0 115.857 -174.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -125.86 -172.34 2.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.687 1.595 . . . . 0.0 113.102 -163.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -104.32 175.71 5.4 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.526 -0.734 . . . . 0.0 111.821 159.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.15 146.17 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.392 1.477 . . . . 0.0 110.801 163.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.21 142.95 27.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 111.728 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.93 126.51 30.63 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.8 0.84 . . . . 0.0 111.754 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -83.3 -10.59 58.42 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.94 -27.4 22.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.111 0.869 . . . . 0.0 112.662 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.265 16.0 p -128.78 -94.15 0.43 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.819 1.247 . . . . 0.0 111.761 166.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -170.51 -18.1 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.179 2.592 . . . . 0.0 113.177 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.02 141.53 2.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.08 1.352 . . . . 0.0 114.325 -174.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.528 ' CG ' HCM1 ' B' ' 4' ' ' MLZ . 76.5 m95 -101.84 148.85 24.82 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 125.505 1.522 . . . . 0.0 112.063 -176.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -145.07 138.93 27.03 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.307 1.443 . . . . 0.0 110.289 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -76.23 128.32 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.492 1.517 . . . . 0.0 109.85 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.3 pt -135.33 155.6 78.56 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 125.308 1.443 . . . . 0.0 112.508 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -66.79 149.27 83.48 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 121.839 1.693 . . . . 0.0 111.017 163.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.28 62.63 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 70.8 m -60.57 -25.55 66.28 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.129 -0.982 . . . . 0.0 112.792 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.4 t -84.37 -38.81 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.625 0.77 . . . . 0.0 110.471 171.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -19.46 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 118.914 0.779 . . . . 0.0 113.048 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.03 -21.24 46.82 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.974 1.273 . . . . 0.0 114.732 169.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.2 t -83.68 -35.78 24.26 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 112.145 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.4 114.97 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.313 1.445 . . . . 0.0 108.906 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -94.26 177.71 5.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.902 1.681 . . . . 0.0 111.905 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -79.52 -28.17 41.36 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.773 -1.204 . . . . 0.0 112.561 165.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 35.0 t -71.42 -32.44 68.39 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.016 0.926 . . . . 0.0 112.714 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 12.7 t -72.64 173.18 9.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.367 1.467 . . . . 0.0 111.796 169.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -147.02 131.63 17.8 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.957 1.303 . . . . 0.0 111.843 171.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -106.85 138.27 43.34 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.01 1.724 . . . . 0.0 110.366 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 22.8 pt -142.21 162.39 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.966 0.906 . . . . 0.0 112.756 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 71.2 m -46.48 -47.82 19.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.564 1.146 . . . . 0.0 113.325 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 52.8 mtt -65.5 -19.63 66.01 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.907 1.23 . . . . 0.0 113.09 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -15.12 37.73 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.94 1.696 . . . . 0.0 113.375 174.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 139.35 44.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.013 1.325 . . . . 0.0 112.7 -172.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 62.8 m -54.59 -48.45 72.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.735 1.214 . . . . 0.0 113.234 173.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.73 103.98 16.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.453 1.101 . . . . 0.0 112.142 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . 0.508 ' CA ' ' HE3' ' A' ' 899' ' ' LYS . 0.0 OUTLIER -59.77 -18.96 47.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.582 1.953 . . . . 0.0 114.014 -177.047 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -67.13 -24.92 65.97 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.396 1.478 . . . . 0.0 113.657 170.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.27 5.66 5.8 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -80.87 35.98 0.38 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.359 2.263 . . . . 0.0 114.836 -172.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.42 148.41 30.28 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.2 1.4 . . . . 0.0 111.599 168.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 83.6 m -57.98 -16.07 11.19 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 125.405 1.482 . . . . 0.0 112.834 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 60.9 m -91.78 -14.81 29.24 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.223 1.409 . . . . 0.0 113.27 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -77.53 179.5 6.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -87.7 -161.64 0.73 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.168 1.787 . . . . 0.0 113.051 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.62 156.83 42.57 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.151 2.581 . . . . 0.0 110.486 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.33 -39.19 93.4 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.057 1.298 . . . . 0.0 112.277 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.58 140.37 27.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 0.0 109.636 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 p -60.46 151.89 27.12 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.142 1.337 . . . . 0.0 111.51 168.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.73 -34.74 74.86 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -164.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.41 -26.59 68.52 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.039 0.936 . . . . 0.0 113.372 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -85.98 -39.33 17.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.411 1.084 . . . . 0.0 112.586 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 2.0 tp -71.49 -54.02 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.379 0.99 . . . . 0.0 111.922 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -56.33 -26.14 51.33 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 120.007 -1.683 . . . . 0.0 113.77 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.39 -32.71 74.43 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.182 1.793 . . . . 0.0 114.794 168.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -64.8 -38.5 91.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.252 1.421 . . . . 0.0 111.819 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.6 mp -84.01 -36.29 23.26 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.09 0.956 . . . . 0.0 112.186 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 94.2 44.52 3.51 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.509 1.528 . . . . 0.0 113.102 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 23.6 pt -129.0 -172.89 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.228 1.811 . . . . 0.0 112.131 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -145.61 131.98 4.4 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 126.705 2.098 . . . . 0.0 109.767 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . 0.53 HE22 ' HD3' ' B' ' 4' ' ' MLZ . 1.6 pt20 -155.41 -179.52 8.18 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.781 2.032 . . . . 0.0 112.33 176.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 66.63 -7.42 0.45 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 128.518 2.727 . . . . 0.0 116.472 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -60.28 -30.66 69.6 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.026 2.13 . . . . 0.0 113.507 166.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . 67.03 -41.49 0.41 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 131.112 3.765 . . . . 0.0 115.424 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -69.96 -9.66 55.9 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.246 1.419 . . . . 0.0 114.659 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 C-N-CA 128.371 2.669 . . . . 0.0 114.112 177.069 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.51 121.47 7.11 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 119.719 1.145 . . . . 0.0 111.878 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.1 t -164.57 -159.46 0.47 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.485 1.114 . . . . 0.0 111.24 168.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.53 ' HD3' HE22 ' A' ' 923' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -137.36 99.56 4.0 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.536 1.134 . . . . 0.0 113.308 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -68.21 -37.48 80.93 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 49.72 36.29 10.62 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.222 1.409 . . . . 0.0 114.237 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -152.11 129.99 11.72 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 127.79 2.436 . . . . 0.0 108.973 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 35.7 p90 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.779 2.032 . . . . 0.0 113.715 176.145 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.102 -0.399 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 7.7 t 58.89 -170.11 0.13 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.723 1.609 . . . . 0.0 113.938 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 61.07 12.93 4.29 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.849 2.46 . . . . 0.0 116.349 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 52.5 mmt-85 60.6 170.06 0.09 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 128.01 2.524 . . . . 0.0 114.562 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 59.9 150.61 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.91 2.484 . . . . 0.0 114.984 -162.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 92.7 p -169.83 172.65 6.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.014 1.726 . . . . 0.0 112.105 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.46 166.58 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.506 1.522 . . . . 0.0 114.066 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -135.51 58.14 0.68 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 127.128 2.299 . . . . 0.0 110.917 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 19.6 m -73.56 -0.51 15.41 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -166.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -149.28 156.98 42.94 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 126.854 2.062 . . . . 0.0 111.969 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.36 -53.47 5.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.768 1.227 . . . . 0.0 112.874 -175.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . 0.561 HG22 ' H ' ' A' ' 862' ' ' GLU . 22.9 m 59.33 -170.46 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.445 1.098 . . . . 0.0 111.437 -172.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 861' ' ' THR . 53.1 mt-10 -72.23 164.09 26.84 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 119.48 -2.012 . . . . 0.0 112.019 167.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 60.6 m -50.73 135.4 23.64 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.944 1.297 . . . . 0.0 112.696 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -131.66 179.69 5.9 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.86 0.864 . . . . 0.0 112.034 -155.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -92.66 174.55 7.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.171 -0.956 . . . . 0.0 112.016 160.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.79 142.83 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.638 1.975 . . . . 0.0 109.395 166.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.96 147.85 27.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.295 1.038 . . . . 0.0 111.576 174.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.77 112.47 8.84 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.127 0.489 . . . . 0.0 109.694 155.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -62.35 -16.65 55.73 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 171.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.64 -13.19 23.02 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.01 1.324 . . . . 0.0 113.665 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 87.4 m -118.54 -103.71 0.41 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 126.258 1.823 . . . . 0.0 110.36 170.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 51.8 p90 174.09 -16.68 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.929 1 C-N-CA 132.273 4.229 . . . . 0.0 110.232 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.455 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 7.1 ttpt -45.88 153.86 0.27 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.375 2.67 . . . . 0.0 113.465 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.463 ' CH2' ' HE2' ' B' ' 4' ' ' MLZ . 76.2 m95 -119.96 148.75 43.15 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.818 0.847 . . . . 0.0 113.04 -177.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -141.78 137.21 31.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.153 1.381 . . . . 0.0 112.613 172.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 126.03 31.21 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.462 1.505 . . . . 0.0 110.059 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.19 159.69 70.42 Favored Pre-proline 0 N--CA 1.471 0.581 0 C-N-CA 128.136 2.574 . . . . 0.0 111.55 -173.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -69.9 151.04 68.16 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.545 1.497 . . . . 0.0 111.474 163.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.79 -23.1 40.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 39.1 t -59.17 -30.18 68.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.261 1.024 . . . . 0.0 112.043 173.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 93.8 t -84.24 -42.34 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.197 0.999 . . . . 0.0 110.526 173.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -21.47 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 121.497 -0.752 . . . . 0.0 112.401 -177.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -90.96 7.51 81.05 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.396 1.95 . . . . 0.0 114.843 173.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 21.9 t -129.66 -25.67 2.57 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.659 1.584 . . . . 0.0 113.191 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.88 127.54 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 124.879 1.271 . . . . 0.0 109.373 169.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -139.31 170.12 16.52 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.099 1.759 . . . . 0.0 113.518 -170.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.18 -37.07 64.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.948 1.699 . . . . 0.0 114.681 -174.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 90.9 p -81.09 -10.7 59.63 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.622 1.569 . . . . 0.0 113.495 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 8.9 t -91.28 168.23 11.74 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.553 1.541 . . . . 0.0 112.024 171.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -131.27 114.16 14.7 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.544 1.138 . . . . 0.0 109.213 155.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -78.34 128.9 34.34 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 165.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 13.6 pt -141.56 164.35 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.182 0.993 . . . . 0.0 111.543 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.455 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 22.3 m -49.81 -45.59 50.16 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.76 -23.98 67.58 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.998 1.272 . . . . 0.0 113.082 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -14.13 47.82 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.439 1.496 . . . . 0.0 113.508 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -55.95 135.82 52.16 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.16 1.384 . . . . 0.0 112.768 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 52.3 m -57.69 -43.33 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.265 1.426 . . . . 0.0 113.593 170.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.25 103.84 13.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.378 1.071 . . . . 0.0 112.213 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.86 -16.17 38.57 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.167 1.787 . . . . 0.0 113.438 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -57.8 -32.53 67.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 168.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -140.58 17.96 2.36 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -84.43 39.27 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.542 1.537 . . . . 0.0 114.782 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -144.87 144.48 31.13 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.515 1.526 . . . . 0.0 110.953 173.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 99.5 m -59.69 -20.11 54.17 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.327 0.651 . . . . 0.0 111.969 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 20.4 m -87.2 -17.87 31.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.333 1.453 . . . . 0.0 114.087 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -74.73 175.13 8.23 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.561 1.144 . . . . 0.0 113.878 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.7 t -87.28 -156.49 0.34 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.912 1.685 . . . . 0.0 112.249 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -156.79 166.15 34.18 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.22 2.608 . . . . 0.0 110.595 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -73.73 -26.22 60.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.4 mmt -148.9 128.66 13.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.391 1.476 . . . . 0.0 110.305 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.1 m -61.69 160.88 10.85 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.153 0.981 . . . . 0.0 110.96 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.18 -26.85 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 120.6 -1.312 . . . . 0.0 112.794 -174.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.07 -0.77 29.34 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.628 1.571 . . . . 0.0 114.126 170.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -114.25 -45.91 3.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.937 . . . . 0.0 111.564 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.525 HG13 ' HZ ' ' B' ' 4' ' ' MLZ . 1.0 OUTLIER -77.38 7.26 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 123.804 1.764 . . . . 0.0 114.837 174.222 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -94.25 -41.3 9.54 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.653 -1.904 . . . . 0.0 112.601 156.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.69 -30.4 70.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.904 1.281 . . . . 0.0 113.904 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -60.05 -33.47 72.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.775 0.83 . . . . 0.0 112.843 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.44 -26.72 14.75 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 97.34 28.59 8.43 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.192 1.377 . . . . 0.0 113.38 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 49.7 pt -108.78 170.37 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.623 1.969 . . . . 0.0 111.435 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -94.37 -41.08 4.33 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.139 0.876 . . . . 0.0 114.16 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . 0.254 4.9 tp-100 59.71 142.59 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.953 2.901 . . . . 0.0 116.163 -166.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -75.09 -33.07 61.6 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 114.606 -1.179 . . . . 0.0 113.396 -173.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.54 -37.96 86.11 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.985 0.914 . . . . 0.0 112.367 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -72.43 -44.15 62.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.904 1.282 . . . . 0.0 112.699 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 27.9 t0 56.44 19.17 3.91 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.791 1.636 . . . . 0.0 113.507 -166.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.332 0 C-N-CA 125.804 1.642 . . . . 0.0 113.587 176.21 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.44 108.2 0.6 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.177 0.991 . . . . 0.0 110.166 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -158.7 -164.57 1.47 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.525 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -141.65 104.32 4.53 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.972 -1.08 . . . . 0.0 113.617 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -71.32 132.57 45.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.971 1.309 . . . . 0.0 112.862 -174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.74 17.92 1.64 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.095 1.358 . . . . 0.0 113.465 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -76.52 160.85 29.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.66 1.984 . . . . 0.0 110.082 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 10.6 p90 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 129.222 3.009 . . . . 0.0 114.0 178.072 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.414 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 66.6 m -74.03 160.09 31.77 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.895 1.278 . . . . 0.0 113.309 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -23.1 63.79 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -176.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 11.8 mtm105 58.8 173.62 0.07 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.01 2.524 . . . . 0.0 114.586 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -156.69 156.95 34.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.912 1.285 . . . . 0.0 112.318 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 52.1 p 54.7 -171.66 0.05 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.476 2.31 . . . . 0.0 115.293 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.0 m -146.73 167.39 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.338 1.855 . . . . 0.0 112.547 -173.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 99.33 133.64 8.18 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 116.216 1.246 . . . . 0.0 116.216 163.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 83.1 p -151.53 150.12 29.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.071 2.149 . . . . 0.0 110.927 169.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -152.64 159.6 43.2 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.222 1.409 . . . . 0.0 111.053 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -54.46 -64.26 0.89 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.744 1.618 . . . . 0.0 113.128 -164.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . 0.648 HG22 ' H ' ' A' ' 862' ' ' GLU . 16.8 m 52.66 -159.09 0.13 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.3 1.04 . . . . 0.0 111.369 -174.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . 0.648 ' H ' HG22 ' A' ' 861' ' ' THR . 63.3 mt-10 -75.51 166.69 23.19 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 119.775 -1.828 . . . . 0.0 111.287 158.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 57.9 m -46.98 132.27 11.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.189 1.396 . . . . 0.0 113.535 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -133.9 178.14 7.18 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.521 1.128 . . . . 0.0 111.708 -151.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -94.17 175.35 6.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.949 -1.095 . . . . 0.0 112.24 167.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.97 143.4 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.21 1.804 . . . . 0.0 110.254 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.7 148.74 23.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.797 1.239 . . . . 0.0 111.921 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.11 119.32 19.1 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.978 0.911 . . . . 0.0 110.691 161.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -77.13 -4.6 45.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 170.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -90.64 -50.99 5.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.697 1.135 . . . . 0.0 110.884 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.298 13.7 p -103.45 -102.88 0.29 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.639 1.176 . . . . 0.0 111.26 167.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -164.91 -13.32 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -53.38 141.27 24.96 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -93.8 145.33 24.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.408 1.083 . . . . 0.0 111.749 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -142.02 135.73 29.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.524 1.53 . . . . 0.0 112.986 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.55 124.57 28.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.978 1.311 . . . . 0.0 110.644 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.18 160.32 68.45 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 128.145 2.578 . . . . 0.0 111.319 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -68.38 149.58 75.28 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 121.593 1.529 . . . . 0.0 111.788 166.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -57.22 -25.84 59.73 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 18.9 m -60.71 -27.22 67.73 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.615 1.166 . . . . 0.0 112.429 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 83.5 t -89.23 -39.18 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.93 0.892 . . . . 0.0 110.899 172.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -22.54 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.416 1.007 . . . . 0.0 113.146 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -88.42 -20.15 49.56 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.528 1.061 . . . . 0.0 114.402 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.2 t -79.95 -40.42 28.09 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.569 1.147 . . . . 0.0 111.505 170.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.4 146.71 13.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 125.957 1.703 . . . . 0.0 109.951 168.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -159.18 -177.47 6.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.413 1.885 . . . . 0.0 109.423 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -71.87 -18.18 62.07 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.887 -1.133 . . . . 0.0 113.65 166.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 83.5 p -76.66 0.52 20.01 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.027 0.931 . . . . 0.0 113.022 167.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 22.7 t -126.71 167.64 15.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.142 2.177 . . . . 0.0 111.209 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -132.27 92.29 3.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.432 1.493 . . . . 0.0 110.367 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -77.4 133.73 38.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.408 0.683 . . . . 0.0 109.238 171.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 15.7 pt -141.88 163.08 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.025 0.93 . . . . 0.0 111.808 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.5 m -48.71 -47.8 40.85 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.72 0.808 . . . . 0.0 112.886 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 73.0 mtm -68.2 -14.67 63.16 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.725 -1.235 . . . . 0.0 113.619 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -15.55 34.05 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.644 1.577 . . . . 0.0 113.15 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -59.1 137.02 58.12 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.248 1.419 . . . . 0.0 112.925 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 41.8 m -59.0 -42.42 90.0 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.084 1.354 . . . . 0.0 113.561 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -83.77 103.97 13.5 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.448 1.099 . . . . 0.0 112.044 -172.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -60.0 -18.95 49.76 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.059 1.744 . . . . 0.0 113.497 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -60.29 -27.37 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.248 1.819 . . . . 0.0 113.09 169.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -137.04 12.1 3.08 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -81.04 31.46 0.32 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -148.34 147.23 29.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.203 1.801 . . . . 0.0 110.466 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 72.4 m -59.97 -17.02 34.95 Favored 'General case' 0 CA--C 1.561 1.391 0 O-C-N 121.379 -0.826 . . . . 0.0 112.337 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 67.4 m -85.62 -22.03 28.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.491 1.516 . . . . 0.0 113.596 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -72.09 -179.83 2.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.436 0.695 . . . . 0.0 112.027 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 6.2 t -152.46 152.71 32.29 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.44 162.44 25.49 Favored 'General case' 0 CA--C 1.541 0.599 1 C-N-CA 134.138 4.975 . . . . 0.0 116.797 -154.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -88.3 -29.46 20.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.289 1.036 . . . . 0.0 113.123 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 24.7 mmt -141.25 137.52 32.6 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 109.583 167.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 2.6 m -67.11 161.16 25.17 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.341 0.973 . . . . 0.0 111.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -68.23 -19.88 64.77 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -168.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -67.81 -43.41 79.71 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.773 0.715 . . . . 0.0 111.214 166.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -72.65 -46.4 54.12 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.037 0.935 . . . . 0.0 111.305 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.606 HG13 ' HZ ' ' B' ' 4' ' ' MLZ 0.293 1.3 tp -80.11 15.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 173.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . 0.284 0.8 OUTLIER -111.12 -32.9 6.63 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.642 -1.286 . . . . 0.0 113.874 155.319 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.08 -32.63 74.43 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.454 1.102 . . . . 0.0 113.361 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.23 -31.35 68.98 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.36 1.064 . . . . 0.0 112.958 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.9 mp -105.78 -28.95 10.36 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.526 1.131 . . . . 0.0 112.559 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 89.21 44.29 5.07 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.329 1.442 . . . . 0.0 112.67 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.39 165.35 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.724 1.609 . . . . 0.0 112.84 -171.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -108.07 72.8 0.2 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.218 1.389 . . . . 0.0 113.812 -174.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 174.63 9.76 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 117.871 0.835 . . . . 0.0 112.248 171.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.48 -29.55 70.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.478 1.111 . . . . 0.0 113.563 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 64.38 -58.12 0.23 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 129.314 3.046 . . . . 0.0 116.302 173.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -156.23 -49.93 0.08 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.597 1.559 . . . . 0.0 113.383 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 20.0 t0 55.45 15.12 1.32 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.783 1.633 . . . . 0.0 114.549 -168.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.922 1.689 . . . . 0.0 113.466 177.65 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.13 147.2 48.32 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 121.336 -0.852 . . . . 0.0 110.882 164.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.4 t -167.3 -174.95 2.74 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -174.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.606 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -125.16 92.27 3.6 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.728 1.211 . . . . 0.0 111.441 -170.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.2 131.94 52.05 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.752 1.221 . . . . 0.0 113.861 -175.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.67 -17.79 20.12 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.839 1.256 . . . . 0.0 113.681 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.11 63.46 6.33 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.121 1.768 . . . . 0.0 111.918 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.892 1.677 . . . . 0.0 112.303 -176.891 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 15.9 m -65.78 -14.88 62.22 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.29 -25.46 59.6 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.413 1.485 . . . . 0.0 112.695 171.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -109.07 -10.91 14.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.684 1.994 . . . . 0.0 114.536 174.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' B' ' 1' ' ' ALA . . . 64.04 -156.21 0.31 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.345 1.858 . . . . 0.0 114.973 162.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 89.3 p -136.92 178.1 7.34 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.361 1.864 . . . . 0.0 113.694 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.48 156.19 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.682 1.593 . . . . 0.0 112.144 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -103.77 56.48 0.58 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.907 1.718 . . . . 0.0 112.557 168.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 p -69.97 159.63 33.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.52 1.528 . . . . 0.0 113.254 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -84.08 153.18 23.93 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.277 1.431 . . . . 0.0 111.885 173.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -72.97 -49.72 27.49 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . 0.269 13.3 t 48.83 -153.32 0.11 Allowed 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 126.256 1.823 . . . . 0.0 112.782 -171.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.81 -37.57 10.21 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.361 1.465 . . . . 0.0 112.93 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 64.3 m -151.81 136.11 16.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.564 1.946 . . . . 0.0 111.58 173.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -129.47 -174.32 3.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.113 1.765 . . . . 0.0 111.741 -171.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -104.98 170.7 7.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.097 -1.002 . . . . 0.0 111.728 164.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 12.3 p -144.48 143.48 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.934 1.694 . . . . 0.0 109.692 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -95.66 150.26 20.56 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.546 1.138 . . . . 0.0 112.343 175.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 44.8 t -74.16 124.77 26.96 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.554 1.142 . . . . 0.0 112.142 170.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.74 -9.63 58.56 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -108.24 -32.03 7.65 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.98 1.264 . . . . 0.0 113.391 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.295 14.4 p -113.73 -104.67 0.4 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.28 1.032 . . . . 0.0 110.73 161.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -168.57 -3.51 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.181 2.193 . . . . 0.0 115.706 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.432 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 3.0 tppt? -47.52 151.57 0.78 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.92 2.488 . . . . 0.0 113.29 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.413 ' CD2' HCM3 ' B' ' 4' ' ' MLZ . 78.8 m95 -108.05 149.21 28.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.048 1.339 . . . . 0.0 112.857 171.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -143.85 136.25 26.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.932 1.293 . . . . 0.0 111.751 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 124.87 29.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.149 1.38 . . . . 0.0 109.509 175.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 50.3 pt -129.83 155.81 79.91 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 126.88 2.072 . . . . 0.0 111.537 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -68.24 150.14 76.43 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.547 1.498 . . . . 0.0 111.021 164.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.37 -21.79 16.86 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 67.6 m -62.47 -25.19 67.86 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.241 -0.912 . . . . 0.0 112.588 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 99.4 t -87.53 -40.03 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 110.678 171.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -20.93 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.78 0.718 . . . . 0.0 112.699 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -83.61 -20.67 59.56 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.996 1.284 . . . . 0.0 114.306 171.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 37.1 t -85.82 -42.4 14.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.931 1.292 . . . . 0.0 111.953 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.94 134.15 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.712 1.605 . . . . 0.0 109.857 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -145.29 179.68 7.22 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.773 1.629 . . . . 0.0 112.07 -172.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.71 -20.56 61.42 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.046 -1.034 . . . . 0.0 113.311 170.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 83.7 p -85.01 -14.35 47.7 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.221 1.008 . . . . 0.0 113.596 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 24.2 m -81.84 164.45 21.62 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.187 1.395 . . . . 0.0 113.479 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -137.05 75.99 1.56 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.963 1.705 . . . . 0.0 110.155 169.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -73.76 130.07 39.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.2 pt -142.35 163.66 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.99 0.916 . . . . 0.0 112.507 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.432 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 57.9 m -50.45 -45.16 55.81 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.137 0.975 . . . . 0.0 113.338 174.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.7 tpp -63.84 -23.93 67.55 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 120.052 1.296 . . . . 0.0 112.604 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.61 -14.37 48.9 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.744 1.617 . . . . 0.0 113.302 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.9 134.38 52.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.843 1.257 . . . . 0.0 112.421 -173.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 46.3 m -56.85 -42.8 80.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.364 1.466 . . . . 0.0 113.617 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.57 101.99 13.16 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.371 1.069 . . . . 0.0 111.722 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -60.5 -18.67 53.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.898 1.679 . . . . 0.0 113.88 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -66.32 -24.77 66.59 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.317 1.847 . . . . 0.0 113.397 171.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -136.08 21.79 3.25 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.441 1.496 . . . . 0.0 113.569 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -94.92 34.12 1.4 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.908 1.683 . . . . 0.0 115.036 -172.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.25 146.52 30.78 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.04 1.336 . . . . 0.0 110.722 172.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 80.3 m -56.42 -18.85 12.5 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.768 0.827 . . . . 0.0 112.211 171.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 21.8 m -89.39 -19.1 25.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.134 1.773 . . . . 0.0 114.61 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -69.92 177.42 3.14 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.1 t -78.77 -166.94 0.97 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.6 1.56 . . . . 0.0 113.185 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -147.75 147.65 30.12 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.924 2.49 . . . . 0.0 109.804 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.82 -24.13 61.66 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.694 -1.254 . . . . 0.0 113.903 -174.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 66.4 mtt -143.46 139.69 30.0 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.863 1.265 . . . . 0.0 109.091 171.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -67.37 158.91 30.51 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.63 1.559 . . . . 0.0 110.583 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.69 -33.53 74.16 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.482 -0.761 . . . . 0.0 111.752 -169.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.01 -10.25 59.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.386 1.875 . . . . 0.0 114.825 175.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -99.97 -42.13 6.9 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.729 1.612 . . . . 0.0 111.15 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.667 HG12 HCM1 ' B' ' 4' ' ' MLZ . 1.9 tp -70.42 -50.58 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.978 -0.451 . . . . 0.0 111.619 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -55.38 -26.59 42.22 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.968 -1.707 . . . . 0.0 113.893 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -70.06 -35.82 74.53 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.788 2.035 . . . . 0.0 114.368 170.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -65.28 -39.98 93.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.116 0.966 . . . . 0.0 111.759 174.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.33 -34.69 42.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.386 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 82.7 47.62 5.86 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.596 1.569 . . . . 0.0 113.077 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 39.3 pt -133.54 165.02 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 113.938 -165.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -99.89 58.75 0.78 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.085 1.802 . . . . 0.0 114.55 -174.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.02 173.64 4.42 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 117.869 0.835 . . . . 0.0 112.281 171.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.89 -31.21 66.51 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.178 1.391 . . . . 0.0 113.444 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 61.15 -64.47 0.07 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 129.448 3.099 . . . . 0.0 115.099 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -161.49 -49.46 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.723 1.609 . . . . 0.0 113.474 172.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -81.28 3.71 23.07 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 127.733 2.413 . . . . 0.0 115.01 174.371 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 854' ' ' ALA . . . . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.14 132.11 46.72 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.232 2.213 . . . . 0.0 111.124 171.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.4 t -153.33 -160.17 1.08 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.667 HCM1 HG12 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -155.87 123.95 5.74 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 168.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -38.86 73.63 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.746 1.618 . . . . 0.0 113.582 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.55 7.81 0.78 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.087 1.755 . . . . 0.0 115.183 -171.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -84.6 84.95 7.49 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 127.272 2.229 . . . . 0.0 108.734 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 61.3 t80 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.665 1.586 . . . . 0.0 112.094 -176.44 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 67.4 m -131.88 151.76 51.49 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.144 1.377 . . . . 0.0 112.534 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -134.95 51.07 2.12 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.734 2.414 . . . . 0.0 111.393 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -65.86 155.97 34.76 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.019 1.327 . . . . 0.0 112.271 -177.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -67.41 158.57 31.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 122.953 0.501 . . . . 0.0 111.457 164.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 71.2 p -105.78 175.84 5.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.571 1.548 . . . . 0.0 114.835 -168.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.65 155.51 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.673 1.589 . . . . 0.0 112.254 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -108.5 96.6 1.03 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 126.005 1.764 . . . . 0.0 109.517 165.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 63.0 p -60.94 144.04 53.89 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.853 1.661 . . . . 0.0 114.312 -173.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -160.52 165.9 30.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.964 2.506 . . . . 0.0 109.902 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -81.05 -79.07 0.16 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.483 -0.761 . . . . 0.0 112.88 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 34.3 p 55.27 -138.72 1.04 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.305 1.442 . . . . 0.0 113.75 -170.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -107.46 171.9 7.13 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.57 2.348 . . . . 0.0 112.008 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 34.5 m -47.11 143.44 3.13 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -166.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -132.16 -178.67 5.01 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.196 1.398 . . . . 0.0 113.092 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . 0.524 ' HE1' HG21 ' B' ' 6' ' ' THR . 51.2 m95 -130.54 138.64 50.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 123.742 0.817 . . . . 0.0 111.816 167.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.7 p -115.08 136.82 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.068 0.947 . . . . 0.0 111.466 -168.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.38 143.28 27.1 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.788 0.835 . . . . 0.0 111.944 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.7 124.51 23.47 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.439 0.695 . . . . 0.0 111.305 165.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.35 -12.51 61.16 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.815 1.246 . . . . 0.0 113.963 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -100.73 -29.77 12.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.752 1.16 . . . . 0.0 112.571 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.277 14.5 p -121.94 -104.22 0.39 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.746 1.218 . . . . 0.0 111.188 160.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -170.84 -4.64 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.348 2.259 . . . . 0.0 115.804 -174.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.83 141.25 13.57 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.219 0.918 . . . . 0.0 112.716 176.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -96.35 149.69 21.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.195 1.398 . . . . 0.0 111.939 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -143.27 136.67 28.24 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.258 1.823 . . . . 0.0 110.899 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.49 126.67 30.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.19 1.796 . . . . 0.0 109.67 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 41.6 pt -133.4 154.65 81.02 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 126.093 1.757 . . . . 0.0 111.548 -177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -70.49 152.33 65.47 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.521 1.481 . . . . 0.0 110.931 166.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 882' ' ' VAL . . . -51.78 -26.56 9.91 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 173.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.5 m -61.47 -25.74 67.44 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.685 0.794 . . . . 0.0 112.495 175.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 87.5 t -88.33 -41.03 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.904 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 879' ' ' ALA . 0.3 OUTLIER -68.41 -20.3 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.165 0.893 . . . . 0.0 113.341 -176.743 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -87.48 -16.22 60.69 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.756 1.17 . . . . 0.0 114.253 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 35.7 t -89.6 -39.18 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.305 1.442 . . . . 0.0 112.133 174.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.01 119.09 13.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.642 1.577 . . . . 0.0 109.041 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -111.91 162.03 15.76 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.112 1.765 . . . . 0.0 110.788 172.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -64.63 -22.69 67.04 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.031 -1.043 . . . . 0.0 113.198 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 28.9 t -70.74 -25.37 62.9 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.552 1.141 . . . . 0.0 113.166 170.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 10.5 t -83.65 171.27 13.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.314 1.446 . . . . 0.0 112.186 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.23 95.19 3.48 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.484 1.514 . . . . 0.0 110.62 175.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -77.35 133.1 38.82 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 169.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 21.9 pt -141.57 162.84 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.653 0.781 . . . . 0.0 112.476 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 81.4 m -47.97 -47.43 32.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.292 1.037 . . . . 0.0 113.158 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.26 -20.79 66.58 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 120.199 1.363 . . . . 0.0 112.973 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -14.99 42.92 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.635 1.574 . . . . 0.0 113.495 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -55.43 134.38 50.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.831 1.253 . . . . 0.0 112.253 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 9.0 m -57.2 -40.37 77.29 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.744 1.218 . . . . 0.0 113.605 172.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.83 98.74 11.64 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.124 0.964 . . . . 0.0 111.597 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.11 -18.21 45.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.263 1.825 . . . . 0.0 113.794 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.41 -25.62 66.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.767 1.627 . . . . 0.0 113.409 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -129.83 9.67 5.43 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -82.09 37.47 0.49 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.336 2.255 . . . . 0.0 114.703 -172.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.94 149.47 30.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 111.579 167.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 66.7 m -57.65 -17.3 13.96 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 125.264 1.426 . . . . 0.0 112.545 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 28.5 m -89.02 -17.64 28.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.839 1.656 . . . . 0.0 113.008 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -77.89 177.97 7.8 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 8.6 t -88.03 -161.93 0.77 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.979 1.711 . . . . 0.0 113.096 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -152.65 153.85 34.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.057 2.543 . . . . 0.0 110.163 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.96 -37.31 87.23 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.622 -1.299 . . . . 0.0 112.455 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 63.5 mtt -144.08 140.14 29.3 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.697 1.599 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.5 m -64.58 158.27 24.73 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.426 1.012 . . . . 0.0 110.79 175.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.03 -29.3 70.71 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.306 -0.871 . . . . 0.0 112.215 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -79.86 -1.44 39.09 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.832 2.053 . . . . 0.0 115.046 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -108.65 -39.64 5.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.167 1.787 . . . . 0.0 111.607 175.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -52.21 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.515 -0.741 . . . . 0.0 111.478 172.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -53.19 -30.72 39.13 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.228 -1.545 . . . . 0.0 113.475 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.32 -34.05 76.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.771 1.628 . . . . 0.0 114.095 173.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.77 -38.58 91.45 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.455 -0.778 . . . . 0.0 112.0 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 3.7 mt -77.25 -24.91 51.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.403 1.081 . . . . 0.0 112.148 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 88.78 33.14 10.19 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.686 1.613 . . . . 0.0 113.523 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 35.1 pt -138.81 173.04 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.376 1.87 . . . . 0.0 111.894 -167.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -90.27 -28.36 17.65 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.118 0.866 . . . . 0.0 114.966 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 59.41 157.83 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.076 1.75 . . . . 0.0 114.185 -154.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -83.6 -27.45 29.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 113.661 -1.608 . . . . 0.0 113.207 -173.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.28 -39.72 89.57 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.889 1.275 . . . . 0.0 112.666 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -73.46 -45.78 52.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.344 1.457 . . . . 0.0 112.315 172.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -78.79 43.49 0.5 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.24 1.416 . . . . 0.0 113.468 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.865 1.666 . . . . 0.0 113.443 179.089 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.179 0.514 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -42.91 143.47 0.73 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.805 2.442 . . . . 0.0 112.704 164.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -155.12 171.2 20.17 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -128.94 96.55 4.38 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.842 0.829 . . . . 0.0 112.268 -166.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.524 HG21 ' HE1' ' A' ' 865' ' ' TRP . 0.0 OUTLIER -66.77 -43.26 84.47 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.995 1.718 . . . . 0.0 114.889 -171.433 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 59.08 -29.13 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.135 2.174 . . . . 0.0 116.339 -164.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -73.35 70.57 1.21 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.413 2.285 . . . . 0.0 112.946 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.952 1.701 . . . . 0.0 111.957 172.721 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.766 -0.534 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 35.7 t -154.34 153.52 31.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.177 1.391 . . . . 0.0 111.775 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -58.33 -42.46 86.83 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.198 1.399 . . . . 0.0 111.983 166.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -120.7 -29.88 4.59 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.894 1.677 . . . . 0.0 115.053 -168.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . 61.11 169.38 0.1 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 127.26 2.224 . . . . 0.0 116.19 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 69.6 p -63.52 153.93 34.04 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -170.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.15 155.86 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.557 1.543 . . . . 0.0 111.231 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -59.94 -46.41 94.17 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 115.535 0.974 . . . . 0.0 115.535 -169.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 21.1 t -160.79 161.75 32.13 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.022 1.329 . . . . 0.0 112.078 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -81.6 157.53 24.69 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.668 1.187 . . . . 0.0 111.049 164.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -90.38 -88.25 0.18 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.851 0.86 . . . . 0.0 110.31 170.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 11.4 t -161.92 162.08 28.99 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.608 1.163 . . . . 0.0 112.64 171.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 56.51 -43.14 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 131.674 3.989 . . . . 0.0 118.63 174.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 74.0 m -139.26 160.66 39.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.171 1.788 . . . . 0.0 112.575 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -151.24 175.62 12.01 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.043 1.337 . . . . 0.0 111.814 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -97.31 176.61 5.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.09 -1.006 . . . . 0.0 111.625 162.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 9.6 p -146.99 139.21 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.978 1.311 . . . . 0.0 110.599 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -87.68 141.41 28.63 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.477 1.511 . . . . 0.0 110.533 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.08 119.66 15.52 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.055 0.542 . . . . 0.0 111.1 165.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.1 -13.97 62.74 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -91.02 -28.81 17.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.068 1.304 . . . . 0.0 112.864 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.288 15.4 p -122.39 -98.59 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.837 1.255 . . . . 0.0 111.407 164.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -173.81 -8.66 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.65 2.38 . . . . 0.0 114.996 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.648 ' HE2' ' SG ' ' A' ' 893' ' ' CYS . 2.8 tmmm? -45.35 146.61 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.884 2.074 . . . . 0.0 113.316 178.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . 0.453 ' CD2' ' HE2' ' B' ' 4' ' ' MLZ . 78.2 m95 -108.48 147.8 31.15 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.023 0.929 . . . . 0.0 113.478 -175.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -145.03 139.16 27.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.008 1.323 . . . . 0.0 111.983 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -82.54 126.72 32.6 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.195 1.398 . . . . 0.0 110.118 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 47.0 pt -130.09 158.9 72.67 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.032 2.133 . . . . 0.0 111.136 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -67.54 147.96 77.7 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 121.424 1.416 . . . . 0.0 110.349 162.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -60.01 -19.69 53.89 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 78.2 p -61.61 -26.36 67.93 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.095 -1.003 . . . . 0.0 112.889 170.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 75.9 t -84.81 -38.16 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.924 0.89 . . . . 0.0 110.256 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -19.54 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.93 0.786 . . . . 0.0 112.914 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -82.91 -23.21 56.23 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.9 1.238 . . . . 0.0 114.274 169.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 23.0 t -85.74 -39.81 16.77 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.019 1.328 . . . . 0.0 112.241 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.31 119.18 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.843 1.657 . . . . 0.0 108.693 172.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -80.09 158.12 26.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.526 0.731 . . . . 0.0 111.019 167.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -58.95 -33.64 70.85 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.098 -1.001 . . . . 0.0 112.339 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 78.5 p -81.93 -9.26 59.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.609 1.564 . . . . 0.0 114.298 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 17.1 t -78.56 145.32 34.89 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.339 0.972 . . . . 0.0 112.676 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -93.62 69.96 4.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.703 1.601 . . . . 0.0 111.511 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -71.37 132.15 44.42 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 164.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.2 pt -141.32 163.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.117 0.967 . . . . 0.0 112.43 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.648 ' SG ' ' HE2' ' A' ' 873' ' ' LYS . 59.0 m -50.41 -45.87 55.93 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 174.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.35 -26.07 68.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.694 1.133 . . . . 0.0 112.367 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -14.24 54.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.491 1.516 . . . . 0.0 113.434 176.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -54.99 134.64 49.04 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.06 1.344 . . . . 0.0 112.457 -173.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 12.8 m -58.61 -41.24 85.45 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.567 1.147 . . . . 0.0 113.599 172.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -86.02 100.05 11.88 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 122.018 0.913 . . . . 0.0 111.979 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -60.71 -17.48 48.48 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.095 1.758 . . . . 0.0 113.928 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -64.76 -25.84 68.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.505 1.522 . . . . 0.0 113.284 170.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -132.3 8.75 4.34 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -83.33 40.13 0.7 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.144 2.178 . . . . 0.0 115.35 -168.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -147.81 150.1 33.56 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.677 1.591 . . . . 0.0 111.558 169.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 74.3 m -58.22 -21.69 48.96 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.662 1.185 . . . . 0.0 112.065 171.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 45.5 m -84.95 -20.31 30.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.663 1.585 . . . . 0.0 113.27 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.42 169.11 18.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.177 0.991 . . . . 0.0 112.958 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 9.3 t -91.38 -159.79 0.67 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.422 1.489 . . . . 0.0 112.458 -175.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.27 163.43 38.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.867 2.467 . . . . 0.0 111.218 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.47 -26.04 65.28 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -172.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.5 mmt -144.88 136.19 25.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.36 1.064 . . . . 0.0 111.921 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 1.6 m -62.66 157.2 21.4 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.649 0.659 . . . . 0.0 111.575 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -60.88 -33.0 72.43 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -164.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.89 -16.77 54.68 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.512 1.525 . . . . 0.0 113.574 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -88.74 -41.66 12.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.074 1.35 . . . . 0.0 111.587 174.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . . . . . . . . 0.25 1.4 tp -65.05 -58.51 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 118.743 0.701 . . . . 0.0 111.344 171.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -55.39 -29.05 57.77 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 120.08 -1.637 . . . . 0.0 114.286 -173.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -65.42 -31.3 72.33 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.313 1.845 . . . . 0.0 114.753 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -58.88 -34.46 71.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.231 1.412 . . . . 0.0 112.536 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . 0.557 ' CD2' ' H ' ' B' ' 5' ' ' GLN . 1.7 mp -96.26 -32.72 12.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.44 1.096 . . . . 0.0 112.218 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.93 4.75 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.255 1.407 . . . . 0.0 113.021 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 18.2 pt -129.86 177.15 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.138 1.775 . . . . 0.0 112.118 -171.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -115.52 173.0 14.49 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.284 1.897 . . . . 0.0 111.665 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -152.68 -179.94 8.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.286 2.634 . . . . 0.0 112.804 -167.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -64.56 -20.83 66.47 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.739 1.616 . . . . 0.0 113.406 168.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 63.09 -63.67 0.12 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 129.501 3.12 . . . . 0.0 113.878 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -164.6 -51.52 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.276 1.83 . . . . 0.0 111.976 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 26.7 t0 54.57 16.43 1.33 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.979 1.712 . . . . 0.0 114.449 -168.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.913 1.685 . . . . 0.0 113.36 177.374 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 116.756 -1.593 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 63.02 132.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 127.547 2.339 . . . . 0.0 112.46 -155.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -158.42 -164.6 1.5 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 169.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.453 ' HE2' ' CD2' ' A' ' 874' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.557 ' H ' ' CD2' ' A' ' 919' ' ' LEU . 9.9 pm0 -140.52 45.22 1.83 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -166.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.8 p -58.15 121.21 10.14 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 121.028 -1.045 . . . . 0.0 113.745 -171.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.33 -11.84 59.93 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.392 1.077 . . . . 0.0 113.567 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -74.22 78.05 1.8 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.981 1.712 . . . . 0.0 110.491 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 p90 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.952 1.701 . . . . 0.0 113.318 178.464 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 56.8 p -78.33 173.64 12.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.355 1.062 . . . . 0.0 113.199 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 -65.41 -6.63 10.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.851 1.66 . . . . 0.0 114.898 170.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 67.11 -50.98 0.48 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 129.316 3.047 . . . . 0.0 115.084 -176.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -157.77 156.78 32.18 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.543 1.537 . . . . 0.0 112.093 175.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 44.8 p -150.36 169.42 21.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.12 1.768 . . . . 0.0 112.812 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . 0.31 17.8 m 59.27 163.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 129.804 3.242 . . . . 0.0 116.246 -177.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 110.51 132.53 6.23 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.86 1.695 . . . . 0.0 110.63 -164.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 43.1 m -134.36 162.52 31.98 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.894 1.278 . . . . 0.0 112.981 -165.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -66.16 153.72 41.65 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.678 1.191 . . . . 0.0 113.304 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -149.6 -47.33 0.14 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.741 2.016 . . . . 0.0 111.43 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 1.4 p -143.01 134.5 26.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.696 1.598 . . . . 0.0 114.814 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 51.48 -173.04 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 127.692 2.397 . . . . 0.0 116.839 166.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 54.7 p -51.63 151.82 3.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.154 1.782 . . . . 0.0 113.006 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -141.06 -179.86 6.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.353 0.661 . . . . 0.0 112.44 -167.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -97.09 177.22 5.66 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.174 -0.954 . . . . 0.0 112.758 167.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 10.4 p -148.77 140.92 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.959 1.704 . . . . 0.0 110.594 167.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -83.75 143.58 29.91 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.606 1.162 . . . . 0.0 110.956 172.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 51.2 t -68.57 120.5 14.69 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 121.199 0.523 . . . . 0.0 109.943 160.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -67.72 -9.99 48.58 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.36 1.464 . . . . 0.0 113.948 172.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -105.18 -27.35 11.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.488 1.115 . . . . 0.0 112.874 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . . 68.0 m -104.59 -113.21 0.24 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.837 1.655 . . . . 0.0 110.436 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 47.4 p90 179.29 -16.79 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 1 C-N-CA 132.0 4.12 . . . . 0.0 110.435 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . 0.489 ' HE3' ' SG ' ' A' ' 893' ' ' CYS . 0.1 OUTLIER -40.45 148.62 0.09 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.057 2.943 . . . . 0.0 112.907 164.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -117.9 157.76 26.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.895 1.278 . . . . 0.0 113.305 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -146.27 139.02 25.46 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.96 1.304 . . . . 0.0 111.594 171.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 124.57 27.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.849 1.66 . . . . 0.0 109.453 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 37.0 pt -129.71 156.18 79.23 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.669 2.388 . . . . 0.0 111.467 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.95 151.23 73.64 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 121.501 1.467 . . . . 0.0 111.372 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.19 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 66.6 m -63.13 -24.79 68.06 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.276 -0.89 . . . . 0.0 112.684 174.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 86.7 t -89.34 -38.91 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.125 0.97 . . . . 0.0 110.727 172.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.42 -22.21 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.037 0.835 . . . . 0.0 112.744 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -81.96 -17.94 68.73 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.835 1.207 . . . . 0.0 114.346 172.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 34.5 t -90.94 -39.91 12.0 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.329 1.451 . . . . 0.0 112.409 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.5 118.27 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.278 1.431 . . . . 0.0 109.907 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -92.43 165.96 12.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.725 1.61 . . . . 0.0 112.473 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -54.45 -43.51 71.7 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.286 -0.884 . . . . 0.0 111.833 171.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 35.9 m -82.26 7.3 14.18 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.012 1.725 . . . . 0.0 114.514 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 8.6 t -73.27 -176.45 2.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.542 1.137 . . . . 0.0 113.151 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -138.19 53.85 1.8 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.77 2.028 . . . . 0.0 112.091 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -70.76 128.17 35.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 17.0 pt -141.08 164.21 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.837 0.855 . . . . 0.0 112.265 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . 0.489 ' SG ' ' HE3' ' A' ' 873' ' ' LYS . 13.6 m -48.14 -45.95 33.81 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.906 0.882 . . . . 0.0 112.798 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.25 -13.97 62.48 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.798 -1.189 . . . . 0.0 113.91 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -12.37 28.62 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.746 1.618 . . . . 0.0 113.213 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.92 135.47 48.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.207 1.403 . . . . 0.0 112.732 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 14.6 m -58.05 -41.88 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.835 1.254 . . . . 0.0 113.708 171.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -85.21 98.59 10.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.204 1.002 . . . . 0.0 111.795 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -59.84 -18.09 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.551 1.94 . . . . 0.0 113.945 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.29 -24.38 65.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.504 1.522 . . . . 0.0 113.407 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -132.17 14.16 4.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.953 1.301 . . . . 0.0 113.882 -174.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -90.7 40.09 1.01 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.938 2.095 . . . . 0.0 114.519 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -141.61 146.59 36.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.127 1.371 . . . . 0.0 110.553 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 75.6 m -61.31 -10.22 6.66 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.358 1.063 . . . . 0.0 112.943 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 34.9 m -93.31 -16.68 24.44 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.171 1.388 . . . . 0.0 113.439 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 906' ' ' LYS . 9.0 mmpt? -79.41 177.02 9.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 87.5 p -97.41 -164.97 1.2 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.86 2.864 . . . . 0.0 113.123 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -150.31 167.49 26.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.04 1.736 . . . . 0.0 111.182 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.82 -34.81 68.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -146.81 135.08 21.74 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.548 1.539 . . . . 0.0 111.241 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 5.6 p -65.19 162.01 18.05 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.434 1.015 . . . . 0.0 112.811 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -66.09 -22.66 66.41 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -168.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -77.86 -5.61 51.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.915 1.286 . . . . 0.0 113.947 170.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -108.73 -45.3 3.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.991 1.716 . . . . 0.0 111.231 171.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.561 HG13 ' HZ ' ' B' ' 4' ' ' MLZ 0.272 1.0 OUTLIER -78.85 14.96 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 123.608 1.671 . . . . 0.0 115.23 174.563 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -107.29 -35.77 6.72 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 120.495 -1.378 . . . . 0.0 112.825 156.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.81 -32.65 73.35 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.685 1.594 . . . . 0.0 113.478 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.45 -30.27 68.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.642 0.777 . . . . 0.0 112.563 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.91 -30.78 10.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.706 1.202 . . . . 0.0 112.852 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.8 7.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.279 1.419 . . . . 0.0 113.303 -176.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 50.1 pt -107.59 166.82 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 126.073 1.749 . . . . 0.0 112.818 -172.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -112.18 56.21 0.48 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.994 1.759 . . . . 0.0 114.274 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 167.57 9.48 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 122.165 0.983 . . . . 0.0 112.624 175.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -65.52 -21.81 66.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.345 1.458 . . . . 0.0 114.232 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 62.47 -67.24 0.08 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.521 3.128 . . . . 0.0 113.677 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -75.9 -53.41 8.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.246 1.418 . . . . 0.0 111.573 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 11.6 t0 51.5 18.8 0.72 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.201 1.801 . . . . 0.0 114.755 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.324 1.849 . . . . 0.0 112.377 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 119.871 -0.109 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.02 173.82 7.03 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 163.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.1 t -157.02 -159.79 0.89 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.589 0.756 . . . . 0.0 112.663 169.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.561 ' HZ ' HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.71 97.47 3.79 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.136 -0.978 . . . . 0.0 113.16 -178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -45.46 77.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -166.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 51.53 27.65 4.02 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.776 1.23 . . . . 0.0 114.309 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -162.66 125.49 2.81 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.278 2.631 . . . . 0.0 107.886 -169.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.214 1.406 . . . . 0.0 113.316 -165.473 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 8.5 t 58.31 -173.12 0.09 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.384 1.474 . . . . 0.0 113.235 -167.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -67.91 -15.59 63.69 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.9 1.68 . . . . 0.0 114.115 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 63.8 151.82 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 128.257 2.623 . . . . 0.0 113.96 -169.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -91.4 158.5 16.48 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.811 1.244 . . . . 0.0 112.523 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 9.3 p -166.31 155.44 11.29 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' VAL . . . . . . . . . . . . . 21.0 m -143.74 162.14 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.499 1.92 . . . . 0.0 110.956 170.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -78.75 51.45 3.76 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.019 1.771 . . . . 0.0 115.436 -171.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 48.8 m -65.61 141.57 58.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.843 1.257 . . . . 0.0 112.217 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 859' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -148.76 151.58 35.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.34 1.456 . . . . 0.0 112.24 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 860' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -152.93 -46.22 0.1 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.327 1.451 . . . . 0.0 113.075 -175.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 861' ' ' THR . . . . . . . . . . . . . 15.1 t -136.47 -151.68 0.42 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.215 1.406 . . . . 0.0 112.766 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 862' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.56 163.04 1.94 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.756 2.422 . . . . 0.0 114.475 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 43.3 m -33.18 131.33 0.19 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 127.109 2.163 . . . . 0.0 114.175 171.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.741 ' HB3' HG11 ' A' ' 882' ' ' VAL . . . -113.83 -172.27 2.05 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.944 0.898 . . . . 0.0 111.973 -160.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 865' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -101.41 172.67 6.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.721 0.772 . . . . 0.0 111.908 170.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 866' ' ' VAL . . . . . . . . . . . . . 13.5 p -146.61 141.81 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.665 1.586 . . . . 0.0 109.691 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.29 148.22 22.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.907 0.883 . . . . 0.0 111.106 175.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 868' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.79 124.15 23.25 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.07 0.462 . . . . 0.0 111.296 164.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 869' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.54 -4.67 12.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.405 1.482 . . . . 0.0 113.876 166.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -122.33 -16.31 7.41 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.045 1.293 . . . . 0.0 114.12 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 871' ' ' CYS . . . . . . . . . . . . 0.274 17.0 p -124.73 -110.78 0.31 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.283 1.033 . . . . 0.0 110.992 155.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -169.52 -2.13 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.605 2.362 . . . . 0.0 115.561 -173.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 873' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -53.36 153.39 3.99 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.841 1.656 . . . . 0.0 112.507 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 874' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -108.64 149.0 29.55 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.362 1.065 . . . . 0.0 113.008 170.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 875' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -131.68 133.38 44.82 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.586 1.554 . . . . 0.0 110.63 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 876' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -72.31 124.14 24.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.496 1.119 . . . . 0.0 109.781 169.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 877' ' ' ILE . . . . . . . . . . . . . 22.6 pt -132.55 153.35 81.12 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 125.793 1.637 . . . . 0.0 111.581 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 878' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 147.03 70.45 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.699 1.599 . . . . 0.0 112.189 171.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.437 ' HA ' HG13 ' A' ' 882' ' ' VAL . . . -54.97 -17.97 4.43 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.194 1.398 . . . . 0.0 114.142 175.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 15.0 m -59.24 -26.28 64.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.345 1.458 . . . . 0.0 113.282 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 881' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -27.12 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 882' ' ' VAL . . . . . 0.741 HG11 ' HB3' ' A' ' 864' ' ' ALA . 2.6 m -59.53 -29.88 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.891 0.769 . . . . 0.0 112.573 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -84.07 1.85 88.31 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.183 1.849 . . . . 0.0 115.005 173.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 27.6 t -123.96 -25.3 4.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.584 1.954 . . . . 0.0 113.132 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 885' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.26 126.97 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 121.263 -0.898 . . . . 0.0 109.152 166.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 886' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -143.61 171.08 14.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.355 2.662 . . . . 0.0 109.357 175.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 887' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.1 -18.3 63.25 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 120.301 1.41 . . . . 0.0 114.062 172.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 34.1 t -64.91 -25.93 68.09 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.102 -0.999 . . . . 0.0 112.312 167.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 889' ' ' SER . . . . . . . . . . . . . 22.8 t -95.78 169.57 9.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.968 2.107 . . . . 0.0 110.995 162.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 890' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -140.01 109.24 6.12 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.913 -1.117 . . . . 0.0 109.229 159.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 891' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -83.28 134.34 34.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.903 1.681 . . . . 0.0 110.184 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 892' ' ' ILE . . . . . . . . . . . . . 18.5 pt -139.85 162.79 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.054 -1.029 . . . . 0.0 113.071 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 893' ' ' CYS . . . . . . . . . . . . . 63.8 m -50.23 -42.1 51.11 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.322 1.049 . . . . 0.0 113.554 174.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 894' ' ' MET . . . . . . . . . . . . . 46.5 tpp -67.62 -22.26 65.35 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.122 1.328 . . . . 0.0 113.022 -177.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 895' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -13.15 49.93 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.467 1.507 . . . . 0.0 113.229 174.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 896' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.2 134.36 49.63 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.976 1.311 . . . . 0.0 112.908 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 897' ' ' SER . . . . . . . . . . . . . 49.3 m -56.59 -42.69 79.13 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.415 1.486 . . . . 0.0 113.74 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 898' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.54 98.51 10.17 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.037 0.935 . . . . 0.0 111.904 -173.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 899' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.55 -19.68 50.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.891 1.676 . . . . 0.0 113.696 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 900' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -65.67 -25.92 67.56 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.876 1.671 . . . . 0.0 113.527 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 901' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.05 5.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -172.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 902' ' ' ALA . . . . . . . . . . . . . . . -79.7 40.69 0.46 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.59 2.756 . . . . 0.0 115.006 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 903' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -145.71 151.47 38.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.986 0.914 . . . . 0.0 110.685 163.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 904' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.2 -14.18 3.9 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 124.336 1.054 . . . . 0.0 112.099 165.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . . . . . . . . . 48.8 m -94.75 -19.44 20.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.206 1.402 . . . . 0.0 113.036 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 906' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.71 175.88 8.95 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.703 0.801 . . . . 0.0 113.103 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 907' ' ' SER . . . . . . . . . . . . . 97.0 p -82.93 -168.03 1.9 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.567 2.347 . . . . 0.0 113.935 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -153.22 164.0 38.87 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.688 2.795 . . . . 0.0 109.247 169.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -68.35 -30.18 69.08 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.71 -1.244 . . . . 0.0 113.76 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 64.3 mtt -144.88 125.85 14.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.841 0.856 . . . . 0.0 110.97 175.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 4.7 m -62.5 159.99 14.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 912' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.59 -29.78 64.76 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -165.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 913' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.49 -3.91 59.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.264 1.826 . . . . 0.0 115.04 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -103.67 -37.13 7.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.02 1.728 . . . . 0.0 113.014 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 915' ' ' ILE . . . . . 0.712 HG13 HCM2 ' B' ' 4' ' ' MLZ . 1.5 tp -63.72 -55.22 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.956 1.253 . . . . 0.0 110.638 174.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 916' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -53.95 -29.82 44.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.938 -1.101 . . . . 0.0 113.486 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 917' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.23 -34.81 78.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.884 1.674 . . . . 0.0 114.258 171.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -65.77 -37.14 85.51 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.001 0.819 . . . . 0.0 112.125 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 919' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.3 -28.86 47.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.102 0.961 . . . . 0.0 112.361 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.33 36.9 6.82 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.66 1.6 . . . . 0.0 113.547 178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 921' ' ' ILE . . . . . . . . . . . . . 27.9 pt -136.43 171.35 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.201 1.8 . . . . 0.0 112.407 -168.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 922' ' ' GLY . . . . . . . . . . . . . . . -90.77 -32.83 8.82 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.324 0.964 . . . . 0.0 114.748 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 65.53 157.88 0.1 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.37 2.268 . . . . 0.0 115.829 -162.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.09 -36.43 83.17 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 113.791 -1.55 . . . . 0.0 113.179 -170.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 925' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -69.25 -33.91 73.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.465 0.706 . . . . 0.0 112.42 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -78.38 -42.13 31.2 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.863 1.265 . . . . 0.0 112.605 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 927' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -77.28 6.81 6.06 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.215 1.806 . . . . 0.0 113.804 179.118 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.765 -0.087 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -40.3 133.53 1.81 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.097 2.159 . . . . 0.0 111.846 175.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t -153.72 -171.18 3.81 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' MLZ . . . . . 0.712 HCM2 HG13 ' A' ' 915' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -139.26 111.25 7.33 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.261 1.024 . . . . 0.0 112.467 -173.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -63.69 131.83 49.16 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.464 1.106 . . . . 0.0 111.647 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.81 7.13 7.54 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.721 1.208 . . . . 0.0 113.618 172.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -151.41 118.64 5.94 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 127.076 2.15 . . . . 0.0 109.96 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 30.3 t80 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.744 -1.122 . . . . 0.0 112.101 174.252 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_