data_5jnp_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 5jnp _Structure_validation_residue.Date_analyzed 2016-12-23 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 ' 399' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.481 0 CA-C-O 121.076 0.465 . . . . 126.01 112.221 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' MSE . . . . . . . . . . . . . 22.1 ptp -69.21 -3.83 15.25 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.675 1.731 . . . . 170.3 115.675 -177.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.33 115.14 3.03 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 105.311 -2.107 . . . . 125.38 105.311 -173.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 68.6 p -144.69 170.21 16.52 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 104.097 -2.557 . . . . 97.35 104.097 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -60.48 -40.52 91.58 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 118.601 -1.24 . . . . 83.87 110.899 -177.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -70.97 -44.94 64.97 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.168 -1.013 . . . . 112.58 111.29 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.03 75.82 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.375 0.509 . . . . 81.49 112.375 176.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.1 -46.73 61.21 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.108 0.48 . . . . 85.35 111.142 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.01 82.93 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.063 -0.655 . . . . 80.53 110.874 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -72.45 -48.93 37.13 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 119.975 -0.69 . . . . 107.29 110.225 -177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 95.5 m -53.04 -37.9 61.96 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 121.062 -0.255 . . . . 79.92 111.549 173.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 9.6 t -73.11 -44.37 60.44 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.832 -0.747 . . . . 81.27 111.307 -178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.25 -37.24 79.81 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 119.514 -0.874 . . . . 87.97 110.741 176.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -71.38 -49.15 45.0 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 118.735 -1.186 . . . . 79.64 110.954 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -56.72 -30.74 63.81 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 118.803 -1.159 . . . . 80.72 111.037 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -70.97 -13.69 62.1 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 113.475 0.917 . . . . 111.97 113.475 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -95.18 -45.26 7.27 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.786 0.721 . . . . 85.75 111.818 170.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -64.79 -46.9 80.11 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.174 -0.466 . . . . 86.21 111.687 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.85 -53.97 60.17 Favored Pre-proline 0 C--O 1.242 0.694 0 CA-C-O 118.586 -0.721 . . . . 81.31 112.169 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -52.33 -47.27 27.79 Favored 'Trans proline' 0 C--O 1.24 0.596 0 CA-C-N 121.063 1.415 . . . . 82.47 111.689 172.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -52.64 -49.62 64.8 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 112.188 0.44 . . . . 80.03 112.188 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 52.0 t -57.6 -48.91 82.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 120.804 0.335 . . . . 84.01 110.756 178.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -61.42 -45.17 95.43 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.507 -0.746 . . . . 117.28 111.817 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.7 -41.76 99.3 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.267 -0.573 . . . . 93.29 111.425 -172.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -108.82 11.35 26.27 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 112.91 0.707 . . . . 87.26 112.91 -175.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 49.87 54.74 10.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.677 1.227 . . . . 110.06 110.127 174.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' ILE . . . . . . . . . . . . . 23.9 mm -70.48 137.12 24.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 114.311 -1.313 . . . . 84.95 110.401 -175.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -134.61 129.15 19.34 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 107.338 -1.356 . . . . 98.05 107.338 -178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -74.13 172.57 61.15 Favored 'Cis proline' 0 C--N 1.345 0.357 0 C-N-CA 124.598 -1.001 . . . . 94.36 112.015 -13.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -80.9 -15.84 55.21 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.569 0.952 . . . . 100.98 113.569 -175.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.71 126.7 82.14 Favored Pre-proline 0 C--O 1.237 0.398 0 CA-C-N 119.728 1.149 . . . . 88.56 109.946 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -69.44 -33.43 17.82 Favored 'Trans proline' 0 CA--C 1.512 -0.581 0 CA-C-N 118.962 0.665 . . . . 90.43 113.174 -168.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 431' ' ' GLU . . . . . 0.603 ' OE1' ' OH ' ' A' ' 460' ' ' TYR . 49.5 tp10 -62.95 -51.44 66.87 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 119.487 -0.885 . . . . 103.5 110.941 176.941 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 432' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -62.99 -37.43 87.12 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 120.628 -0.429 . . . . 94.87 111.504 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 433' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.26 -57.17 10.2 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.244 0.461 . . . . 96.24 112.244 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 434' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -67.51 -26.94 66.59 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 118.89 -1.124 . . . . 102.2 111.575 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 17.6 m -77.6 -30.39 52.42 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.94 0.719 . . . . 114.8 112.94 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.9 102.91 3.56 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 105.015 -2.217 . . . . 117.97 105.015 171.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -88.45 20.3 3.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.304 -0.862 . . . . 140.12 111.098 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.46 126.05 11.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 102.974 -2.973 . . . . 134.9 102.974 164.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -67.48 112.87 4.9 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 123.022 1.391 . . . . 204.95 108.839 -166.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -85.87 13.94 6.71 Favored 'General case' 0 C--O 1.242 0.703 1 C-N-CA 134.265 5.026 . . . . 107.55 115.386 -162.327 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 67.7 mt -93.61 -12.84 28.53 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 117.899 -1.52 . . . . 100.73 112.821 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.85 133.87 51.53 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 118.113 0.415 . . . . 133.63 110.124 -177.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 443' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 67.86 12.8 8.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 124.37 1.068 . . . . 116.23 113.032 171.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -101.19 130.74 47.34 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.475 1.034 . . . . 89.41 109.088 173.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 33.0 m -128.04 -12.24 3.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-O 121.133 0.492 . . . . 82.18 111.393 -167.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 446' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -77.64 138.7 62.64 Favored Pre-proline 0 C--N 1.316 -0.858 0 C-N-CA 115.554 -2.458 . . . . 96.12 109.871 -173.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -71.39 -16.37 31.04 Favored 'Trans proline' 0 C--O 1.24 0.597 0 N-CA-C 115.23 1.204 . . . . 85.04 115.23 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 4.5 m -91.29 2.69 56.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.826 1.194 . . . . 88.75 112.249 177.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -69.22 -46.56 67.08 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.121 -0.632 . . . . 80.19 112.296 -168.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 450' ' ' VAL . . . . . . . . . . . . . 42.0 t -64.5 -46.75 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 C-N-CA 118.936 -1.106 . . . . 76.63 109.916 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -61.88 -44.25 97.2 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 122.167 -0.333 . . . . 108.52 111.235 177.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -68.91 -37.32 78.89 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.463 -0.895 . . . . 85.92 111.307 -177.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 453' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -65.09 -33.4 75.94 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 118.345 -1.342 . . . . 77.92 111.303 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -73.26 -46.22 51.27 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.019 -1.073 . . . . 76.76 110.806 -177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -51.71 -48.65 63.47 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 111.702 0.26 . . . . 75.91 111.702 168.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 456' ' ' MSE . . . . . . . . . . . . . 4.3 tpp -64.08 -38.88 92.67 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 118.328 -0.844 . . . . 102.21 112.377 -175.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -59.67 -40.2 86.98 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 119.489 1.04 . . . . 102.44 110.727 176.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.44 -42.1 92.77 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.002 -0.679 . . . . 77.94 111.085 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 459' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -63.24 -40.7 98.18 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 119.872 -0.731 . . . . 97.86 111.788 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 460' ' ' TYR . . . . . 0.603 ' OH ' ' OE1' ' A' ' 431' ' ' GLU . 66.9 t80 -63.64 -47.19 82.32 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 119.307 -0.957 . . . . 95.81 111.144 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 461' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.78 -39.76 92.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.362 -0.535 . . . . 78.35 110.692 -175.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.72 -37.01 73.48 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.471 -0.492 . . . . 90.39 111.118 178.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -59.78 -47.85 84.05 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.986 0.422 . . . . 78.44 110.855 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -57.41 -33.87 68.33 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 111.88 0.326 . . . . 88.58 111.88 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 465' ' ' VAL . . . . . . . . . . . . . 42.6 t -73.02 -44.8 56.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 122.059 -0.401 . . . . 81.7 111.022 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 466' ' ' ARG . . . . . . . . . . . . . 54.7 mtm-85 -59.32 -36.4 75.57 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 120.177 -0.609 . . . . 95.93 110.963 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 14.1 mm -66.96 -45.48 87.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.349 -0.541 . . . . 90.91 110.186 176.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -53.39 -41.58 66.07 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.714 -0.794 . . . . 93.06 111.06 177.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -73.1 -14.51 78.89 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-O 118.944 -0.92 . . . . 98.95 114.734 178.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.32 -31.41 20.2 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 118.23 1.015 . . . . 98.82 112.283 170.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 471' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.55 -47.23 87.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.16 0.505 . . . . 114.07 110.55 173.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.12 -17.05 63.8 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.612 0.967 . . . . 118.9 113.612 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -93.51 28.42 2.29 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 118.563 0.619 . . . . 116.65 110.529 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -140.79 105.01 4.82 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 101.663 -3.458 . . . . 117.12 101.663 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.447 0.641 . . . . 132.16 109.387 178.225 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 399' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.656 0 N-CA-C 111.895 0.331 . . . . 123.51 111.895 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 400' ' ' MSE . . . . . . . . . . . . . 23.2 ptp -68.93 -4.09 15.26 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.443 2.016 . . . . 173.57 116.443 -177.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 4.5 pp -61.17 113.87 2.83 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 105.819 -1.919 . . . . 124.52 105.819 -173.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 402' ' ' THR . . . . . . . . . . . . . 77.5 p -140.78 171.22 14.4 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 104.075 -2.565 . . . . 93.13 104.075 171.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 403' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -59.86 -42.34 93.47 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 118.448 -1.301 . . . . 83.36 111.233 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 404' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -68.2 -46.04 71.71 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.53 -0.868 . . . . 109.18 111.362 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 405' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.77 73.64 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 112.319 0.488 . . . . 82.88 112.319 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.23 -46.78 63.78 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.332 -0.547 . . . . 84.87 111.128 -177.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.75 -33.79 75.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.018 -1.073 . . . . 78.37 110.836 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 408' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -71.06 -50.99 27.93 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 119.898 -0.721 . . . . 107.86 110.268 -179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 409' ' ' THR . . . . . . . . . . . . . 71.5 m -50.76 -44.06 58.48 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 120.956 -0.297 . . . . 80.35 111.73 172.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 9.8 t -63.66 -44.82 92.64 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.586 -1.245 . . . . 82.42 110.941 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -63.04 -35.27 79.69 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 119.703 -0.799 . . . . 90.6 111.096 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 412' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -73.42 -49.3 27.72 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 118.186 -1.406 . . . . 80.81 110.851 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -52.9 -33.32 49.75 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.747 -0.781 . . . . 75.17 111.382 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -70.56 -14.41 62.49 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.575 0.954 . . . . 113.82 113.575 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -94.41 -46.05 7.19 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 119.373 0.988 . . . . 88.45 111.125 171.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 416' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -64.13 -48.4 76.24 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.777 -0.647 . . . . 85.22 112.033 -177.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 417' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.01 -52.59 73.32 Favored Pre-proline 0 C--O 1.244 0.792 0 CA-C-O 118.683 -0.675 . . . . 78.14 111.809 -174.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -53.27 -48.01 24.32 Favored 'Trans proline' 0 C--O 1.238 0.507 0 CA-C-N 120.961 1.379 . . . . 82.58 112.674 171.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 419' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -52.32 -49.69 63.75 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 120.575 0.226 . . . . 77.5 111.249 -177.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 420' ' ' VAL . . . . . . . . . . . . . 53.8 t -54.96 -53.84 29.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.535 0.207 . . . . 84.86 110.81 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -58.71 -42.8 89.51 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.567 -0.853 . . . . 116.97 111.916 -177.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.07 -40.92 95.37 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 119.938 -0.705 . . . . 96.82 111.646 -173.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 423' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -110.25 12.66 23.23 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 112.983 0.734 . . . . 85.69 112.983 -175.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 49.47 54.51 10.87 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 123.134 1.445 . . . . 108.22 110.619 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 425' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.82 132.62 32.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 113.652 -1.613 . . . . 83.87 110.006 -174.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -133.53 129.64 20.61 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 108.283 -1.006 . . . . 102.52 108.283 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 427' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.26 178.0 35.7 Favored 'Cis proline' 0 N--CA 1.46 -0.442 0 C-N-CA 124.053 -1.228 . . . . 91.85 111.645 -11.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 428' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -89.09 -17.59 28.97 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.103 1.149 . . . . 108.66 114.103 -173.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.87 126.61 88.15 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 119.602 1.092 . . . . 88.99 109.213 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 430' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -68.36 -29.94 30.88 Favored 'Trans proline' 0 CA--C 1.509 -0.733 0 CA-C-N 118.865 0.63 . . . . 88.45 113.064 -170.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 431' ' ' GLU . . . . . 0.545 ' OE1' ' OH ' ' B' ' 460' ' ' TYR . 50.9 tp10 -64.21 -50.14 69.23 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 119.665 -0.814 . . . . 106.85 110.961 175.479 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 432' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -63.78 -39.57 94.58 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.185 -0.606 . . . . 97.72 111.196 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 433' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -62.33 -56.11 21.6 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 112.17 0.433 . . . . 94.3 112.17 -176.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 434' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -70.18 -26.42 63.9 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.515 -1.274 . . . . 103.84 111.401 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 19.1 m -78.08 -30.27 49.57 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.831 0.678 . . . . 112.79 112.831 -178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 436' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -72.66 102.63 3.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 104.88 -2.267 . . . . 115.73 104.88 172.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 437' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -87.96 20.64 3.02 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.33 -0.85 . . . . 128.15 110.541 176.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 438' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.51 126.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 N-CA-C 103.715 -2.698 . . . . 125.77 103.715 164.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -67.23 113.27 5.02 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 122.707 1.241 . . . . 140.53 109.167 -166.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 440' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -86.47 14.79 6.19 Favored 'General case' 0 C--O 1.242 0.701 1 C-N-CA 134.175 4.99 . . . . 103.55 115.268 -162.83 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 61.2 mt -94.13 -11.28 30.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 120.537 1.517 . . . . 98.92 112.629 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.57 131.5 50.98 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.322 -0.622 . . . . 129.66 109.322 -176.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 443' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 68.53 11.66 8.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.445 0.906 . . . . 115.17 113.445 172.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 444' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -97.84 131.46 44.31 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 119.682 1.128 . . . . 89.89 108.615 171.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 445' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.49 -13.0 3.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-N 116.214 -0.448 . . . . 81.37 110.579 -168.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 446' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -76.81 136.73 66.66 Favored Pre-proline 0 C--N 1.319 -0.723 0 C-N-CA 116.549 -2.06 . . . . 96.89 109.984 -173.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 447' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -71.93 -12.52 28.48 Favored 'Trans proline' 0 C--O 1.239 0.535 0 N-CA-C 115.156 1.176 . . . . 84.25 115.156 -175.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 448' ' ' SER . . . . . . . . . . . . . 4.3 m -92.75 0.91 57.5 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 119.885 1.221 . . . . 88.7 111.975 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 449' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -69.34 -45.01 70.48 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.261 0.467 . . . . 80.89 112.261 -166.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 450' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.9 -46.4 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 C-N-CA 118.345 -1.342 . . . . 74.03 109.714 -173.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 451' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -61.95 -42.12 98.75 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.611 -0.436 . . . . 105.4 111.346 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 452' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.53 -36.85 71.16 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.359 -0.936 . . . . 85.69 111.283 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 453' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -65.24 -35.36 80.79 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 118.663 -1.215 . . . . 77.22 111.157 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 454' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -70.09 -46.92 63.85 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 119.234 -0.987 . . . . 76.65 111.054 -177.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 455' ' ' ALA . . . . . . . . . . . . . . . -53.53 -47.79 69.64 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 111.683 0.253 . . . . 72.76 111.683 169.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 456' ' ' MSE . . . . . . . . . . . . . 3.3 tpp -65.33 -36.82 85.21 Favored 'General case' 0 CA--C 1.49 -1.361 0 O-C-N 121.418 -0.802 . . . . 101.63 112.533 -175.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -60.62 -39.51 88.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 119.41 1.004 . . . . 99.35 110.628 174.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 458' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.93 -43.81 86.98 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.965 -0.694 . . . . 78.72 111.061 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 459' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.42 -41.96 99.09 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 120.439 -0.504 . . . . 97.0 111.682 177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 460' ' ' TYR . . . . . 0.545 ' OH ' ' OE1' ' B' ' 431' ' ' GLU . 63.4 t80 -61.54 -49.49 76.46 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.325 -0.95 . . . . 96.52 110.956 177.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 461' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -59.86 -40.65 89.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.362 -0.535 . . . . 77.78 110.93 -176.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 462' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.12 -40.2 86.77 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.114 -0.634 . . . . 96.28 111.154 176.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 463' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -57.12 -47.73 80.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.671 0.272 . . . . 78.31 111.235 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -57.49 -33.08 67.65 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 111.922 0.341 . . . . 93.55 111.922 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 465' ' ' VAL . . . . . . . . . . . . . 55.1 t -75.79 -43.16 40.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 O-C-N 122.148 -0.345 . . . . 84.76 111.155 177.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 466' ' ' ARG . . . . . . . . . . . . . 50.9 mtm-85 -60.06 -34.98 74.16 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 119.06 -1.056 . . . . 98.6 110.885 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 467' ' ' ILE . . . . . . . . . . . . . 8.5 mm -68.48 -48.21 73.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.578 -0.449 . . . . 91.75 110.03 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 468' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -50.95 -42.82 60.04 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.391 -0.523 . . . . 90.91 111.409 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 469' ' ' GLY . . . . . . . . . . . . . . . -70.16 -17.04 73.58 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-O 118.796 -1.002 . . . . 98.42 114.66 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 470' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.93 -30.14 21.55 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 118.548 1.174 . . . . 100.14 112.375 172.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 471' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.58 -50.79 69.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.568 -0.453 . . . . 117.06 110.549 173.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.17 -18.31 65.27 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.051 0.759 . . . . 120.74 113.051 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 473' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -91.29 26.96 2.05 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.136 0.493 . . . . 120.2 110.399 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 474' ' ' ALA . . . . . . . . . . . . . . . -140.04 105.24 5.02 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 102.745 -3.057 . . . . 119.73 102.745 174.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 CA--C 1.539 0.535 0 CA-C-N 115.502 -0.772 . . . . 131.29 110.851 179.444 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' FLC . . . . . 0.524 ' OHB' ' OA2' ' A' ' 1' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' FLC . . . . . 0.524 ' OHB' ' OA2' ' B' ' 1' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 601' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 602' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.481 0 CA-C-O 121.076 0.465 . . . . 126.01000000000001 112.221 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 400' ' ' MSE . . . . . . . . . . . . . 22.1 ptp -69.21 -3.83 15.25 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.675 1.731 . . . . 170.30000000000001 115.675 -177.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 401' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 401' ' ' LEU . 4.5 pp -59.33 115.14 3.03 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 105.311 -2.107 . . . . 125.38 105.311 -173.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 68.6 p -144.69 170.21 16.52 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 104.097 -2.557 . . . . 97.349999999999994 104.097 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -60.48 -40.52 91.58 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 118.601 -1.24 . . . . 83.870000000000005 110.899 -177.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -70.97 -44.94 64.97 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.168 -1.013 . . . . 112.58 111.29 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 405' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.03 75.82 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.375 0.509 . . . . 81.489999999999995 112.375 176.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.1 -46.73 61.21 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.108 0.48 . . . . 85.349999999999994 111.142 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.01 82.93 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.063 -0.655 . . . . 80.530000000000001 110.874 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -72.45 -48.93 37.13 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 119.975 -0.69 . . . . 107.29000000000001 110.225 -177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 95.5 m -53.04 -37.9 61.96 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 121.062 -0.255 . . . . 79.920000000000002 111.549 173.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 410' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 9.6 t -73.11 -44.37 60.44 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.832 -0.747 . . . . 81.269999999999996 111.307 -178.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.25 -37.24 79.81 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 119.514 -0.874 . . . . 87.969999999999999 110.741 176.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -71.38 -49.15 45.0 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 118.735 -1.186 . . . . 79.640000000000001 110.954 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -56.72 -30.74 63.81 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 118.803 -1.159 . . . . 80.719999999999999 111.037 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 414' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 410' ' ' SER . 37.7 mtp180 -70.97 -13.69 62.1 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 113.475 0.917 . . . . 111.97 113.475 178.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -95.18 -45.26 7.27 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.786 0.721 . . . . 85.75 111.818 170.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 416' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -64.79 -46.9 80.11 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.174 -0.466 . . . . 86.209999999999994 111.687 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 417' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.85 -53.97 60.17 Favored Pre-proline 0 C--O 1.242 0.694 0 CA-C-O 118.586 -0.721 . . . . 81.310000000000002 112.169 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 418' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -52.33 -47.27 27.79 Favored 'Trans proline' 0 C--O 1.24 0.596 0 CA-C-N 121.063 1.415 . . . . 82.469999999999999 111.689 172.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 419' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -52.64 -49.62 64.8 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 112.188 0.44 . . . . 80.030000000000001 112.188 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 52.0 t -57.6 -48.91 82.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 120.804 0.335 . . . . 84.010000000000005 110.756 178.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -61.42 -45.17 95.43 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.507 -0.746 . . . . 117.28 111.817 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.7 -41.76 99.3 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.267 -0.573 . . . . 93.290000000000006 111.425 -172.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 423' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -108.82 11.35 26.27 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 112.91 0.707 . . . . 87.260000000000005 112.91 -175.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 424' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 49.87 54.74 10.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.677 1.227 . . . . 110.06 110.127 174.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 425' ' ' ILE . . . . . . . . . . . . . 23.9 mm -70.48 137.12 24.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 114.311 -1.313 . . . . 84.950000000000003 110.401 -175.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 426' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -134.61 129.15 19.34 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 107.338 -1.356 . . . . 98.049999999999997 107.338 -178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -74.13 172.57 61.15 Favored 'Cis proline' 0 C--N 1.345 0.357 0 C-N-CA 124.598 -1.001 . . . . 94.359999999999999 112.015 -13.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -80.9 -15.84 55.21 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.569 0.952 . . . . 100.98 113.569 -175.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.71 126.7 82.14 Favored Pre-proline 0 C--O 1.237 0.398 0 CA-C-N 119.728 1.149 . . . . 88.560000000000002 109.946 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -69.44 -33.43 17.82 Favored 'Trans proline' 0 CA--C 1.512 -0.581 0 CA-C-N 118.962 0.665 . . . . 90.430000000000007 113.174 -168.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 431' ' ' GLU . . . . . 0.485 ' OE1' ' OH ' ' A' ' 460' ' ' TYR . 49.5 tp10 -62.95 -51.44 66.87 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 119.487 -0.885 . . . . 103.5 110.941 176.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 432' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -62.99 -37.43 87.12 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 120.628 -0.429 . . . . 94.870000000000005 111.504 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 433' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.26 -57.17 10.2 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.244 0.461 . . . . 96.239999999999995 112.244 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 434' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -67.51 -26.94 66.59 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 118.89 -1.124 . . . . 102.2 111.575 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 17.6 m -77.6 -30.39 52.42 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.94 0.719 . . . . 114.8 112.94 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.9 102.91 3.56 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 105.015 -2.217 . . . . 117.97 105.015 171.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -88.45 20.3 3.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.304 -0.862 . . . . 140.12 111.098 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.46 126.05 11.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 102.974 -2.973 . . . . 134.90000000000001 102.974 164.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -67.48 112.87 4.9 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 123.022 1.391 . . . . 204.94999999999999 108.839 -166.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -85.87 13.94 6.71 Favored 'General case' 0 C--O 1.242 0.703 1 C-N-CA 134.265 5.026 . . . . 107.55 115.386 -162.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 67.7 mt -93.61 -12.84 28.53 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 117.899 -1.52 . . . . 100.73 112.821 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.85 133.87 51.53 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 118.113 0.415 . . . . 133.63 110.124 -177.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 443' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 67.86 12.8 8.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 124.37 1.068 . . . . 116.23 113.032 171.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -101.19 130.74 47.34 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.475 1.034 . . . . 89.409999999999997 109.088 173.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 33.0 m -128.04 -12.24 3.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-O 121.133 0.492 . . . . 82.180000000000007 111.393 -167.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 446' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -77.64 138.7 62.64 Favored Pre-proline 0 C--N 1.316 -0.858 0 C-N-CA 115.554 -2.458 . . . . 96.120000000000005 109.871 -173.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -71.39 -16.37 31.04 Favored 'Trans proline' 0 C--O 1.24 0.597 0 N-CA-C 115.23 1.204 . . . . 85.040000000000006 115.23 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 4.5 m -91.29 2.69 56.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.826 1.194 . . . . 88.75 112.249 177.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -69.22 -46.56 67.08 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.121 -0.632 . . . . 80.189999999999998 112.296 -168.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 450' ' ' VAL . . . . . . . . . . . . . 42.0 t -64.5 -46.75 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 C-N-CA 118.936 -1.106 . . . . 76.629999999999995 109.916 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 451' ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' ' 451' ' ' LYS . 25.2 ttpt -61.88 -44.25 97.2 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 122.167 -0.333 . . . . 108.52 111.235 177.141 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -68.91 -37.32 78.89 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.463 -0.895 . . . . 85.920000000000002 111.307 -177.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 453' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -65.09 -33.4 75.94 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 118.345 -1.342 . . . . 77.920000000000002 111.303 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -73.26 -46.22 51.27 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.019 -1.073 . . . . 76.760000000000005 110.806 -177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -51.71 -48.65 63.47 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 111.702 0.26 . . . . 75.909999999999997 111.702 168.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 456' ' ' MSE . . . . . . . . . . . . . 4.3 tpp -64.08 -38.88 92.67 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 118.328 -0.844 . . . . 102.20999999999999 112.377 -175.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -59.67 -40.2 86.98 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 119.489 1.04 . . . . 102.44 110.727 176.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.44 -42.1 92.77 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.002 -0.679 . . . . 77.939999999999998 111.085 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 459' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -63.24 -40.7 98.18 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 119.872 -0.731 . . . . 97.859999999999999 111.788 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 460' ' ' TYR . . . . . 0.485 ' OH ' ' OE1' ' A' ' 431' ' ' GLU . 66.9 t80 -63.64 -47.19 82.32 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 119.307 -0.957 . . . . 95.810000000000002 111.144 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 461' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.78 -39.76 92.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.362 -0.535 . . . . 78.349999999999994 110.692 -175.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.72 -37.01 73.48 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.471 -0.492 . . . . 90.390000000000001 111.118 178.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -59.78 -47.85 84.05 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.986 0.422 . . . . 78.439999999999998 110.855 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -57.41 -33.87 68.33 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 111.88 0.326 . . . . 88.579999999999998 111.88 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 465' ' ' VAL . . . . . . . . . . . . . 42.6 t -73.02 -44.8 56.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 122.059 -0.401 . . . . 81.700000000000003 111.022 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 466' ' ' ARG . . . . . . . . . . . . . 54.7 mtm-85 -59.32 -36.4 75.57 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 120.177 -0.609 . . . . 95.930000000000007 110.963 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 14.1 mm -66.96 -45.48 87.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.349 -0.541 . . . . 90.909999999999997 110.186 176.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -53.39 -41.58 66.07 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.714 -0.794 . . . . 93.060000000000002 111.06 177.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -73.1 -14.51 78.89 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-O 118.944 -0.92 . . . . 98.950000000000003 114.734 178.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.32 -31.41 20.2 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 118.23 1.015 . . . . 98.819999999999993 112.283 170.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 471' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.55 -47.23 87.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.16 0.505 . . . . 114.06999999999999 110.55 173.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.12 -17.05 63.8 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.612 0.967 . . . . 118.90000000000001 113.612 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -93.51 28.42 2.29 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 118.563 0.619 . . . . 116.65000000000001 110.529 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -140.79 105.01 4.82 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 101.663 -3.458 . . . . 117.12 101.663 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.447 0.641 . . . . 132.16 109.387 178.225 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 399' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.656 0 N-CA-C 111.895 0.331 . . . . 123.51000000000001 111.895 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 400' ' ' MSE . . . . . . . . . . . . . 23.2 ptp -68.93 -4.09 15.26 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.443 2.016 . . . . 173.56999999999999 116.443 -177.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 401' ' ' LEU . . . . . 0.606 ' O ' HD12 ' B' ' 401' ' ' LEU . 4.5 pp -61.17 113.87 2.83 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 105.819 -1.919 . . . . 124.52 105.819 -173.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 402' ' ' THR . . . . . 0.465 ' H ' ' HB3' ' B' ' 405' ' ' ALA . 77.5 p -140.78 171.22 14.4 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 104.075 -2.565 . . . . 93.129999999999995 104.075 171.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 403' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -59.86 -42.34 93.47 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 118.448 -1.301 . . . . 83.359999999999999 111.233 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 404' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -68.2 -46.04 71.71 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.53 -0.868 . . . . 109.18000000000001 111.362 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 405' ' ' ALA . . . . . 0.465 ' HB3' ' H ' ' B' ' 402' ' ' THR . . . -55.94 -40.77 73.64 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 112.319 0.488 . . . . 82.879999999999995 112.319 176.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.23 -46.78 63.78 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.332 -0.547 . . . . 84.870000000000005 111.128 -177.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.75 -33.79 75.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.018 -1.073 . . . . 78.370000000000005 110.836 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 408' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -71.06 -50.99 27.93 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 119.898 -0.721 . . . . 107.86 110.268 -179.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 409' ' ' THR . . . . . . . . . . . . . 71.5 m -50.76 -44.06 58.48 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 120.956 -0.297 . . . . 80.349999999999994 111.73 172.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 410' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 9.8 t -63.66 -44.82 92.64 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.586 -1.245 . . . . 82.420000000000002 110.941 179.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -63.04 -35.27 79.69 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 119.703 -0.799 . . . . 90.599999999999994 111.096 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 412' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -73.42 -49.3 27.72 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 118.186 -1.406 . . . . 80.810000000000002 110.851 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -52.9 -33.32 49.75 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.747 -0.781 . . . . 75.170000000000002 111.382 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 414' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 410' ' ' SER . 40.7 mtp180 -70.56 -14.41 62.49 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.575 0.954 . . . . 113.81999999999999 113.575 178.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -94.41 -46.05 7.19 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 119.373 0.988 . . . . 88.450000000000003 111.125 171.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 416' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -64.13 -48.4 76.24 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.777 -0.647 . . . . 85.219999999999999 112.033 -177.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 417' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.01 -52.59 73.32 Favored Pre-proline 0 C--O 1.244 0.792 0 CA-C-O 118.683 -0.675 . . . . 78.140000000000001 111.809 -174.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -53.27 -48.01 24.32 Favored 'Trans proline' 0 C--O 1.238 0.507 0 CA-C-N 120.961 1.379 . . . . 82.579999999999998 112.674 171.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 419' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -52.32 -49.69 63.75 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 120.575 0.226 . . . . 77.5 111.249 -177.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 420' ' ' VAL . . . . . . . . . . . . . 53.8 t -54.96 -53.84 29.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.535 0.207 . . . . 84.859999999999999 110.81 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -58.71 -42.8 89.51 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.567 -0.853 . . . . 116.97 111.916 -177.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.07 -40.92 95.37 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 119.938 -0.705 . . . . 96.819999999999993 111.646 -173.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 423' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -110.25 12.66 23.23 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 112.983 0.734 . . . . 85.689999999999998 112.983 -175.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 49.47 54.51 10.87 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 123.134 1.445 . . . . 108.22 110.619 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 425' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.82 132.62 32.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 113.652 -1.613 . . . . 83.870000000000005 110.006 -174.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -133.53 129.64 20.61 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 108.283 -1.006 . . . . 102.52 108.283 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 427' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.26 178.0 35.7 Favored 'Cis proline' 0 N--CA 1.46 -0.442 0 C-N-CA 124.053 -1.228 . . . . 91.849999999999994 111.645 -11.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 428' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -89.09 -17.59 28.97 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.103 1.149 . . . . 108.66 114.103 -173.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.87 126.61 88.15 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 119.602 1.092 . . . . 88.989999999999995 109.213 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 430' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -68.36 -29.94 30.88 Favored 'Trans proline' 0 CA--C 1.509 -0.733 0 CA-C-N 118.865 0.63 . . . . 88.450000000000003 113.064 -170.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 431' ' ' GLU . . . . . 0.431 ' OE1' ' OH ' ' B' ' 460' ' ' TYR . 50.9 tp10 -64.21 -50.14 69.23 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 119.665 -0.814 . . . . 106.84999999999999 110.961 175.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 432' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -63.78 -39.57 94.58 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.185 -0.606 . . . . 97.719999999999999 111.196 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 433' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -62.33 -56.11 21.6 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 112.17 0.433 . . . . 94.299999999999997 112.17 -176.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 434' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -70.18 -26.42 63.9 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.515 -1.274 . . . . 103.84 111.401 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 19.1 m -78.08 -30.27 49.57 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.831 0.678 . . . . 112.79000000000001 112.831 -178.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 436' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -72.66 102.63 3.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 104.88 -2.267 . . . . 115.73 104.88 172.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 437' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -87.96 20.64 3.02 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.33 -0.85 . . . . 128.15000000000001 110.541 176.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 438' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.51 126.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 N-CA-C 103.715 -2.698 . . . . 125.77 103.715 164.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -67.23 113.27 5.02 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 122.707 1.241 . . . . 140.53 109.167 -166.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 440' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -86.47 14.79 6.19 Favored 'General case' 0 C--O 1.242 0.701 1 C-N-CA 134.175 4.99 . . . . 103.55 115.268 -162.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 61.2 mt -94.13 -11.28 30.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 120.537 1.517 . . . . 98.920000000000002 112.629 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.57 131.5 50.98 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.322 -0.622 . . . . 129.66 109.322 -176.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 443' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 68.53 11.66 8.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.445 0.906 . . . . 115.17 113.445 172.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 444' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -97.84 131.46 44.31 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 119.682 1.128 . . . . 89.890000000000001 108.615 171.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 445' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.49 -13.0 3.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-N 116.214 -0.448 . . . . 81.370000000000005 110.579 -168.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 446' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -76.81 136.73 66.66 Favored Pre-proline 0 C--N 1.319 -0.723 0 C-N-CA 116.549 -2.06 . . . . 96.890000000000001 109.984 -173.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 447' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -71.93 -12.52 28.48 Favored 'Trans proline' 0 C--O 1.239 0.535 0 N-CA-C 115.156 1.176 . . . . 84.25 115.156 -175.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 448' ' ' SER . . . . . . . . . . . . . 4.3 m -92.75 0.91 57.5 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 119.885 1.221 . . . . 88.700000000000003 111.975 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 449' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -69.34 -45.01 70.48 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.261 0.467 . . . . 80.890000000000001 112.261 -166.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 450' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.9 -46.4 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 C-N-CA 118.345 -1.342 . . . . 74.030000000000001 109.714 -173.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 451' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -61.95 -42.12 98.75 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.611 -0.436 . . . . 105.40000000000001 111.346 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 452' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.53 -36.85 71.16 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.359 -0.936 . . . . 85.689999999999998 111.283 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 453' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -65.24 -35.36 80.79 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 118.663 -1.215 . . . . 77.219999999999999 111.157 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 454' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -70.09 -46.92 63.85 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 119.234 -0.987 . . . . 76.650000000000006 111.054 -177.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 455' ' ' ALA . . . . . . . . . . . . . . . -53.53 -47.79 69.64 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 111.683 0.253 . . . . 72.760000000000005 111.683 169.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 456' ' ' MSE . . . . . . . . . . . . . 3.3 tpp -65.33 -36.82 85.21 Favored 'General case' 0 CA--C 1.49 -1.361 0 O-C-N 121.418 -0.802 . . . . 101.63 112.533 -175.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -60.62 -39.51 88.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 119.41 1.004 . . . . 99.349999999999994 110.628 174.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 458' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.93 -43.81 86.98 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.965 -0.694 . . . . 78.719999999999999 111.061 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 459' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.42 -41.96 99.09 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 120.439 -0.504 . . . . 97.0 111.682 177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 460' ' ' TYR . . . . . 0.431 ' OH ' ' OE1' ' B' ' 431' ' ' GLU . 63.4 t80 -61.54 -49.49 76.46 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.325 -0.95 . . . . 96.519999999999996 110.956 177.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 461' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -59.86 -40.65 89.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.362 -0.535 . . . . 77.780000000000001 110.93 -176.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 462' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.12 -40.2 86.77 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.114 -0.634 . . . . 96.280000000000001 111.154 176.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 463' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -57.12 -47.73 80.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.671 0.272 . . . . 78.310000000000002 111.235 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -57.49 -33.08 67.65 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 111.922 0.341 . . . . 93.549999999999997 111.922 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 465' ' ' VAL . . . . . . . . . . . . . 55.1 t -75.79 -43.16 40.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 O-C-N 122.148 -0.345 . . . . 84.760000000000005 111.155 177.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 466' ' ' ARG . . . . . . . . . . . . . 50.9 mtm-85 -60.06 -34.98 74.16 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 119.06 -1.056 . . . . 98.599999999999994 110.885 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 467' ' ' ILE . . . . . . . . . . . . . 8.5 mm -68.48 -48.21 73.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.578 -0.449 . . . . 91.75 110.03 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 468' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -50.95 -42.82 60.04 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.391 -0.523 . . . . 90.909999999999997 111.409 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 469' ' ' GLY . . . . . . . . . . . . . . . -70.16 -17.04 73.58 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-O 118.796 -1.002 . . . . 98.420000000000002 114.66 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 470' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.93 -30.14 21.55 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 118.548 1.174 . . . . 100.14 112.375 172.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 471' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.58 -50.79 69.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.568 -0.453 . . . . 117.06 110.549 173.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.17 -18.31 65.27 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.051 0.759 . . . . 120.73999999999999 113.051 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 473' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -91.29 26.96 2.05 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.136 0.493 . . . . 120.2 110.399 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 474' ' ' ALA . . . . . . . . . . . . . . . -140.04 105.24 5.02 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 102.745 -3.057 . . . . 119.73 102.745 174.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 CA--C 1.539 0.535 0 CA-C-N 115.502 -0.772 . . . . 131.28999999999999 110.851 179.444 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' FLC . . . . . 0.501 ' OA2' ' OHB' ' A' ' 1' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 601' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 602' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' FLC . . . . . 0.515 ' OA2' ' OHB' ' B' ' 1' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 601' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 602' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.481 0 CA-C-O 121.076 0.465 . . . . 126.01000000000001 112.221 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' MSE . . . . . . . . . . . . . 22.1 ptp -69.21 -3.83 15.25 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.675 1.731 . . . . 170.30000000000001 115.675 -177.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 401' ' ' LEU . 4.5 pp -59.33 115.14 3.03 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 105.311 -2.107 . . . . 125.38 105.311 -173.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 68.6 p -144.69 170.21 16.52 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 104.097 -2.557 . . . . 97.349999999999994 104.097 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -60.48 -40.52 91.58 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 118.601 -1.24 . . . . 83.870000000000005 110.899 -177.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -70.97 -44.94 64.97 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.168 -1.013 . . . . 112.58 111.29 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.03 75.82 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.375 0.509 . . . . 81.489999999999995 112.375 176.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.1 -46.73 61.21 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.108 0.48 . . . . 85.349999999999994 111.142 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.01 82.93 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.063 -0.655 . . . . 80.530000000000001 110.874 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -72.45 -48.93 37.13 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 119.975 -0.69 . . . . 107.29000000000001 110.225 -177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 95.5 m -53.04 -37.9 61.96 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 121.062 -0.255 . . . . 79.920000000000002 111.549 173.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 9.6 t -73.11 -44.37 60.44 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.832 -0.747 . . . . 81.269999999999996 111.307 -178.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.25 -37.24 79.81 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 119.514 -0.874 . . . . 87.969999999999999 110.741 176.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -71.38 -49.15 45.0 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 118.735 -1.186 . . . . 79.640000000000001 110.954 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -56.72 -30.74 63.81 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 118.803 -1.159 . . . . 80.719999999999999 111.037 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 410' ' ' SER . 37.7 mtp180 -70.97 -13.69 62.1 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 113.475 0.917 . . . . 111.97 113.475 178.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -95.18 -45.26 7.27 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.786 0.721 . . . . 85.75 111.818 170.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -64.79 -46.9 80.11 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.174 -0.466 . . . . 86.209999999999994 111.687 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.85 -53.97 60.17 Favored Pre-proline 0 C--O 1.242 0.694 0 CA-C-O 118.586 -0.721 . . . . 81.310000000000002 112.169 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -52.33 -47.27 27.79 Favored 'Trans proline' 0 C--O 1.24 0.596 0 CA-C-N 121.063 1.415 . . . . 82.469999999999999 111.689 172.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -52.64 -49.62 64.8 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 112.188 0.44 . . . . 80.030000000000001 112.188 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 52.0 t -57.6 -48.91 82.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 120.804 0.335 . . . . 84.010000000000005 110.756 178.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -61.42 -45.17 95.43 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.507 -0.746 . . . . 117.28 111.817 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.7 -41.76 99.3 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.267 -0.573 . . . . 93.290000000000006 111.425 -172.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -108.82 11.35 26.27 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 112.91 0.707 . . . . 87.260000000000005 112.91 -175.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 49.87 54.74 10.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.677 1.227 . . . . 110.06 110.127 174.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' ILE . . . . . . . . . . . . . 23.9 mm -70.48 137.12 24.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 114.311 -1.313 . . . . 84.950000000000003 110.401 -175.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -134.61 129.15 19.34 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 107.338 -1.356 . . . . 98.049999999999997 107.338 -178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -74.13 172.57 61.15 Favored 'Cis proline' 0 C--N 1.345 0.357 0 C-N-CA 124.598 -1.001 . . . . 94.359999999999999 112.015 -13.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -80.9 -15.84 55.21 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.569 0.952 . . . . 100.98 113.569 -175.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.71 126.7 82.14 Favored Pre-proline 0 C--O 1.237 0.398 0 CA-C-N 119.728 1.149 . . . . 88.560000000000002 109.946 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -69.44 -33.43 17.82 Favored 'Trans proline' 0 CA--C 1.512 -0.581 0 CA-C-N 118.962 0.665 . . . . 90.430000000000007 113.174 -168.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.485 ' OE1' ' OH ' ' A' ' 460' ' ' TYR . 49.5 tp10 -62.95 -51.44 66.87 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 119.487 -0.885 . . . . 103.5 110.941 176.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 432' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -62.99 -37.43 87.12 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 120.628 -0.429 . . . . 94.870000000000005 111.504 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 433' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.26 -57.17 10.2 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.244 0.461 . . . . 96.239999999999995 112.244 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 434' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -67.51 -26.94 66.59 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 118.89 -1.124 . . . . 102.2 111.575 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 17.6 m -77.6 -30.39 52.42 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.94 0.719 . . . . 114.8 112.94 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.9 102.91 3.56 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 105.015 -2.217 . . . . 117.97 105.015 171.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -88.45 20.3 3.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.304 -0.862 . . . . 140.12 111.098 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.46 126.05 11.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 102.974 -2.973 . . . . 134.90000000000001 102.974 164.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -67.48 112.87 4.9 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 123.022 1.391 . . . . 204.94999999999999 108.839 -166.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 440' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -85.87 13.94 6.71 Favored 'General case' 0 C--O 1.242 0.703 1 C-N-CA 134.265 5.026 . . . . 107.55 115.386 -162.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 67.7 mt -93.61 -12.84 28.53 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 117.899 -1.52 . . . . 100.73 112.821 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.85 133.87 51.53 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 118.113 0.415 . . . . 133.63 110.124 -177.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 443' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 67.86 12.8 8.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 124.37 1.068 . . . . 116.23 113.032 171.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -101.19 130.74 47.34 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.475 1.034 . . . . 89.409999999999997 109.088 173.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 33.0 m -128.04 -12.24 3.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-O 121.133 0.492 . . . . 82.180000000000007 111.393 -167.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 446' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -77.64 138.7 62.64 Favored Pre-proline 0 C--N 1.316 -0.858 0 C-N-CA 115.554 -2.458 . . . . 96.120000000000005 109.871 -173.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -71.39 -16.37 31.04 Favored 'Trans proline' 0 C--O 1.24 0.597 0 N-CA-C 115.23 1.204 . . . . 85.040000000000006 115.23 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 4.5 m -91.29 2.69 56.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.826 1.194 . . . . 88.75 112.249 177.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -69.22 -46.56 67.08 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.121 -0.632 . . . . 80.189999999999998 112.296 -168.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' VAL . . . . . . . . . . . . . 42.0 t -64.5 -46.75 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 C-N-CA 118.936 -1.106 . . . . 76.629999999999995 109.916 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' ' 451' ' ' LYS . 25.2 ttpt -61.88 -44.25 97.2 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 122.167 -0.333 . . . . 108.52 111.235 177.141 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 452' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -68.91 -37.32 78.89 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.463 -0.895 . . . . 85.920000000000002 111.307 -177.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 453' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -65.09 -33.4 75.94 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 118.345 -1.342 . . . . 77.920000000000002 111.303 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -73.26 -46.22 51.27 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.019 -1.073 . . . . 76.760000000000005 110.806 -177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -51.71 -48.65 63.47 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 111.702 0.26 . . . . 75.909999999999997 111.702 168.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 456' ' ' MSE . . . . . . . . . . . . . 4.3 tpp -64.08 -38.88 92.67 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 118.328 -0.844 . . . . 102.20999999999999 112.377 -175.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -59.67 -40.2 86.98 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 119.489 1.04 . . . . 102.44 110.727 176.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.44 -42.1 92.77 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.002 -0.679 . . . . 77.939999999999998 111.085 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 459' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -63.24 -40.7 98.18 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 119.872 -0.731 . . . . 97.859999999999999 111.788 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 460' ' ' TYR . . . . . 0.485 ' OH ' ' OE1' ' A' ' 431' ' ' GLU . 66.9 t80 -63.64 -47.19 82.32 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 119.307 -0.957 . . . . 95.810000000000002 111.144 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 461' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.78 -39.76 92.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.362 -0.535 . . . . 78.349999999999994 110.692 -175.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.72 -37.01 73.48 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.471 -0.492 . . . . 90.390000000000001 111.118 178.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -59.78 -47.85 84.05 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.986 0.422 . . . . 78.439999999999998 110.855 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -57.41 -33.87 68.33 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 111.88 0.326 . . . . 88.579999999999998 111.88 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 465' ' ' VAL . . . . . . . . . . . . . 42.6 t -73.02 -44.8 56.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 122.059 -0.401 . . . . 81.700000000000003 111.022 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 466' ' ' ARG . . . . . . . . . . . . . 54.7 mtm-85 -59.32 -36.4 75.57 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 120.177 -0.609 . . . . 95.930000000000007 110.963 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 14.1 mm -66.96 -45.48 87.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.349 -0.541 . . . . 90.909999999999997 110.186 176.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -53.39 -41.58 66.07 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.714 -0.794 . . . . 93.060000000000002 111.06 177.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -73.1 -14.51 78.89 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-O 118.944 -0.92 . . . . 98.950000000000003 114.734 178.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.32 -31.41 20.2 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 118.23 1.015 . . . . 98.819999999999993 112.283 170.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 471' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.55 -47.23 87.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.16 0.505 . . . . 114.06999999999999 110.55 173.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.12 -17.05 63.8 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.612 0.967 . . . . 118.90000000000001 113.612 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -93.51 28.42 2.29 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 118.563 0.619 . . . . 116.65000000000001 110.529 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -140.79 105.01 4.82 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 101.663 -3.458 . . . . 117.12 101.663 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.447 0.641 . . . . 132.16 109.387 178.225 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 399' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.656 0 N-CA-C 111.895 0.331 . . . . 123.51000000000001 111.895 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 400' ' ' MSE . . . . . . . . . . . . . 23.2 ptp -68.93 -4.09 15.26 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.443 2.016 . . . . 173.56999999999999 116.443 -177.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.606 ' O ' HD12 ' B' ' 401' ' ' LEU . 4.5 pp -61.17 113.87 2.83 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 105.819 -1.919 . . . . 124.52 105.819 -173.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 402' ' ' THR . . . . . 0.465 ' H ' ' HB3' ' B' ' 405' ' ' ALA . 77.5 p -140.78 171.22 14.4 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 104.075 -2.565 . . . . 93.129999999999995 104.075 171.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 403' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -59.86 -42.34 93.47 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 118.448 -1.301 . . . . 83.359999999999999 111.233 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 404' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -68.2 -46.04 71.71 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.53 -0.868 . . . . 109.18000000000001 111.362 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 405' ' ' ALA . . . . . 0.465 ' HB3' ' H ' ' B' ' 402' ' ' THR . . . -55.94 -40.77 73.64 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 112.319 0.488 . . . . 82.879999999999995 112.319 176.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.23 -46.78 63.78 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.332 -0.547 . . . . 84.870000000000005 111.128 -177.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.75 -33.79 75.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.018 -1.073 . . . . 78.370000000000005 110.836 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 408' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -71.06 -50.99 27.93 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 119.898 -0.721 . . . . 107.86 110.268 -179.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 409' ' ' THR . . . . . . . . . . . . . 71.5 m -50.76 -44.06 58.48 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 120.956 -0.297 . . . . 80.349999999999994 111.73 172.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 410' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 9.8 t -63.66 -44.82 92.64 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.586 -1.245 . . . . 82.420000000000002 110.941 179.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -63.04 -35.27 79.69 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 119.703 -0.799 . . . . 90.599999999999994 111.096 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 412' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -73.42 -49.3 27.72 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 118.186 -1.406 . . . . 80.810000000000002 110.851 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -52.9 -33.32 49.75 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.747 -0.781 . . . . 75.170000000000002 111.382 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 410' ' ' SER . 40.7 mtp180 -70.56 -14.41 62.49 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.575 0.954 . . . . 113.81999999999999 113.575 178.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -94.41 -46.05 7.19 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 119.373 0.988 . . . . 88.450000000000003 111.125 171.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 416' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -64.13 -48.4 76.24 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.777 -0.647 . . . . 85.219999999999999 112.033 -177.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 417' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.01 -52.59 73.32 Favored Pre-proline 0 C--O 1.244 0.792 0 CA-C-O 118.683 -0.675 . . . . 78.140000000000001 111.809 -174.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -53.27 -48.01 24.32 Favored 'Trans proline' 0 C--O 1.238 0.507 0 CA-C-N 120.961 1.379 . . . . 82.579999999999998 112.674 171.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 419' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -52.32 -49.69 63.75 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 120.575 0.226 . . . . 77.5 111.249 -177.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 420' ' ' VAL . . . . . . . . . . . . . 53.8 t -54.96 -53.84 29.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.535 0.207 . . . . 84.859999999999999 110.81 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -58.71 -42.8 89.51 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.567 -0.853 . . . . 116.97 111.916 -177.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.07 -40.92 95.37 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 119.938 -0.705 . . . . 96.819999999999993 111.646 -173.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 423' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -110.25 12.66 23.23 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 112.983 0.734 . . . . 85.689999999999998 112.983 -175.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 49.47 54.51 10.87 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 123.134 1.445 . . . . 108.22 110.619 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 425' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.82 132.62 32.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 113.652 -1.613 . . . . 83.870000000000005 110.006 -174.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -133.53 129.64 20.61 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 108.283 -1.006 . . . . 102.52 108.283 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 427' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.26 178.0 35.7 Favored 'Cis proline' 0 N--CA 1.46 -0.442 0 C-N-CA 124.053 -1.228 . . . . 91.849999999999994 111.645 -11.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 428' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -89.09 -17.59 28.97 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.103 1.149 . . . . 108.66 114.103 -173.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.87 126.61 88.15 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 119.602 1.092 . . . . 88.989999999999995 109.213 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 430' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -68.36 -29.94 30.88 Favored 'Trans proline' 0 CA--C 1.509 -0.733 0 CA-C-N 118.865 0.63 . . . . 88.450000000000003 113.064 -170.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.431 ' OE1' ' OH ' ' B' ' 460' ' ' TYR . 50.9 tp10 -64.21 -50.14 69.23 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 119.665 -0.814 . . . . 106.84999999999999 110.961 175.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 432' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -63.78 -39.57 94.58 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.185 -0.606 . . . . 97.719999999999999 111.196 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 433' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -62.33 -56.11 21.6 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 112.17 0.433 . . . . 94.299999999999997 112.17 -176.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 434' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -70.18 -26.42 63.9 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.515 -1.274 . . . . 103.84 111.401 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 19.1 m -78.08 -30.27 49.57 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.831 0.678 . . . . 112.79000000000001 112.831 -178.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 436' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -72.66 102.63 3.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 104.88 -2.267 . . . . 115.73 104.88 172.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 437' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -87.96 20.64 3.02 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.33 -0.85 . . . . 128.15000000000001 110.541 176.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 438' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.51 126.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 N-CA-C 103.715 -2.698 . . . . 125.77 103.715 164.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -67.23 113.27 5.02 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 122.707 1.241 . . . . 140.53 109.167 -166.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 440' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -86.47 14.79 6.19 Favored 'General case' 0 C--O 1.242 0.701 1 C-N-CA 134.175 4.99 . . . . 103.55 115.268 -162.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 61.2 mt -94.13 -11.28 30.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 120.537 1.517 . . . . 98.920000000000002 112.629 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.57 131.5 50.98 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.322 -0.622 . . . . 129.66 109.322 -176.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 443' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 68.53 11.66 8.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.445 0.906 . . . . 115.17 113.445 172.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 444' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -97.84 131.46 44.31 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 119.682 1.128 . . . . 89.890000000000001 108.615 171.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 445' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.49 -13.0 3.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-N 116.214 -0.448 . . . . 81.370000000000005 110.579 -168.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 446' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -76.81 136.73 66.66 Favored Pre-proline 0 C--N 1.319 -0.723 0 C-N-CA 116.549 -2.06 . . . . 96.890000000000001 109.984 -173.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 447' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -71.93 -12.52 28.48 Favored 'Trans proline' 0 C--O 1.239 0.535 0 N-CA-C 115.156 1.176 . . . . 84.25 115.156 -175.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 448' ' ' SER . . . . . . . . . . . . . 4.3 m -92.75 0.91 57.5 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 119.885 1.221 . . . . 88.700000000000003 111.975 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 449' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -69.34 -45.01 70.48 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.261 0.467 . . . . 80.890000000000001 112.261 -166.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 450' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.9 -46.4 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 C-N-CA 118.345 -1.342 . . . . 74.030000000000001 109.714 -173.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 451' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -61.95 -42.12 98.75 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.611 -0.436 . . . . 105.40000000000001 111.346 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 452' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.53 -36.85 71.16 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.359 -0.936 . . . . 85.689999999999998 111.283 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 453' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -65.24 -35.36 80.79 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 118.663 -1.215 . . . . 77.219999999999999 111.157 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 454' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -70.09 -46.92 63.85 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 119.234 -0.987 . . . . 76.650000000000006 111.054 -177.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 455' ' ' ALA . . . . . . . . . . . . . . . -53.53 -47.79 69.64 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 111.683 0.253 . . . . 72.760000000000005 111.683 169.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 456' ' ' MSE . . . . . . . . . . . . . 3.3 tpp -65.33 -36.82 85.21 Favored 'General case' 0 CA--C 1.49 -1.361 0 O-C-N 121.418 -0.802 . . . . 101.63 112.533 -175.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -60.62 -39.51 88.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 119.41 1.004 . . . . 99.349999999999994 110.628 174.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 458' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.93 -43.81 86.98 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.965 -0.694 . . . . 78.719999999999999 111.061 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 459' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.42 -41.96 99.09 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 120.439 -0.504 . . . . 97.0 111.682 177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 460' ' ' TYR . . . . . 0.431 ' OH ' ' OE1' ' B' ' 431' ' ' GLU . 63.4 t80 -61.54 -49.49 76.46 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.325 -0.95 . . . . 96.519999999999996 110.956 177.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 461' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -59.86 -40.65 89.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.362 -0.535 . . . . 77.780000000000001 110.93 -176.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 462' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.12 -40.2 86.77 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.114 -0.634 . . . . 96.280000000000001 111.154 176.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 463' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -57.12 -47.73 80.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.671 0.272 . . . . 78.310000000000002 111.235 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -57.49 -33.08 67.65 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 111.922 0.341 . . . . 93.549999999999997 111.922 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 465' ' ' VAL . . . . . . . . . . . . . 55.1 t -75.79 -43.16 40.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 O-C-N 122.148 -0.345 . . . . 84.760000000000005 111.155 177.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 466' ' ' ARG . . . . . . . . . . . . . 50.9 mtm-85 -60.06 -34.98 74.16 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 119.06 -1.056 . . . . 98.599999999999994 110.885 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 467' ' ' ILE . . . . . . . . . . . . . 8.5 mm -68.48 -48.21 73.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.578 -0.449 . . . . 91.75 110.03 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 468' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -50.95 -42.82 60.04 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.391 -0.523 . . . . 90.909999999999997 111.409 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 469' ' ' GLY . . . . . . . . . . . . . . . -70.16 -17.04 73.58 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-O 118.796 -1.002 . . . . 98.420000000000002 114.66 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 470' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.93 -30.14 21.55 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 118.548 1.174 . . . . 100.14 112.375 172.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 471' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.58 -50.79 69.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.568 -0.453 . . . . 117.06 110.549 173.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.17 -18.31 65.27 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.051 0.759 . . . . 120.73999999999999 113.051 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 473' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -91.29 26.96 2.05 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.136 0.493 . . . . 120.2 110.399 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 474' ' ' ALA . . . . . . . . . . . . . . . -140.04 105.24 5.02 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 102.745 -3.057 . . . . 119.73 102.745 174.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 CA--C 1.539 0.535 0 CA-C-N 115.502 -0.772 . . . . 131.28999999999999 110.851 179.444 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' FLC . . . . . 0.501 ' OA2' ' OHB' ' A' ' 1' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' FLC . . . . . 0.515 ' OA2' ' OHB' ' B' ' 1' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 601' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 602' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_