data_3a0s_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3a0s _Structure_validation_residue.Date_analyzed 2016-10-12 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 ' 423' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.106 0 CA-C-O 122.137 0.97 . . . . 39.03 111.135 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -149.87 156.82 42.44 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.054 -0.976 . . . . 27.91 111.563 175.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 3.2 m 67.59 44.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.652 -1.158 . . . . 20.01 111.975 171.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' ALA . . . . . . . . . . . . . . . -76.46 125.33 29.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 105.629 -1.989 . . . . 19.45 105.629 161.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' ILE . . . . . . . . . . . . . 95.9 mt -121.4 128.51 75.91 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 N-CA-C 108.33 -0.989 . . . . 20.87 108.33 -174.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 76.1 mt -124.97 121.81 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 105.503 -2.036 . . . . 21.92 105.503 169.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 90.3 m -109.91 136.63 48.9 Favored 'General case' 0 C--O 1.262 1.74 0 N-CA-C 108.389 -0.967 . . . . 22.29 108.389 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 48.9 mt -116.11 144.28 44.36 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.795 1.309 . . . . 21.75 109.065 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 57.4 p -76.12 175.79 8.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.945 -0.761 . . . . 21.93 108.945 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 432' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -68.7 -11.02 59.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.751 -0.659 . . . . 31.81 112.352 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -99.02 7.26 46.15 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 114.901 1.445 . . . . 25.25 114.901 171.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 87.16 8.91 74.36 Favored Glycine 0 C--O 1.246 0.849 0 CA-C-O 119.084 -0.842 . . . . 20.36 114.784 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -87.11 142.75 27.69 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 118.217 1.008 . . . . 28.02 112.371 -177.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 66.2 mt -75.67 118.75 22.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 CA-C-N 114.437 -1.256 . . . . 20.49 108.487 -178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 82.3 p -111.06 -17.0 13.36 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.433 -0.803 . . . . 21.9 112.376 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -140.76 143.61 35.02 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.485 -0.561 . . . . 31.26 109.485 173.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 439' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -157.86 100.34 1.74 Allowed 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.138 -2.171 . . . . 20.85 105.138 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 440' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -85.38 177.59 7.75 Favored 'General case' 0 C--O 1.263 1.769 0 C-N-CA 118.821 -1.152 . . . . 19.64 111.167 -166.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -63.44 -30.92 71.97 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.357 -0.838 . . . . 38.03 113.197 -177.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.86 -39.03 90.36 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 118.348 0.522 . . . . 23.16 110.776 175.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 443' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.1 85.84 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 119.64 -0.824 . . . . 19.67 111.851 175.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.4 -46.14 89.53 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.075 -0.511 . . . . 28.6 111.107 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 445' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.54 -37.76 80.24 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 112.594 0.59 . . . . 39.6 112.594 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 41.1 tp -75.62 -42.7 50.99 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-O 121.493 0.664 . . . . 24.91 109.755 -175.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -104.86 -13.25 15.9 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.349 1.611 . . . . 27.74 115.349 -170.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 75.11 20.8 79.03 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 115.375 0.91 . . . . 24.63 115.375 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 78.2 mt -117.37 133.43 55.98 Favored 'General case' 0 C--O 1.254 1.332 0 N-CA-C 108.218 -1.03 . . . . 26.83 108.218 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -77.04 146.5 37.3 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 123.513 0.508 . . . . 40.58 110.939 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -50.01 -44.32 51.07 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.566 0.95 . . . . 35.45 113.566 177.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -67.49 -20.24 65.44 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.045 -0.662 . . . . 35.15 111.53 -175.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 453' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -83.94 -13.32 53.73 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 115.054 1.502 . . . . 33.54 115.054 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.55 -19.17 4.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 113.808 1.04 . . . . 21.71 113.808 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.59 135.04 56.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.099 -1.041 . . . . 20.9 111.312 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 89.24 -13.96 62.16 Favored Glycine 0 N--CA 1.44 -1.094 0 N-CA-C 114.614 0.605 . . . . 20.82 114.614 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -90.95 155.72 18.51 Favored 'General case' 0 C--O 1.252 1.227 0 CA-C-N 117.706 0.753 . . . . 18.51 111.091 -175.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 458' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 22' ' ' HOH 0.281 0.0 OUTLIER -72.16 127.48 32.69 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 117.715 -1.594 . . . . 30.73 111.12 173.644 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 43.6 tp -54.87 -39.79 69.03 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 120.715 -0.394 . . . . 20.41 111.769 179.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -67.29 -14.53 63.0 Favored 'General case' 0 C--O 1.247 0.956 0 O-C-N 124.3 1.0 . . . . 39.72 111.387 -174.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -80.02 -10.41 59.77 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.147 0.425 . . . . 23.56 112.147 176.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 47.4 mt -89.9 121.09 69.25 Favored Pre-proline 0 C--O 1.247 0.956 0 N-CA-C 108.375 -0.972 . . . . 26.28 108.375 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 463' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 464' ' ' ASP . 88.6 Cg_exo -52.63 126.63 21.58 Favored 'Trans proline' 0 C--N 1.362 1.237 0 C-N-CA 122.517 2.145 . . . . 28.15 108.103 175.13 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 464' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 463' ' ' PRO . 97.6 m-20 102.82 -19.22 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.137 -1.392 . . . . 36.18 110.417 174.756 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -106.73 5.18 28.49 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.199 0.814 . . . . 29.03 113.199 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 466' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -58.82 -45.12 90.71 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.151 0.282 . . . . 38.8 111.224 -177.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.57 -47.78 68.81 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 113.407 0.892 . . . . 30.97 113.407 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 468' ' ' ILE . . . . . . . . . . . . . 41.2 mt -56.29 -39.96 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 120.416 -0.514 . . . . 28.94 110.491 174.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -62.97 -41.51 99.88 Favored Glycine 0 N--CA 1.468 0.825 0 N-CA-C 110.26 -1.136 . . . . 23.8 110.26 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 470' ' ' SER . . . . . . . . . . . . . 11.4 t -65.34 -42.26 93.06 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.138 0.792 . . . . 25.54 113.138 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 471' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.97 -40.34 86.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 120.967 0.413 . . . . 23.98 110.263 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.63 89.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 120.177 -0.609 . . . . 23.9 110.12 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 473' ' ' GLU . . . . . 0.838 ' OE2' ' C2 ' ' A' ' 600' ' ' PG4 . 86.1 mt-10 -60.6 -46.35 90.58 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 121.206 0.527 . . . . 39.79 110.442 177.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 26.8 t -62.12 -42.91 99.7 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 113.298 0.851 . . . . 30.67 113.298 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 475' ' ' VAL . . . . . . . . . . . . . 30.2 t -59.8 -45.08 95.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.364 0.602 . . . . 25.81 111.666 175.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.39 -51.76 68.14 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 122.087 -0.383 . . . . 25.7 110.985 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.84 -34.8 71.97 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.772 1.027 . . . . 44.21 113.772 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 478' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -88.96 -4.68 58.37 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.729 1.381 . . . . 36.16 114.729 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 39.8 mttt 54.38 26.85 7.41 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.754 1.02 . . . . 31.45 113.754 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -131.08 136.51 28.95 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-O 119.403 -0.332 . . . . 37.24 110.699 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 481' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.7 156.58 65.03 Favored 'Trans proline' 0 C--O 1.244 0.791 0 O-C-N 123.098 1.051 . . . . 30.92 113.464 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 482' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.49 134.03 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.631 -1.248 . . . . 33.03 107.631 -179.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 483' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -113.58 125.3 54.03 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.539 -0.912 . . . . 32.5 108.539 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 36.7 mt -113.2 136.28 52.91 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.365 -0.976 . . . . 33.02 108.365 173.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -113.79 167.47 10.61 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.031 -1.068 . . . . 38.81 111.023 166.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 486' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 50.53 46.36 25.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.601 -0.727 . . . . 34.46 111.226 -177.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 487' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -88.03 115.1 25.27 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 107.438 -1.319 . . . . 32.01 107.438 167.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -84.01 130.23 34.89 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.292 -0.963 . . . . 42.66 111.349 -175.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 489' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -141.37 119.73 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.337 -1.727 . . . . 42.65 106.337 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 64.89 -126.78 32.46 Favored Glycine 0 C--N 1.329 0.14 0 N-CA-C 109.947 -1.261 . . . . 38.44 109.947 -173.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -93.9 -0.6 55.6 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.53 1.307 . . . . 45.97 114.53 -176.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -131.51 164.32 26.05 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.316 1.228 . . . . 39.89 114.316 -172.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -100.91 140.2 35.53 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.351 -0.841 . . . . 28.47 109.422 170.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -127.82 151.29 49.22 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.555 -1.657 . . . . 25.43 113.103 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -82.21 136.11 35.15 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 107.308 -1.367 . . . . 27.3 107.308 161.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 27.5 mt -130.37 125.88 60.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 O-C-N 121.456 -0.777 . . . . 25.58 109.337 172.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 497' ' ' ARG . . . . . 0.546 ' NH1' ' O ' ' A' ' 30' ' ' HOH . 44.3 ttp180 -111.29 139.76 46.42 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 107.675 -1.231 . . . . 32.79 107.675 175.775 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -119.39 120.72 37.71 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 108.08 -1.082 . . . . 21.86 108.08 175.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 499' ' ' SER . . . . . . . . . . . . . 20.0 m -126.02 110.45 24.51 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.961 -0.563 . . . . 28.14 111.689 -175.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.33 147.66 78.43 Favored 'Trans proline' 0 C--N 1.349 0.601 0 N-CA-C 108.709 -1.304 . . . . 25.16 108.709 174.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -139.18 157.28 46.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 118.814 -1.154 . . . . 26.54 110.601 175.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -109.95 153.98 23.77 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 125.119 1.512 . . . . 24.2 110.784 175.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -75.7 133.49 40.77 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.98 -0.748 . . . . 31.41 108.98 167.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.75 68.2 Favored 'General case' 0 C--O 1.222 -0.381 0 O-C-N 121.554 -0.716 . . . . 30.96 112.768 -174.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -79.99 -39.88 29.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.082 0.771 . . . . 44.02 113.082 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 49.9 p -100.61 -16.57 17.4 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.108 -0.637 . . . . 24.94 112.026 -176.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 66.36 9.02 6.1 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.465 1.283 . . . . 34.4 114.465 -175.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.2 142.9 34.25 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 120.694 -0.402 . . . . 21.58 111.115 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.5 118.7 7.35 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 108.446 -0.946 . . . . 27.13 108.446 167.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -113.78 -5.07 13.3 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.084 1.513 . . . . 24.66 115.084 -169.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 154.0 -159.78 28.99 Favored Glycine 0 CA--C 1.502 -0.736 0 C-N-CA 118.671 -1.728 . . . . 22.37 111.145 175.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 73.5 t -140.4 129.85 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 107.898 -1.149 . . . . 21.47 107.898 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 28.6 mt -94.18 127.96 45.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 107.791 -1.188 . . . . 27.08 107.791 173.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 52.6 mt -111.96 124.11 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.394 -0.965 . . . . 20.54 108.394 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 28.5 m -121.85 125.57 46.76 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.433 -1.321 . . . . 21.57 107.433 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' ILE . . . . . . . . . . . . . 77.1 mt -118.22 125.66 74.43 Favored 'Isoleucine or valine' 0 C--O 1.246 0.884 0 O-C-N 124.865 1.353 . . . . 26.83 108.467 -174.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -133.03 146.47 51.75 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.383 -0.826 . . . . 21.45 110.7 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 122.802 1.287 . . . . 28.39 110.83 169.979 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 600' ' ' PG4 . . . . . 0.838 ' C2 ' ' OE2' ' A' ' 473' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . 0.422 ' O ' ' NH1' ' A' ' 458' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HOH . . . . . 0.546 ' O ' ' NH1' ' A' ' 497' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 423' ' ' MET . . . . . 0.466 ' HE2' ' CE1' ' A' ' 494' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.106 0 CA-C-O 122.137 0.97 . . . . 39.030000000000001 111.135 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -149.87 156.82 42.44 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.054 -0.976 . . . . 27.91 111.563 175.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 3.2 m 67.59 44.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.652 -1.158 . . . . 20.010000000000002 111.975 171.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 426' ' ' ALA . . . . . . . . . . . . . . . -76.46 125.33 29.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 105.629 -1.989 . . . . 19.449999999999999 105.629 161.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 427' ' ' ILE . . . . . . . . . . . . . 95.9 mt -121.4 128.51 75.91 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 N-CA-C 108.33 -0.989 . . . . 20.870000000000001 108.33 -174.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 76.1 mt -124.97 121.81 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 105.503 -2.036 . . . . 21.920000000000002 105.503 169.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 90.3 m -109.91 136.63 48.9 Favored 'General case' 0 C--O 1.262 1.74 0 N-CA-C 108.389 -0.967 . . . . 22.289999999999999 108.389 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 48.9 mt -116.11 144.28 44.36 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.795 1.309 . . . . 21.75 109.065 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 57.4 p -76.12 175.79 8.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.945 -0.761 . . . . 21.93 108.945 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 432' ' ' LYS . . . . . 0.437 ' HE2' ' O ' ' A' ' 509' ' ' LEU . 3.0 ptpt -68.7 -11.02 59.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.751 -0.659 . . . . 31.809999999999999 112.352 177.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -99.02 7.26 46.15 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 114.901 1.445 . . . . 25.25 114.901 171.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 87.16 8.91 74.36 Favored Glycine 0 C--O 1.246 0.849 0 CA-C-O 119.084 -0.842 . . . . 20.359999999999999 114.784 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -87.11 142.75 27.69 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 118.217 1.008 . . . . 28.02 112.371 -177.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 66.2 mt -75.67 118.75 22.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 CA-C-N 114.437 -1.256 . . . . 20.489999999999998 108.487 -178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 82.3 p -111.06 -17.0 13.36 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.433 -0.803 . . . . 21.899999999999999 112.376 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -140.76 143.61 35.02 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.485 -0.561 . . . . 31.260000000000002 109.485 173.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 439' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -157.86 100.34 1.74 Allowed 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.138 -2.171 . . . . 20.850000000000001 105.138 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 440' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -85.38 177.59 7.75 Favored 'General case' 0 C--O 1.263 1.769 0 C-N-CA 118.821 -1.152 . . . . 19.640000000000001 111.167 -166.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -63.44 -30.92 71.97 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.357 -0.838 . . . . 38.030000000000001 113.197 -177.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.86 -39.03 90.36 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 118.348 0.522 . . . . 23.16 110.776 175.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 443' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.1 85.84 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 119.64 -0.824 . . . . 19.670000000000002 111.851 175.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.4 -46.14 89.53 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.075 -0.511 . . . . 28.600000000000001 111.107 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 445' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.54 -37.76 80.24 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 112.594 0.59 . . . . 39.600000000000001 112.594 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 41.1 tp -75.62 -42.7 50.99 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-O 121.493 0.664 . . . . 24.91 109.755 -175.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -104.86 -13.25 15.9 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.349 1.611 . . . . 27.739999999999998 115.349 -170.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 75.11 20.8 79.03 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 115.375 0.91 . . . . 24.629999999999999 115.375 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 78.2 mt -117.37 133.43 55.98 Favored 'General case' 0 C--O 1.254 1.332 0 N-CA-C 108.218 -1.03 . . . . 26.829999999999998 108.218 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -77.04 146.5 37.3 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 123.513 0.508 . . . . 40.579999999999998 110.939 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 451' ' ' LYS . . . . . 0.777 ' HE2' HD11 ' A' ' 455' ' ' LEU . 81.2 tttt -50.01 -44.32 51.07 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.566 0.95 . . . . 35.450000000000003 113.566 177.087 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -67.49 -20.24 65.44 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.045 -0.662 . . . . 35.149999999999999 111.53 -175.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 453' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -83.94 -13.32 53.73 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 115.054 1.502 . . . . 33.539999999999999 115.054 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.55 -19.17 4.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 113.808 1.04 . . . . 21.710000000000001 113.808 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 455' ' ' LEU . . . . . 0.777 HD11 ' HE2' ' A' ' 451' ' ' LYS . 17.5 tp -57.59 135.04 56.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.099 -1.041 . . . . 22.25 111.312 -175.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 89.24 -13.96 62.16 Favored Glycine 0 N--CA 1.44 -1.094 0 N-CA-C 114.614 0.605 . . . . 20.82 114.614 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -90.95 155.72 18.51 Favored 'General case' 0 C--O 1.252 1.227 0 CA-C-N 117.706 0.753 . . . . 18.510000000000002 111.091 -175.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 458' ' ' ARG . . . . . 0.625 HH11 ' HB2' ' A' ' 458' ' ' ARG 0.281 0.0 OUTLIER -72.16 127.48 32.69 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 117.715 -1.594 . . . . 33.969999999999999 111.12 173.644 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 43.6 tp -54.87 -39.79 69.03 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 120.715 -0.394 . . . . 20.41 111.769 179.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 460' ' ' LYS . . . . . 0.475 ' HE2' ' HD2' ' A' ' 458' ' ' ARG . 61.8 pttt -67.29 -14.53 63.0 Favored 'General case' 0 C--O 1.247 0.956 0 O-C-N 124.3 1.0 . . . . 39.719999999999999 111.387 -174.323 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -80.02 -10.41 59.77 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.147 0.425 . . . . 23.559999999999999 112.147 176.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 47.4 mt -89.9 121.09 69.25 Favored Pre-proline 0 C--O 1.247 0.956 0 N-CA-C 108.375 -0.972 . . . . 26.280000000000001 108.375 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 463' ' ' PRO . . . . . 0.63 ' O ' ' HB2' ' A' ' 464' ' ' ASP . 88.6 Cg_exo -52.63 126.63 21.58 Favored 'Trans proline' 0 C--N 1.362 1.237 0 C-N-CA 122.517 2.145 . . . . 28.149999999999999 108.103 175.13 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 464' ' ' ASP . . . . . 0.63 ' HB2' ' O ' ' A' ' 463' ' ' PRO . 97.6 m-20 102.82 -19.22 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.137 -1.392 . . . . 36.18 110.417 174.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -106.73 5.18 28.49 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.199 0.814 . . . . 29.030000000000001 113.199 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 466' ' ' GLU . . . . . 0.595 ' OE2' ' HA ' ' A' ' 463' ' ' PRO . 44.9 mp0 -58.82 -45.12 90.71 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.151 0.282 . . . . 38.799999999999997 111.224 -177.524 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.57 -47.78 68.81 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 113.407 0.892 . . . . 30.969999999999999 113.407 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 468' ' ' ILE . . . . . . . . . . . . . 41.2 mt -56.29 -39.96 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 120.416 -0.514 . . . . 28.940000000000001 110.491 174.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 469' ' ' GLY . . . . . 0.446 ' O ' ' H42' ' A' ' 600' ' ' PG4 . . . -62.97 -41.51 99.88 Favored Glycine 0 N--CA 1.468 0.825 0 N-CA-C 110.26 -1.136 . . . . 23.800000000000001 110.26 178.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 470' ' ' SER . . . . . . . . . . . . . 11.4 t -65.34 -42.26 93.06 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.138 0.792 . . . . 26.120000000000001 113.138 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 471' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.97 -40.34 86.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 120.967 0.413 . . . . 23.98 110.263 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.63 89.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 120.177 -0.609 . . . . 23.899999999999999 110.12 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 473' ' ' GLU . . . . . 0.907 ' CG ' ' H32' ' A' ' 600' ' ' PG4 . 86.1 mt-10 -60.6 -46.35 90.58 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 121.206 0.527 . . . . 39.789999999999999 110.442 177.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 26.8 t -62.12 -42.91 99.7 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 113.298 0.851 . . . . 30.670000000000002 113.298 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 475' ' ' VAL . . . . . . . . . . . . . 30.2 t -59.8 -45.08 95.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.364 0.602 . . . . 25.809999999999999 111.666 175.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.39 -51.76 68.14 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 122.087 -0.383 . . . . 25.699999999999999 110.985 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.84 -34.8 71.97 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.772 1.027 . . . . 44.210000000000001 113.772 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 478' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -88.96 -4.68 58.37 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.729 1.381 . . . . 36.159999999999997 114.729 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 39.8 mttt 54.38 26.85 7.41 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.754 1.02 . . . . 31.449999999999999 113.754 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -131.08 136.51 28.95 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-O 119.403 -0.332 . . . . 37.240000000000002 110.699 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 481' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.7 156.58 65.03 Favored 'Trans proline' 0 C--O 1.244 0.791 0 O-C-N 123.098 1.051 . . . . 30.920000000000002 113.464 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 482' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.49 134.03 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.631 -1.248 . . . . 33.030000000000001 107.631 -179.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 483' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -113.58 125.3 54.03 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.539 -0.912 . . . . 32.5 108.539 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 36.7 mt -113.2 136.28 52.91 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.365 -0.976 . . . . 33.020000000000003 108.365 173.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -113.79 167.47 10.61 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.031 -1.068 . . . . 38.810000000000002 111.023 166.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 486' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 50.53 46.36 25.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.601 -0.727 . . . . 34.460000000000001 111.226 -177.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 487' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -88.03 115.1 25.27 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 107.438 -1.319 . . . . 32.009999999999998 107.438 167.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -84.01 130.23 34.89 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.292 -0.963 . . . . 42.659999999999997 111.349 -175.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 489' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -141.37 119.73 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.337 -1.727 . . . . 42.649999999999999 106.337 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 64.89 -126.78 32.46 Favored Glycine 0 C--N 1.329 0.14 0 N-CA-C 109.947 -1.261 . . . . 38.439999999999998 109.947 -173.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -93.9 -0.6 55.6 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.53 1.307 . . . . 45.969999999999999 114.53 -176.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -131.51 164.32 26.05 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.316 1.228 . . . . 39.890000000000001 114.316 -172.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -100.91 140.2 35.53 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.351 -0.841 . . . . 28.469999999999999 109.422 170.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 494' ' ' PHE . . . . . 0.466 ' CE1' ' HE2' ' A' ' 423' ' ' MET . 97.8 m-85 -127.82 151.29 49.22 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.555 -1.657 . . . . 25.43 113.103 -178.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -82.21 136.11 35.15 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 107.308 -1.367 . . . . 27.300000000000001 107.308 161.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 27.5 mt -130.37 125.88 60.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 O-C-N 121.456 -0.777 . . . . 25.579999999999998 109.337 172.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 497' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -111.29 139.76 46.42 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 107.675 -1.231 . . . . 33.990000000000002 107.675 175.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -119.39 120.72 37.71 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 108.08 -1.082 . . . . 21.859999999999999 108.08 175.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 499' ' ' SER . . . . . . . . . . . . . 20.0 m -126.02 110.45 24.51 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.961 -0.563 . . . . 28.140000000000001 111.689 -175.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.33 147.66 78.43 Favored 'Trans proline' 0 C--N 1.349 0.601 0 N-CA-C 108.709 -1.304 . . . . 25.16 108.709 174.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -139.18 157.28 46.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 118.814 -1.154 . . . . 26.539999999999999 110.601 175.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 502' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -109.95 153.98 23.77 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 125.119 1.512 . . . . 24.199999999999999 110.784 175.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -75.7 133.49 40.77 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.98 -0.748 . . . . 31.41 108.98 167.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.75 68.2 Favored 'General case' 0 C--O 1.222 -0.381 0 O-C-N 121.554 -0.716 . . . . 30.960000000000001 112.768 -174.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -79.99 -39.88 29.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.082 0.771 . . . . 44.020000000000003 113.082 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 49.9 p -100.61 -16.57 17.4 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.108 -0.637 . . . . 24.940000000000001 112.026 -176.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 507' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 66.36 9.02 6.1 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.465 1.283 . . . . 34.399999999999999 114.465 -175.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.2 142.9 34.25 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 120.694 -0.402 . . . . 21.579999999999998 111.115 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 509' ' ' LEU . . . . . 0.437 ' O ' ' HE2' ' A' ' 432' ' ' LYS . 12.3 mt -61.5 118.7 7.35 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 108.446 -0.946 . . . . 27.129999999999999 108.446 167.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -113.78 -5.07 13.3 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.084 1.513 . . . . 27.440000000000001 115.084 -169.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 154.0 -159.78 28.99 Favored Glycine 0 CA--C 1.502 -0.736 0 C-N-CA 118.671 -1.728 . . . . 22.370000000000001 111.145 175.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 73.5 t -140.4 129.85 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 107.898 -1.149 . . . . 21.469999999999999 107.898 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 28.6 mt -94.18 127.96 45.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 107.791 -1.188 . . . . 27.079999999999998 107.791 173.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 52.6 mt -111.96 124.11 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.394 -0.965 . . . . 20.539999999999999 108.394 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 28.5 m -121.85 125.57 46.76 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.433 -1.321 . . . . 21.57 107.433 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 516' ' ' ILE . . . . . . . . . . . . . 77.1 mt -118.22 125.66 74.43 Favored 'Isoleucine or valine' 0 C--O 1.246 0.884 0 O-C-N 124.865 1.353 . . . . 26.829999999999998 108.467 -174.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -133.03 146.47 51.75 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.383 -0.826 . . . . 21.449999999999999 110.7 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 122.802 1.287 . . . . 28.390000000000001 110.83 169.979 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 600' ' ' PG4 . . . . . 0.907 ' H32' ' CG ' ' A' ' 473' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 601' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 602' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 603' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . 0.544 ' O ' ' H41' ' A' ' 600' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . 0.422 ' O ' ' NH1' ' A' ' 458' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' MET . . . . . 0.466 ' HE2' ' CE1' ' A' ' 494' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.106 0 CA-C-O 122.137 0.97 . . . . 39.03 111.135 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -149.87 156.82 42.44 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.054 -0.976 . . . . 27.91 111.563 175.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 3.2 m 67.59 44.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.652 -1.158 . . . . 20.01 111.975 171.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' ALA . . . . . . . . . . . . . . . -76.46 125.33 29.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 105.629 -1.989 . . . . 19.45 105.629 161.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' ILE . . . . . . . . . . . . . 95.9 mt -121.4 128.51 75.91 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 N-CA-C 108.33 -0.989 . . . . 20.87 108.33 -174.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 76.1 mt -124.97 121.81 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 105.503 -2.036 . . . . 21.92 105.503 169.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 90.3 m -109.91 136.63 48.9 Favored 'General case' 0 C--O 1.262 1.74 0 N-CA-C 108.389 -0.967 . . . . 22.29 108.389 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 48.9 mt -116.11 144.28 44.36 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.795 1.309 . . . . 21.75 109.065 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 57.4 p -76.12 175.79 8.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.945 -0.761 . . . . 21.93 108.945 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.437 ' HE2' ' O ' ' A' ' 509' ' ' LEU . 3.0 ptpt -68.7 -11.02 59.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.751 -0.659 . . . . 31.81 112.352 177.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -99.02 7.26 46.15 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 114.901 1.445 . . . . 25.25 114.901 171.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 87.16 8.91 74.36 Favored Glycine 0 C--O 1.246 0.849 0 CA-C-O 119.084 -0.842 . . . . 20.36 114.784 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -87.11 142.75 27.69 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 118.217 1.008 . . . . 28.02 112.371 -177.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 66.2 mt -75.67 118.75 22.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 CA-C-N 114.437 -1.256 . . . . 20.49 108.487 -178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 82.3 p -111.06 -17.0 13.36 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.433 -0.803 . . . . 21.9 112.376 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -140.76 143.61 35.02 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.485 -0.561 . . . . 31.26 109.485 173.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 439' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -157.86 100.34 1.74 Allowed 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.138 -2.171 . . . . 20.85 105.138 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 440' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -85.38 177.59 7.75 Favored 'General case' 0 C--O 1.263 1.769 0 C-N-CA 118.821 -1.152 . . . . 19.64 111.167 -166.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -63.44 -30.92 71.97 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.357 -0.838 . . . . 38.03 113.197 -177.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.86 -39.03 90.36 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 118.348 0.522 . . . . 23.16 110.776 175.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 443' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.1 85.84 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 119.64 -0.824 . . . . 19.67 111.851 175.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.4 -46.14 89.53 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.075 -0.511 . . . . 28.6 111.107 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 445' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.54 -37.76 80.24 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 112.594 0.59 . . . . 39.6 112.594 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 41.1 tp -75.62 -42.7 50.99 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-O 121.493 0.664 . . . . 24.91 109.755 -175.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -104.86 -13.25 15.9 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.349 1.611 . . . . 27.74 115.349 -170.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 75.11 20.8 79.03 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 115.375 0.91 . . . . 24.63 115.375 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 78.2 mt -117.37 133.43 55.98 Favored 'General case' 0 C--O 1.254 1.332 0 N-CA-C 108.218 -1.03 . . . . 26.83 108.218 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -77.04 146.5 37.3 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 123.513 0.508 . . . . 40.58 110.939 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.777 ' HE2' HD11 ' A' ' 455' ' ' LEU . 81.2 tttt -50.01 -44.32 51.07 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.566 0.95 . . . . 35.45 113.566 177.087 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -67.49 -20.24 65.44 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.045 -0.662 . . . . 35.15 111.53 -175.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 453' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -83.94 -13.32 53.73 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 115.054 1.502 . . . . 33.54 115.054 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.55 -19.17 4.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 113.808 1.04 . . . . 21.71 113.808 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.777 HD11 ' HE2' ' A' ' 451' ' ' LYS . 17.5 tp -57.59 135.04 56.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.099 -1.041 . . . . 22.25 111.312 -175.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 89.24 -13.96 62.16 Favored Glycine 0 N--CA 1.44 -1.094 0 N-CA-C 114.614 0.605 . . . . 20.82 114.614 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 457' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -90.95 155.72 18.51 Favored 'General case' 0 C--O 1.252 1.227 0 CA-C-N 117.706 0.753 . . . . 18.51 111.091 -175.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.625 ' HB2' HH11 ' A' ' 458' ' ' ARG 0.281 0.0 OUTLIER -72.16 127.48 32.69 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 117.715 -1.594 . . . . 33.97 111.12 173.644 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 43.6 tp -54.87 -39.79 69.03 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 120.715 -0.394 . . . . 20.41 111.769 179.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.475 ' HE2' ' HD2' ' A' ' 458' ' ' ARG . 61.8 pttt -67.29 -14.53 63.0 Favored 'General case' 0 C--O 1.247 0.956 0 O-C-N 124.3 1.0 . . . . 39.72 111.387 -174.323 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -80.02 -10.41 59.77 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.147 0.425 . . . . 23.56 112.147 176.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 47.4 mt -89.9 121.09 69.25 Favored Pre-proline 0 C--O 1.247 0.956 0 N-CA-C 108.375 -0.972 . . . . 26.28 108.375 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 463' ' ' PRO . . . . . 0.63 ' O ' ' HB2' ' A' ' 464' ' ' ASP . 88.6 Cg_exo -52.63 126.63 21.58 Favored 'Trans proline' 0 C--N 1.362 1.237 0 C-N-CA 122.517 2.145 . . . . 28.15 108.103 175.13 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.63 ' HB2' ' O ' ' A' ' 463' ' ' PRO . 97.6 m-20 102.82 -19.22 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.137 -1.392 . . . . 36.18 110.417 174.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -106.73 5.18 28.49 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.199 0.814 . . . . 29.03 113.199 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 466' ' ' GLU . . . . . 0.595 ' OE2' ' HA ' ' A' ' 463' ' ' PRO . 44.9 mp0 -58.82 -45.12 90.71 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.151 0.282 . . . . 38.8 111.224 -177.524 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.57 -47.78 68.81 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 113.407 0.892 . . . . 30.97 113.407 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 468' ' ' ILE . . . . . . . . . . . . . 41.2 mt -56.29 -39.96 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 120.416 -0.514 . . . . 28.94 110.491 174.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 469' ' ' GLY . . . . . 0.446 ' O ' ' H42' ' A' ' 600' ' ' PG4 . . . -62.97 -41.51 99.88 Favored Glycine 0 N--CA 1.468 0.825 0 N-CA-C 110.26 -1.136 . . . . 23.8 110.26 178.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 470' ' ' SER . . . . . . . . . . . . . 11.4 t -65.34 -42.26 93.06 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.138 0.792 . . . . 26.12 113.138 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 471' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.97 -40.34 86.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 120.967 0.413 . . . . 23.98 110.263 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.63 89.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 120.177 -0.609 . . . . 23.9 110.12 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.907 ' CG ' ' H32' ' A' ' 600' ' ' PG4 . 86.1 mt-10 -60.6 -46.35 90.58 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 121.206 0.527 . . . . 39.79 110.442 177.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 26.8 t -62.12 -42.91 99.7 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 113.298 0.851 . . . . 30.67 113.298 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 475' ' ' VAL . . . . . . . . . . . . . 30.2 t -59.8 -45.08 95.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.364 0.602 . . . . 25.81 111.666 175.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.39 -51.76 68.14 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 122.087 -0.383 . . . . 25.7 110.985 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.84 -34.8 71.97 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.772 1.027 . . . . 44.21 113.772 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 478' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -88.96 -4.68 58.37 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.729 1.381 . . . . 36.16 114.729 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 39.8 mttt 54.38 26.85 7.41 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.754 1.02 . . . . 31.45 113.754 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -131.08 136.51 28.95 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-O 119.403 -0.332 . . . . 37.24 110.699 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 481' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.7 156.58 65.03 Favored 'Trans proline' 0 C--O 1.244 0.791 0 O-C-N 123.098 1.051 . . . . 30.92 113.464 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 482' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.49 134.03 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.631 -1.248 . . . . 33.03 107.631 -179.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 483' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -113.58 125.3 54.03 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.539 -0.912 . . . . 32.5 108.539 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 36.7 mt -113.2 136.28 52.91 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.365 -0.976 . . . . 33.02 108.365 173.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -113.79 167.47 10.61 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.031 -1.068 . . . . 38.81 111.023 166.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 486' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 50.53 46.36 25.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.601 -0.727 . . . . 34.46 111.226 -177.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 487' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -88.03 115.1 25.27 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 107.438 -1.319 . . . . 32.01 107.438 167.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -84.01 130.23 34.89 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.292 -0.963 . . . . 42.66 111.349 -175.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 489' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -141.37 119.73 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.337 -1.727 . . . . 42.65 106.337 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 64.89 -126.78 32.46 Favored Glycine 0 C--N 1.329 0.14 0 N-CA-C 109.947 -1.261 . . . . 38.44 109.947 -173.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -93.9 -0.6 55.6 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.53 1.307 . . . . 45.97 114.53 -176.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -131.51 164.32 26.05 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.316 1.228 . . . . 39.89 114.316 -172.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -100.91 140.2 35.53 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.351 -0.841 . . . . 28.47 109.422 170.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 494' ' ' PHE . . . . . 0.466 ' CE1' ' HE2' ' A' ' 423' ' ' MET . 97.8 m-85 -127.82 151.29 49.22 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.555 -1.657 . . . . 25.43 113.103 -178.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -82.21 136.11 35.15 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 107.308 -1.367 . . . . 27.3 107.308 161.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 27.5 mt -130.37 125.88 60.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 O-C-N 121.456 -0.777 . . . . 25.58 109.337 172.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 497' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -111.29 139.76 46.42 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 107.675 -1.231 . . . . 33.99 107.675 175.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -119.39 120.72 37.71 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 108.08 -1.082 . . . . 21.86 108.08 175.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 499' ' ' SER . . . . . . . . . . . . . 20.0 m -126.02 110.45 24.51 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.961 -0.563 . . . . 28.14 111.689 -175.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.33 147.66 78.43 Favored 'Trans proline' 0 C--N 1.349 0.601 0 N-CA-C 108.709 -1.304 . . . . 25.16 108.709 174.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -139.18 157.28 46.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 118.814 -1.154 . . . . 26.54 110.601 175.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -109.95 153.98 23.77 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 125.119 1.512 . . . . 24.2 110.784 175.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -75.7 133.49 40.77 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.98 -0.748 . . . . 31.41 108.98 167.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.75 68.2 Favored 'General case' 0 C--O 1.222 -0.381 0 O-C-N 121.554 -0.716 . . . . 30.96 112.768 -174.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -79.99 -39.88 29.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.082 0.771 . . . . 44.02 113.082 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 49.9 p -100.61 -16.57 17.4 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.108 -0.637 . . . . 24.94 112.026 -176.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 66.36 9.02 6.1 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.465 1.283 . . . . 34.4 114.465 -175.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.2 142.9 34.25 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 120.694 -0.402 . . . . 21.58 111.115 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.437 ' O ' ' HE2' ' A' ' 432' ' ' LYS . 12.3 mt -61.5 118.7 7.35 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 108.446 -0.946 . . . . 27.13 108.446 167.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -113.78 -5.07 13.3 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.084 1.513 . . . . 27.44 115.084 -169.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 154.0 -159.78 28.99 Favored Glycine 0 CA--C 1.502 -0.736 0 C-N-CA 118.671 -1.728 . . . . 22.37 111.145 175.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 73.5 t -140.4 129.85 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 107.898 -1.149 . . . . 21.47 107.898 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 28.6 mt -94.18 127.96 45.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 107.791 -1.188 . . . . 27.08 107.791 173.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 52.6 mt -111.96 124.11 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.394 -0.965 . . . . 20.54 108.394 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 28.5 m -121.85 125.57 46.76 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.433 -1.321 . . . . 21.57 107.433 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' ILE . . . . . . . . . . . . . 77.1 mt -118.22 125.66 74.43 Favored 'Isoleucine or valine' 0 C--O 1.246 0.884 0 O-C-N 124.865 1.353 . . . . 26.83 108.467 -174.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -133.03 146.47 51.75 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.383 -0.826 . . . . 21.45 110.7 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 122.802 1.287 . . . . 28.39 110.83 169.979 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 600' ' ' PG4 . . . . . 0.907 ' H32' ' CG ' ' A' ' 473' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . 0.544 ' O ' ' H41' ' A' ' 600' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . 0.422 ' O ' ' NH1' ' A' ' 458' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_