data_6x23_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 6x23 _Structure_validation_residue.Date_analyzed 2020-11-28 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 ecloud orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 112.007 0.373 . . . . 67.739999999999995 112.007 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 448' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -91.01 139.2 2.51 Favored 'Trans proline' 0 C--O 1.235 0.355 0 CA-C-O 122.684 1.035 . . . . 50.539999999999999 111.866 171.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 449' ' ' GLU . . . . . 0.49 ' OE2' ' NH2' ' A' ' 503' ' ' ARG . 8.7 pt-20 -126.74 156.34 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 118.693 -1.203 . . . . 58.130000000000003 110.406 178.739 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -118.85 150.77 17.92 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 109.096 -1.602 . . . . 30.030000000000001 109.096 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -94.68 148.75 21.95 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.515 0.674 . . . . 29.550000000000001 110.677 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 47.0 mmm -146.66 149.5 33.61 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 107.619 -1.252 . . . . 33.670000000000002 107.619 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -97.6 143.56 28.15 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.248 -1.019 . . . . 23.780000000000001 108.248 175.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 11.1 mp -137.52 146.71 44.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.569 -0.9 . . . . 25.260000000000002 108.569 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 455' ' ' ILE . . . . . . . . . . . . . 66.8 mt -128.46 129.18 68.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 107.851 -1.166 . . . . 38.409999999999997 107.851 173.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 4.6 mt -131.11 125.1 57.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 N-CA-C 108.561 -0.903 . . . . 28.699999999999999 108.561 -170.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 457' ' ' MET . . . . . . . . . . . . . 23.6 mmt -81.69 141.95 33.14 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.471 -1.307 . . . . 79.019999999999996 107.471 173.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 458' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 529' ' ' ASP . 33.3 ttm-85 -73.98 136.29 43.2 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.594 -0.842 . . . . 35.810000000000002 109.664 179.463 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -85.88 -163.21 37.51 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.665 -0.974 . . . . 42.149999999999999 110.665 173.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -92.15 -13.05 31.26 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 118.366 -1.334 . . . . 72.379999999999995 112.59 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -110.42 11.06 23.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.595 0.18 . . . . 50.009999999999998 111.208 167.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 462' ' ' GLY . . . . . . . . . . . . . . . 118.13 -154.87 16.37 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.498 -0.858 . . . . 34.469999999999999 113.784 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -83.69 -30.39 26.83 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.588 0.228 . . . . 33.710000000000001 111.268 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . 98.56 41.11 3.24 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 115.973 1.149 . . . . 32.799999999999997 115.973 171.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -155.83 163.0 40.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.334 -0.946 . . . . 34.369999999999997 109.133 177.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 466' ' ' ARG . . . . . 0.628 ' CD ' ' ND2' ' A' ' 486' ' ' ASN . 4.1 mtt-85 -110.35 118.66 36.9 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.413 -0.958 . . . . 74.090000000000003 108.413 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.95 152.06 21.4 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.788 -1.19 . . . . 44.390000000000001 107.788 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 468' ' ' SER . . . . . . . . . . . . . 30.6 t -154.29 136.27 14.63 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 118.539 -1.265 . . . . 53.140000000000001 108.458 -170.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . 161.75 -153.72 24.52 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 116.333 -2.842 . . . . 62.729999999999997 111.527 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.19 119.33 5.77 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 125.426 1.309 . . . . 71.359999999999999 112.031 -170.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 471' ' ' THR . . . . . 0.641 ' OG1' ' OG ' ' B' ' 6' ' ' SER . 4.0 m -66.68 -34.9 78.88 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.074 -0.65 . . . . 81.629999999999995 110.845 175.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 . . . . . 0 C--N 1.332 -0.188 0 O-C-N 122.024 -0.423 . . . . 88.409999999999997 110.028 173.658 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 N-CA-C 110.308 -0.256 . . . . 69.439999999999998 110.308 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -150.28 -60.97 0.2 Allowed 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.4 -0.593 . . . . 63.68 109.4 165.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.57 177.66 19.78 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-O 122.334 0.963 . . . . 63.140000000000001 113.67 161.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 482' ' ' GLN . . . . . 0.728 ' N ' ' O ' ' A' ' 601' ' ' HOH . 66.7 mm-40 -70.59 167.85 17.65 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.411 -0.895 . . . . 48.729999999999997 109.676 -179.282 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 483' ' ' TRP . . . . . 0.424 ' CH2' ' CZ ' ' A' ' 485' ' ' ARG . 40.6 p-90 -155.8 160.7 40.47 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 118.808 -1.157 . . . . 68.489999999999995 111.552 -179.372 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 484' ' ' VAL . . . . . . . . . . . . . 21.7 t -86.53 116.0 28.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 114.241 -1.345 . . . . 44.109999999999999 108.285 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 485' ' ' ARG . . . . . 0.424 ' CZ ' ' CH2' ' A' ' 483' ' ' TRP . 0.4 OUTLIER -91.33 -27.34 18.44 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 116.549 -1.691 . . . . 79.010000000000005 111.658 -174.272 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 486' ' ' ASN . . . . . 0.628 ' ND2' ' CD ' ' A' ' 466' ' ' ARG . 3.0 p30 -170.99 159.53 6.14 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 126.337 2.273 . . . . 63.990000000000002 108.608 177.791 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 487' ' ' VAL . . . . . . . . . . . . . 12.0 t -140.63 136.24 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 118.11 -0.947 . . . . 31.050000000000001 109.531 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.34 113.53 9.05 Favored Pre-proline 0 C--O 1.239 0.519 0 O-C-N 124.407 1.067 . . . . 49.990000000000002 109.977 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 489' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -60.77 -23.77 77.24 Favored 'Trans proline' 0 C--O 1.234 0.292 0 CA-C-N 119.568 0.881 . . . . 26.41 113.179 -177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -97.65 3.19 50.4 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.288 0.949 . . . . 32.130000000000003 113.234 174.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . -90.49 173.04 38.35 Favored Glycine 0 CA--C 1.541 1.704 0 CA-C-O 123.569 1.649 . . . . 29.18 114.901 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 492' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -67.25 -33.08 74.58 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 113.435 0.902 . . . . 48.609999999999999 113.435 -173.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.49 70.09 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.834 -0.746 . . . . 27.440000000000001 110.774 178.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.52 66.63 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.439 -0.504 . . . . 25.07 110.465 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -32.06 73.41 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.851 -0.34 . . . . 78.040000000000006 111.439 179.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -87.93 -3.8 58.89 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 119.348 -0.941 . . . . 29.920000000000002 112.526 176.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . 94.5 16.3 43.48 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 115.112 0.805 . . . . 32.5 115.112 172.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 498' ' ' LEU . . . . . . . . . . . . . 20.3 tp -64.05 141.16 58.87 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.122 -1.066 . . . . 26.440000000000001 108.122 167.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 499' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -133.69 154.64 50.78 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 119.003 -1.079 . . . . 45.109999999999999 110.103 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -55.4 139.02 44.6 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.125 -0.943 . . . . 42.990000000000002 109.335 177.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 92.4 -24.56 22.15 Favored Glycine 0 N--CA 1.431 -1.693 0 CA-C-O 119.314 -0.714 . . . . 43.640000000000001 114.113 -177.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -49.34 129.19 18.26 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 118.226 1.013 . . . . 34.789999999999999 109.568 171.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' ARG . . . . . 0.49 ' NH2' ' OE2' ' A' ' 449' ' ' GLU . 58.6 ttp85 -105.12 133.23 50.25 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.432 -0.581 . . . . 47.380000000000003 109.432 -179.007 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' LEU . . . . . . . . . . . . . 9.9 tp -77.13 123.7 26.78 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 123.052 0.541 . . . . 44.100000000000001 110.353 -172.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 5.5 mp -111.92 -47.63 3.12 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.686 0.624 . . . . 38.68 112.686 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -133.02 142.47 48.82 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.449 -0.782 . . . . 34.939999999999998 109.141 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 44.6 tp -122.65 116.68 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 106.148 -1.797 . . . . 29.59 106.148 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 49.61 50.91 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 122.433 1.111 . . . . 24.079999999999998 111.013 -177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 63.15 16.11 57.33 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 119.88 -1.153 . . . . 37.829999999999998 115.169 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' VAL . . . . . . . . . . . . . 84.0 t -109.62 133.97 53.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 118.649 1.225 . . . . 30.620000000000001 107.911 172.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' ASP . . . . . 0.443 ' OD1' ' OG ' ' A' ' 513' ' ' SER . 65.2 t0 -63.19 122.08 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.227 -0.589 . . . . 56.640000000000001 110.158 171.772 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.84 22.65 2.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 110.109 -0.33 . . . . 38.060000000000002 110.109 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' SER . . . . . 0.443 ' OG ' ' OD1' ' A' ' 511' ' ' ASP . 5.2 p -75.08 -16.7 60.56 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 113.018 0.747 . . . . 49.530000000000001 113.018 -175.735 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -117.98 28.46 8.38 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.303 1.041 . . . . 52.590000000000003 112.255 -173.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -103.62 171.4 7.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.017 0.913 . . . . 49.869999999999997 110.44 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 89.8 p -77.29 153.23 34.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.679 -1.146 . . . . 45.43 110.145 171.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -55.49 -32.47 62.87 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.858 -0.737 . . . . 54.07 112.268 178.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -86.46 -32.8 20.63 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 117.684 -1.606 . . . . 64.349999999999994 111.443 -171.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -63.35 -42.06 98.9 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 118.854 -1.138 . . . . 52.600000000000001 110.301 175.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.04 -50.96 77.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 121.095 0.474 . . . . 39.609999999999999 110.522 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.13 -47.0 93.73 Favored 'Isoleucine or valine' 0 C--O 1.244 0.783 0 CA-C-O 121.198 0.523 . . . . 35.170000000000002 110.821 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -58.67 -44.08 90.09 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.028 -0.669 . . . . 50.719999999999999 111.163 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.3 -34.44 76.16 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 120.2 -0.6 . . . . 31.100000000000001 111.091 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.92 -44.67 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 118.445 -1.302 . . . . 24.739999999999998 110.197 173.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -68.89 -25.54 64.66 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 119.388 -0.925 . . . . 52.0 112.392 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -91.61 0.14 57.53 Favored 'General case' 0 C--O 1.252 1.201 0 C-N-CA 123.541 0.736 . . . . 27.989999999999998 112.624 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 22.3 t -72.88 -13.84 61.36 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 119.204 -0.427 . . . . 25.309999999999999 111.865 -175.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 89.69 -143.71 17.34 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-O 122.041 0.8 . . . . 29.489999999999998 112.382 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 458' ' ' ARG . 79.9 m-20 -81.01 -22.69 39.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 118.153 -1.419 . . . . 54.869999999999997 112.432 -172.671 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 11.2 t -124.48 147.37 29.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 123.484 0.713 . . . . 38.740000000000002 109.109 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 6.0 p -136.24 151.74 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 106.612 -1.625 . . . . 25.59 106.612 174.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' ALA . . . . . . . . . . . . . . . -126.07 135.43 51.73 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.098 -0.704 . . . . 22.920000000000002 109.098 172.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -122.02 140.87 51.96 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 125.041 1.336 . . . . 23.870000000000001 108.096 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -109.91 131.65 54.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.635 -1.246 . . . . 26.0 107.635 154.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' ILE . . . . . . . . . . . . . 2.3 pp -133.58 164.8 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.715 0.769 . . . . 24.010000000000002 110.383 -173.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -115.23 133.4 56.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 114.534 -1.212 . . . . 31.859999999999999 108.826 175.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -131.45 130.91 43.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.423 0.689 . . . . 34.560000000000002 109.595 -168.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' ARG . . . . . 0.967 ' O ' ' NH1' ' A' ' 538' ' ' ARG . 0.0 OUTLIER -55.39 134.96 50.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.637 -0.71 . . . . 70.689999999999998 109.831 177.325 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.74 -48.47 4.28 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 117.444 -1.702 . . . . 46.719999999999999 112.681 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 43.1 t -56.07 -67.2 0.82 Allowed Pre-proline 0 C--O 1.242 0.661 0 N-CA-C 106.998 -1.482 . . . . 69.510000000000005 106.998 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo . . . . . 0 C--N 1.359 1.123 1 C-N-CA 110.931 -5.579 . . . . 72.420000000000002 113.002 168.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo . . . . . 0 C--O 1.235 0.346 0 CA-C-O 119.352 -0.353 . . . . 97.590000000000003 111.299 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLU . . . . . 0.641 ' O ' ' OG ' ' B' ' 6' ' ' SER . 10.5 tp10 -75.18 -37.67 61.16 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 117.993 -1.483 . . . . 86.200000000000003 110.194 168.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . 0.641 ' OG ' ' OG1' ' A' ' 471' ' ' THR . 74.3 m 175.37 111.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 124.057 0.943 . . . . 72.760000000000005 109.263 172.697 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -121.12 150.62 40.97 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 118.168 0.44 . . . . 69.409999999999997 109.85 -172.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 72.8 m -163.64 138.11 6.0 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 123.214 0.606 . . . . 50.68 109.404 -175.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -90.41 137.0 32.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.222 -0.659 . . . . 49.189999999999998 109.222 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 CA--C 1.564 1.485 0 N-CA-C 114.197 1.184 . . . . 34.880000000000003 114.197 -177.992 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . 0.728 ' O ' ' N ' ' A' ' 482' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 112.007 0.373 . . . . 67.74 112.007 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 448' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -91.01 139.2 2.51 Favored 'Trans proline' 0 C--O 1.235 0.355 0 CA-C-O 122.684 1.035 . . . . 50.54 111.866 171.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 449' ' ' GLU . . . . . 0.478 ' OE2' ' NH2' ' A' ' 503' ' ' ARG . 8.7 pt-20 -126.74 156.34 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 118.693 -1.203 . . . . 58.13 110.406 178.739 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -118.85 150.77 17.92 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 109.096 -1.602 . . . . 30.03 109.096 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -94.68 148.75 21.95 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.515 0.674 . . . . 29.55 110.677 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 47.0 mmm -146.66 149.5 33.61 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 107.619 -1.252 . . . . 33.67 107.619 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -97.6 143.56 28.15 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.248 -1.019 . . . . 23.78 108.248 175.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 11.1 mp -137.52 146.71 44.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.569 -0.9 . . . . 25.26 108.569 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 455' ' ' ILE . . . . . . . . . . . . . 66.8 mt -128.46 129.18 68.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 107.851 -1.166 . . . . 38.41 107.851 173.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 4.6 mt -131.11 125.1 57.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 N-CA-C 108.561 -0.903 . . . . 28.7 108.561 -170.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 457' ' ' MET . . . . . . . . . . . . . 23.6 mmt -81.69 141.95 33.14 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.471 -1.307 . . . . 79.02 107.471 173.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 458' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 622' ' ' HOH . 33.3 ttm-85 -73.98 136.29 43.2 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.594 -0.842 . . . . 35.81 109.664 179.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -85.88 -163.21 37.51 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.665 -0.974 . . . . 42.15 110.665 173.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -92.15 -13.05 31.26 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 118.366 -1.334 . . . . 72.38 112.59 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -110.42 11.06 23.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.595 0.18 . . . . 50.01 111.208 167.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 462' ' ' GLY . . . . . . . . . . . . . . . 118.13 -154.87 16.37 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.498 -0.858 . . . . 34.47 113.784 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -83.69 -30.39 26.83 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.588 0.228 . . . . 33.71 111.268 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . 98.56 41.11 3.24 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 115.973 1.149 . . . . 32.8 115.973 171.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 465' ' ' PHE . . . . . 0.503 ' HB3' HG22 ' A' ' 487' ' ' VAL . 44.2 p90 -155.83 163.0 40.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.334 -0.946 . . . . 34.37 109.133 177.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 466' ' ' ARG . . . . . 0.942 ' HD2' ' OD1' ' A' ' 486' ' ' ASN . 4.1 mtt-85 -110.35 118.66 36.9 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.413 -0.958 . . . . 74.09 108.413 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.95 152.06 21.4 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.788 -1.19 . . . . 44.39 107.788 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 468' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' B' ' 6' ' ' SER . 30.6 t -154.29 136.27 14.63 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 118.539 -1.265 . . . . 53.14 108.458 -170.466 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 469' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' B' ' 5' ' ' GLU . . . 161.75 -153.72 24.52 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 116.333 -2.842 . . . . 62.73 111.527 173.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.19 119.33 5.77 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 125.426 1.309 . . . . 71.36 112.031 -170.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 4.0 m -66.68 -34.9 78.88 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.074 -0.65 . . . . 81.63 110.845 175.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 . . . . . 0 C--N 1.332 -0.188 0 O-C-N 122.024 -0.423 . . . . 88.41 110.028 173.658 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 N-CA-C 110.308 -0.256 . . . . 69.44 110.308 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -150.28 -60.97 0.2 Allowed 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.4 -0.593 . . . . 63.68 109.4 165.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.57 177.66 19.78 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-O 122.334 0.963 . . . . 63.14 113.67 161.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 482' ' ' GLN . . . . . 0.683 ' N ' ' O ' ' A' ' 601' ' ' HOH . 66.7 mm-40 -70.59 167.85 17.65 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.411 -0.895 . . . . 48.73 109.676 -179.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 483' ' ' TRP . . . . . 0.424 ' CH2' ' CZ ' ' A' ' 485' ' ' ARG . 40.6 p-90 -155.8 160.7 40.47 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 118.808 -1.157 . . . . 68.49 111.552 -179.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 484' ' ' VAL . . . . . . . . . . . . . 21.7 t -86.53 116.0 28.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 114.241 -1.345 . . . . 44.11 108.285 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 485' ' ' ARG . . . . . 0.424 ' CZ ' ' CH2' ' A' ' 483' ' ' TRP . 0.4 OUTLIER -91.33 -27.34 18.44 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 116.549 -1.691 . . . . 79.01 111.658 -174.272 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 486' ' ' ASN . . . . . 0.942 ' OD1' ' HD2' ' A' ' 466' ' ' ARG . 0.4 OUTLIER -170.99 159.53 6.14 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 126.337 2.273 . . . . 63.99 108.608 177.791 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 487' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' A' ' 465' ' ' PHE . 12.0 t -140.63 136.24 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 118.11 -0.947 . . . . 31.05 109.531 -177.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.34 113.53 9.05 Favored Pre-proline 0 C--O 1.239 0.519 0 O-C-N 124.407 1.067 . . . . 49.99 109.977 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 489' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -60.77 -23.77 77.24 Favored 'Trans proline' 0 C--O 1.234 0.292 0 CA-C-N 119.568 0.881 . . . . 26.41 113.179 -177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -97.65 3.19 50.4 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.288 0.949 . . . . 32.13 113.234 174.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . -90.49 173.04 38.35 Favored Glycine 0 CA--C 1.541 1.704 0 CA-C-O 123.569 1.649 . . . . 29.18 114.901 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 492' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -67.25 -33.08 74.58 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 113.435 0.902 . . . . 48.61 113.435 -173.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.49 70.09 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.834 -0.746 . . . . 27.44 110.774 178.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.52 66.63 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.439 -0.504 . . . . 25.07 110.465 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -32.06 73.41 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.851 -0.34 . . . . 78.04 111.439 179.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -87.93 -3.8 58.89 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 119.348 -0.941 . . . . 29.92 112.526 176.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . 94.5 16.3 43.48 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 115.112 0.805 . . . . 32.5 115.112 172.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 498' ' ' LEU . . . . . . . . . . . . . 20.3 tp -64.05 141.16 58.87 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.122 -1.066 . . . . 26.44 108.122 167.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 499' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -133.69 154.64 50.78 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 119.003 -1.079 . . . . 45.11 110.103 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -55.4 139.02 44.6 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.125 -0.943 . . . . 42.99 109.335 177.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 92.4 -24.56 22.15 Favored Glycine 0 N--CA 1.431 -1.693 0 CA-C-O 119.314 -0.714 . . . . 43.64 114.113 -177.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -49.34 129.19 18.26 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 118.226 1.013 . . . . 34.79 109.568 171.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 503' ' ' ARG . . . . . 0.478 ' NH2' ' OE2' ' A' ' 449' ' ' GLU . 58.6 ttp85 -105.12 133.23 50.25 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.432 -0.581 . . . . 47.38 109.432 -179.007 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 504' ' ' LEU . . . . . . . . . . . . . 9.9 tp -77.13 123.7 26.78 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 123.052 0.541 . . . . 44.1 110.353 -172.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 5.5 mp -111.92 -47.63 3.12 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.686 0.624 . . . . 38.68 112.686 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -133.02 142.47 48.82 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.449 -0.782 . . . . 34.94 109.141 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 507' ' ' LEU . . . . . 0.509 ' HB3' HG11 ' A' ' 512' ' ' VAL . 44.6 tp -122.65 116.68 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 106.148 -1.797 . . . . 29.59 106.148 176.145 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 49.61 50.91 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 122.433 1.111 . . . . 24.08 111.013 -177.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 63.15 16.11 57.33 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 119.88 -1.153 . . . . 37.83 115.169 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 510' ' ' VAL . . . . . . . . . . . . . 84.0 t -109.62 133.97 53.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 118.649 1.225 . . . . 30.62 107.911 172.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 511' ' ' ASP . . . . . 0.405 ' OD1' ' OG ' ' A' ' 513' ' ' SER . 65.2 t0 -63.19 122.08 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.227 -0.589 . . . . 56.64 110.158 171.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 512' ' ' VAL . . . . . 0.509 HG11 ' HB3' ' A' ' 507' ' ' LEU . 29.9 m -128.84 22.65 2.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 110.109 -0.33 . . . . 38.06 110.109 -177.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 513' ' ' SER . . . . . 0.405 ' OG ' ' OD1' ' A' ' 511' ' ' ASP . 5.2 p -75.08 -16.7 60.56 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 113.018 0.747 . . . . 49.53 113.018 -175.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -117.98 28.46 8.38 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.303 1.041 . . . . 52.59 112.255 -173.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 515' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -103.62 171.4 7.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.017 0.913 . . . . 49.87 110.44 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 89.8 p -77.29 153.23 34.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.679 -1.146 . . . . 45.43 110.145 171.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -55.49 -32.47 62.87 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.858 -0.737 . . . . 54.07 112.268 178.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 518' ' ' ARG . . . . . 0.517 HH22 ' NZ ' ' A' ' 525' ' ' LYS . 5.0 tpt180 -86.46 -32.8 20.63 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 117.684 -1.606 . . . . 64.35 111.443 -171.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -63.35 -42.06 98.9 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 118.854 -1.138 . . . . 52.6 110.301 175.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 520' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.04 -50.96 77.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 121.095 0.474 . . . . 39.61 110.522 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.13 -47.0 93.73 Favored 'Isoleucine or valine' 0 C--O 1.244 0.783 0 CA-C-O 121.198 0.523 . . . . 35.17 110.821 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -58.67 -44.08 90.09 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.028 -0.669 . . . . 50.72 111.163 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.3 -34.44 76.16 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 120.2 -0.6 . . . . 31.1 111.091 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.92 -44.67 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 118.445 -1.302 . . . . 24.74 110.197 173.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 525' ' ' LYS . . . . . 0.517 ' NZ ' HH22 ' A' ' 518' ' ' ARG . 20.0 mttt -68.89 -25.54 64.66 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 119.388 -0.925 . . . . 52.0 112.392 179.895 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 526' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -91.61 0.14 57.53 Favored 'General case' 0 C--O 1.252 1.201 0 C-N-CA 123.541 0.736 . . . . 27.99 112.624 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 22.3 t -72.88 -13.84 61.36 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 119.204 -0.427 . . . . 25.31 111.865 -175.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 89.69 -143.71 17.34 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-O 122.041 0.8 . . . . 29.49 112.382 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -81.01 -22.69 39.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 118.153 -1.419 . . . . 54.87 112.432 -172.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 11.2 t -124.48 147.37 29.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 123.484 0.713 . . . . 38.74 109.109 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 6.0 p -136.24 151.74 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 106.612 -1.625 . . . . 25.59 106.612 174.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 532' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 619' ' ' HOH . . . -126.07 135.43 51.73 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.098 -0.704 . . . . 22.92 109.098 172.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 533' ' ' PHE . . . . . 0.468 ' HE1' HD13 ' A' ' 507' ' ' LEU . 20.3 m-85 -122.02 140.87 51.96 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 125.041 1.336 . . . . 23.87 108.096 179.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -109.91 131.65 54.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.635 -1.246 . . . . 26.0 107.635 154.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 535' ' ' ILE . . . . . . . . . . . . . 2.3 pp -133.58 164.8 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.715 0.769 . . . . 24.01 110.383 -173.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -115.23 133.4 56.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 114.534 -1.212 . . . . 31.86 108.826 175.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -131.45 130.91 43.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.423 0.689 . . . . 34.56 109.595 -168.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 538' ' ' ARG . . . . . 0.959 ' NH1' ' O ' ' A' ' 538' ' ' ARG . 0.0 OUTLIER -55.39 134.96 50.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.637 -0.71 . . . . 70.69 109.831 177.325 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.74 -48.47 4.28 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 117.444 -1.702 . . . . 46.72 112.681 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 540' ' ' SER . . . . . 0.437 ' HB3' ' HD2' ' A' ' 541' ' ' PRO . 43.1 t -56.07 -67.2 0.82 Allowed Pre-proline 0 C--O 1.242 0.661 0 N-CA-C 106.998 -1.482 . . . . 69.51 106.998 177.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 541' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 540' ' ' SER . 10.5 Cg_exo . . . . . 0 C--N 1.359 1.123 1 C-N-CA 110.931 -5.579 . . . . 72.42 113.002 168.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo . . . . . 0 C--O 1.235 0.346 0 CA-C-O 119.352 -0.353 . . . . 97.59 111.299 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLU . . . . . 0.641 ' O ' ' OG ' ' B' ' 6' ' ' SER . 10.5 tp10 -75.18 -37.67 61.16 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 117.993 -1.483 . . . . 86.2 110.194 168.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . 0.641 ' OG ' ' O ' ' B' ' 5' ' ' GLU . 74.3 m 175.37 111.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 124.057 0.943 . . . . 72.76 109.263 172.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' B' ' 8' ' ' SER . 7.3 tt0 -121.12 150.62 40.97 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 118.168 0.44 . . . . 69.41 109.85 -172.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' B' ' 7' ' ' GLU . 72.8 m -163.64 138.11 6.0 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 123.214 0.606 . . . . 50.68 109.404 -175.988 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . 0.47 ' HB2' ' NH2' ' A' ' 466' ' ' ARG . 11.9 tptm -90.41 137.0 32.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.222 -0.659 . . . . 49.19 109.222 176.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' VAL . . . . . 0.416 ' OXT' ' HE2' ' B' ' 9' ' ' LYS . 15.5 m . . . . . 0 CA--C 1.564 1.485 0 N-CA-C 114.197 1.184 . . . . 34.88 114.197 -177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . 0.683 ' O ' ' N ' ' A' ' 482' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 619' ' ' HOH . . . . . 0.4 ' O ' ' HB1' ' A' ' 532' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 622' ' ' HOH . . . . . 0.436 ' O ' ' HD3' ' A' ' 458' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 112.007 0.373 . . . . 67.74 112.007 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 448' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -91.01 139.2 2.51 Favored 'Trans proline' 0 C--O 1.235 0.355 0 CA-C-O 122.684 1.035 . . . . 50.54 111.866 171.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 449' ' ' GLU . . . . . 0.478 ' OE2' ' NH2' ' A' ' 503' ' ' ARG . 8.7 pt-20 -126.74 156.34 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 118.693 -1.203 . . . . 58.13 110.406 178.739 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -118.85 150.77 17.92 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 109.096 -1.602 . . . . 30.03 109.096 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -94.68 148.75 21.95 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.515 0.674 . . . . 29.55 110.677 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 47.0 mmm -146.66 149.5 33.61 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 107.619 -1.252 . . . . 33.67 107.619 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 453' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -97.6 143.56 28.15 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.248 -1.019 . . . . 23.78 108.248 175.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 11.1 mp -137.52 146.71 44.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.569 -0.9 . . . . 25.26 108.569 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 455' ' ' ILE . . . . . . . . . . . . . 66.8 mt -128.46 129.18 68.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 107.851 -1.166 . . . . 38.41 107.851 173.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 4.6 mt -131.11 125.1 57.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 N-CA-C 108.561 -0.903 . . . . 28.7 108.561 -170.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 457' ' ' MET . . . . . . . . . . . . . 23.6 mmt -81.69 141.95 33.14 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.471 -1.307 . . . . 79.02 107.471 173.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 622' ' ' HOH . 33.3 ttm-85 -73.98 136.29 43.2 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.594 -0.842 . . . . 35.81 109.664 179.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -85.88 -163.21 37.51 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.665 -0.974 . . . . 42.15 110.665 173.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -92.15 -13.05 31.26 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 118.366 -1.334 . . . . 72.38 112.59 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -110.42 11.06 23.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.595 0.18 . . . . 50.01 111.208 167.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 462' ' ' GLY . . . . . . . . . . . . . . . 118.13 -154.87 16.37 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.498 -0.858 . . . . 34.47 113.784 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -83.69 -30.39 26.83 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.588 0.228 . . . . 33.71 111.268 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . 98.56 41.11 3.24 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 115.973 1.149 . . . . 32.8 115.973 171.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.503 ' HB3' HG22 ' A' ' 487' ' ' VAL . 44.2 p90 -155.83 163.0 40.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.334 -0.946 . . . . 34.37 109.133 177.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 466' ' ' ARG . . . . . 1.105 ' HD2' HD21 ' A' ' 486' ' ' ASN . 4.1 mtt-85 -110.35 118.66 36.9 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.413 -0.958 . . . . 74.09 108.413 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.95 152.06 21.4 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.788 -1.19 . . . . 44.39 107.788 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 468' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' B' ' 6' ' ' SER . 30.6 t -154.29 136.27 14.63 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 118.539 -1.265 . . . . 53.14 108.458 -170.466 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 469' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' B' ' 5' ' ' GLU . . . 161.75 -153.72 24.52 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 116.333 -2.842 . . . . 62.73 111.527 173.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.19 119.33 5.77 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 125.426 1.309 . . . . 71.36 112.031 -170.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 4.0 m -66.68 -34.9 78.88 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.074 -0.65 . . . . 81.63 110.845 175.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 . . . . . 0 C--N 1.332 -0.188 0 O-C-N 122.024 -0.423 . . . . 88.41 110.028 173.658 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 N-CA-C 110.308 -0.256 . . . . 69.44 110.308 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -150.28 -60.97 0.2 Allowed 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.4 -0.593 . . . . 63.68 109.4 165.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.57 177.66 19.78 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-O 122.334 0.963 . . . . 63.14 113.67 161.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 482' ' ' GLN . . . . . 0.683 ' N ' ' O ' ' A' ' 601' ' ' HOH . 66.7 mm-40 -70.59 167.85 17.65 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.411 -0.895 . . . . 48.73 109.676 -179.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 483' ' ' TRP . . . . . 0.424 ' CH2' ' CZ ' ' A' ' 485' ' ' ARG . 40.6 p-90 -155.8 160.7 40.47 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 118.808 -1.157 . . . . 68.49 111.552 -179.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 484' ' ' VAL . . . . . . . . . . . . . 21.7 t -86.53 116.0 28.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 114.241 -1.345 . . . . 44.11 108.285 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 485' ' ' ARG . . . . . 0.424 ' CZ ' ' CH2' ' A' ' 483' ' ' TRP . 0.4 OUTLIER -91.33 -27.34 18.44 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 116.549 -1.691 . . . . 79.01 111.658 -174.272 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 486' ' ' ASN . . . . . 1.105 HD21 ' HD2' ' A' ' 466' ' ' ARG . 3.0 p30 -170.99 159.53 6.14 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 126.337 2.273 . . . . 63.99 108.608 177.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' A' ' 465' ' ' PHE . 12.0 t -140.63 136.24 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 118.11 -0.947 . . . . 31.05 109.531 -177.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.34 113.53 9.05 Favored Pre-proline 0 C--O 1.239 0.519 0 O-C-N 124.407 1.067 . . . . 49.99 109.977 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 489' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -60.77 -23.77 77.24 Favored 'Trans proline' 0 C--O 1.234 0.292 0 CA-C-N 119.568 0.881 . . . . 26.41 113.179 -177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -97.65 3.19 50.4 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.288 0.949 . . . . 32.13 113.234 174.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . -90.49 173.04 38.35 Favored Glycine 0 CA--C 1.541 1.704 0 CA-C-O 123.569 1.649 . . . . 29.18 114.901 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 492' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -67.25 -33.08 74.58 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 113.435 0.902 . . . . 48.61 113.435 -173.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.49 70.09 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.834 -0.746 . . . . 27.44 110.774 178.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.52 66.63 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.439 -0.504 . . . . 25.07 110.465 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -32.06 73.41 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.851 -0.34 . . . . 78.04 111.439 179.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -87.93 -3.8 58.89 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 119.348 -0.941 . . . . 29.92 112.526 176.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 497' ' ' GLY . . . . . . . . . . . . . . . 94.5 16.3 43.48 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 115.112 0.805 . . . . 32.5 115.112 172.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 498' ' ' LEU . . . . . . . . . . . . . 20.3 tp -64.05 141.16 58.87 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.122 -1.066 . . . . 26.44 108.122 167.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 499' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -133.69 154.64 50.78 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 119.003 -1.079 . . . . 45.11 110.103 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -55.4 139.02 44.6 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.125 -0.943 . . . . 42.99 109.335 177.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 92.4 -24.56 22.15 Favored Glycine 0 N--CA 1.431 -1.693 0 CA-C-O 119.314 -0.714 . . . . 43.64 114.113 -177.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -49.34 129.19 18.26 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 118.226 1.013 . . . . 34.79 109.568 171.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' ARG . . . . . 0.478 ' NH2' ' OE2' ' A' ' 449' ' ' GLU . 58.6 ttp85 -105.12 133.23 50.25 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.432 -0.581 . . . . 47.38 109.432 -179.007 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' LEU . . . . . . . . . . . . . 9.9 tp -77.13 123.7 26.78 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 123.052 0.541 . . . . 44.1 110.353 -172.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 5.5 mp -111.92 -47.63 3.12 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.686 0.624 . . . . 38.68 112.686 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -133.02 142.47 48.82 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.449 -0.782 . . . . 34.94 109.141 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.509 ' HB3' HG11 ' A' ' 512' ' ' VAL . 44.6 tp -122.65 116.68 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 106.148 -1.797 . . . . 29.59 106.148 176.145 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 49.61 50.91 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 122.433 1.111 . . . . 24.08 111.013 -177.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 63.15 16.11 57.33 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 119.88 -1.153 . . . . 37.83 115.169 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' VAL . . . . . . . . . . . . . 84.0 t -109.62 133.97 53.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 118.649 1.225 . . . . 30.62 107.911 172.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' ASP . . . . . 0.405 ' OD1' ' OG ' ' A' ' 513' ' ' SER . 65.2 t0 -63.19 122.08 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.227 -0.589 . . . . 56.64 110.158 171.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' VAL . . . . . 0.509 HG11 ' HB3' ' A' ' 507' ' ' LEU . 29.9 m -128.84 22.65 2.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 110.109 -0.33 . . . . 38.06 110.109 -177.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' SER . . . . . 0.405 ' OG ' ' OD1' ' A' ' 511' ' ' ASP . 5.2 p -75.08 -16.7 60.56 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 113.018 0.747 . . . . 49.53 113.018 -175.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -117.98 28.46 8.38 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.303 1.041 . . . . 52.59 112.255 -173.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -103.62 171.4 7.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.017 0.913 . . . . 49.87 110.44 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 89.8 p -77.29 153.23 34.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.679 -1.146 . . . . 45.43 110.145 171.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -55.49 -32.47 62.87 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.858 -0.737 . . . . 54.07 112.268 178.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.517 HH22 ' NZ ' ' A' ' 525' ' ' LYS . 5.0 tpt180 -86.46 -32.8 20.63 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 117.684 -1.606 . . . . 64.35 111.443 -171.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -63.35 -42.06 98.9 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 118.854 -1.138 . . . . 52.6 110.301 175.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.04 -50.96 77.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 121.095 0.474 . . . . 39.61 110.522 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.13 -47.0 93.73 Favored 'Isoleucine or valine' 0 C--O 1.244 0.783 0 CA-C-O 121.198 0.523 . . . . 35.17 110.821 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -58.67 -44.08 90.09 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.028 -0.669 . . . . 50.72 111.163 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.3 -34.44 76.16 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 120.2 -0.6 . . . . 31.1 111.091 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.92 -44.67 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 118.445 -1.302 . . . . 24.74 110.197 173.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' LYS . . . . . 0.517 ' NZ ' HH22 ' A' ' 518' ' ' ARG . 20.0 mttt -68.89 -25.54 64.66 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 119.388 -0.925 . . . . 52.0 112.392 179.895 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -91.61 0.14 57.53 Favored 'General case' 0 C--O 1.252 1.201 0 C-N-CA 123.541 0.736 . . . . 27.99 112.624 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 22.3 t -72.88 -13.84 61.36 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 119.204 -0.427 . . . . 25.31 111.865 -175.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 89.69 -143.71 17.34 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-O 122.041 0.8 . . . . 29.49 112.382 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -81.01 -22.69 39.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 118.153 -1.419 . . . . 54.87 112.432 -172.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 11.2 t -124.48 147.37 29.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 123.484 0.713 . . . . 38.74 109.109 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 6.0 p -136.24 151.74 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 106.612 -1.625 . . . . 25.59 106.612 174.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 619' ' ' HOH . . . -126.07 135.43 51.73 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.098 -0.704 . . . . 22.92 109.098 172.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' PHE . . . . . 0.468 ' HE1' HD13 ' A' ' 507' ' ' LEU . 20.3 m-85 -122.02 140.87 51.96 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 125.041 1.336 . . . . 23.87 108.096 179.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -109.91 131.65 54.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.635 -1.246 . . . . 26.0 107.635 154.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' ILE . . . . . . . . . . . . . 2.3 pp -133.58 164.8 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.715 0.769 . . . . 24.01 110.383 -173.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -115.23 133.4 56.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 114.534 -1.212 . . . . 31.86 108.826 175.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -131.45 130.91 43.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.423 0.689 . . . . 34.56 109.595 -168.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' ARG . . . . . 0.959 ' NH1' ' O ' ' A' ' 538' ' ' ARG . 0.0 OUTLIER -55.39 134.96 50.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.637 -0.71 . . . . 70.69 109.831 177.325 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.74 -48.47 4.28 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 117.444 -1.702 . . . . 46.72 112.681 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' SER . . . . . 0.437 ' HB3' ' HD2' ' A' ' 541' ' ' PRO . 43.1 t -56.07 -67.2 0.82 Allowed Pre-proline 0 C--O 1.242 0.661 0 N-CA-C 106.998 -1.482 . . . . 69.51 106.998 177.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 540' ' ' SER . 10.5 Cg_exo . . . . . 0 C--N 1.359 1.123 1 C-N-CA 110.931 -5.579 . . . . 72.42 113.002 168.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo . . . . . 0 C--O 1.235 0.346 0 CA-C-O 119.352 -0.353 . . . . 97.59 111.299 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.641 ' O ' ' OG ' ' B' ' 6' ' ' SER . 10.5 tp10 -75.18 -37.67 61.16 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 117.993 -1.483 . . . . 86.2 110.194 168.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . 0.641 ' OG ' ' O ' ' B' ' 5' ' ' GLU . 74.3 m 175.37 111.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 124.057 0.943 . . . . 72.76 109.263 172.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' B' ' 8' ' ' SER . 7.3 tt0 -121.12 150.62 40.97 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 118.168 0.44 . . . . 69.41 109.85 -172.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' B' ' 7' ' ' GLU . 72.8 m -163.64 138.11 6.0 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 123.214 0.606 . . . . 50.68 109.404 -175.988 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.47 ' HB2' ' NH2' ' A' ' 466' ' ' ARG . 11.9 tptm -90.41 137.0 32.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.222 -0.659 . . . . 49.19 109.222 176.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.416 ' OXT' ' HE2' ' B' ' 9' ' ' LYS . 15.5 m . . . . . 0 CA--C 1.564 1.485 0 N-CA-C 114.197 1.184 . . . . 34.88 114.197 -177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . 0.683 ' O ' ' N ' ' A' ' 482' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' HOH . . . . . 0.4 ' O ' ' HB1' ' A' ' 532' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 622' ' ' HOH . . . . . 0.436 ' O ' ' HD3' ' A' ' 458' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_