data_6on8_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6on8 _Structure_validation_residue.Date_analyzed 2019-10-11 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 ' 1' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 112.248 0.462 . . . . 74.05 112.248 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -96.87 -3.7 41.52 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 114.139 1.163 . . . . 69.21 114.139 -174.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . 0.459 ' OD1' ' ND2' ' A' ' 5' ' ' ASN . 18.8 t0 -92.2 121.02 33.33 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.682 -1.229 . . . . 73.05 107.682 -175.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -113.79 19.12 16.93 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 122.773 0.429 . . . . 58.84 111.555 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . 0.459 ' ND2' ' OD1' ' A' ' 3' ' ' ASP . 23.0 m-80 -57.93 134.71 56.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.055 0.455 . . . . 67.39 111.569 177.247 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.6 -179.82 22.39 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 119.069 -1.539 . . . . 50.47 113.727 169.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.2 m -101.31 127.52 47.88 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.088 -1.449 . . . . 57.04 107.088 171.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -124.48 133.47 53.33 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.577 -0.897 . . . . 52.08 108.577 -174.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -116.84 137.12 52.42 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 119.516 -0.873 . . . . 94.82 110.293 175.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 41.4 ttm -67.28 131.06 44.99 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.781 -1.099 . . . . 53.57 109.948 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -97.19 -36.98 10.27 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 125.554 1.542 . . . . 96.55 111.947 171.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.5 t -150.41 144.44 25.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.402 -0.962 . . . . 58.95 108.402 -163.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -156.07 91.44 1.27 Allowed 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 106.501 -1.666 . . . . 58.78 106.501 -172.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -103.83 137.66 41.52 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 113.615 0.968 . . . . 84.12 113.615 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.7 t30 62.69 30.06 16.84 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.98 1.312 . . . . 55.13 111.897 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.16 -28.93 69.48 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.618 -0.833 . . . . 60.23 111.653 172.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.56 -44.74 63.98 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.514 -0.875 . . . . 95.68 111.575 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.15 -43.67 98.8 Favored Glycine 0 C--O 1.242 0.635 0 C-N-CA 119.772 -1.204 . . . . 54.53 111.929 178.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -56.18 -46.58 79.31 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.936 -0.743 . . . . 52.34 110.724 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.6 mtp -69.23 -39.46 78.52 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.278 -1.369 . . . . 72.66 112.066 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -59.22 -38.75 80.72 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.92 -0.712 . . . . 80.84 110.676 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.26 67.55 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.206 0.447 . . . . 55.74 112.206 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.8 mt -94.01 5.31 52.1 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 112.812 0.671 . . . . 62.39 112.812 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.95 31.81 13.52 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 123.444 0.698 . . . . 73.48 112.739 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 mm -69.6 135.43 28.29 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 N-CA-C 109.016 -0.735 . . . . 64.6 109.016 166.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -66.76 155.31 38.49 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 122.469 1.128 . . . . 95.86 112.302 -176.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -53.52 -37.79 63.13 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.398 -1.274 . . . . 84.92 112.606 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 m -75.06 -37.81 61.53 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.638 -0.825 . . . . 105.41 111.628 -172.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.3 m -65.98 -39.68 90.55 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.463 -0.495 . . . . 80.93 111.953 171.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.8 mtm-85 -62.92 -40.15 96.73 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 120.308 -0.557 . . . . 69.51 111.223 -178.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -61.04 -35.72 77.65 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.649 0.261 . . . . 83.02 111.279 -177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.3 mt -81.31 -41.4 18.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 122.115 -0.365 . . . . 67.84 111.129 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.06 80.89 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.837 0.68 . . . . 60.05 112.837 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -71.67 -18.9 20.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 119.462 -0.895 . . . . 65.76 112.48 -171.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -97.83 21.6 10.31 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.263 0.938 . . . . 94.26 113.239 176.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.3 m -103.84 152.13 22.27 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 123.482 0.713 . . . . 73.11 110.23 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 m -105.54 158.68 16.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.32 -0.992 . . . . 79.67 108.32 166.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -122.83 142.49 50.7 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.407 -0.59 . . . . 87.52 109.407 -178.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.8 m -114.49 138.43 50.61 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.915 -1.143 . . . . 77.61 107.915 167.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -127.55 118.83 24.71 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 107.296 -1.372 . . . . 79.98 107.296 -174.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -107.71 113.95 45.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 106.85 -1.537 . . . . 55.79 106.85 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.0 mt -111.03 118.96 58.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.256 -1.016 . . . . 57.36 108.256 -174.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -109.78 122.52 47.7 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.409 -0.96 . . . . 97.62 108.409 168.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -132.63 134.01 44.33 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.185 -1.043 . . . . 64.17 108.185 -173.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -135.43 106.31 6.61 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.637 -0.875 . . . . 99.37 108.637 172.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.12 -111.04 3.82 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 109.398 -1.481 . . . . 72.14 109.398 -174.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -114.76 10.79 16.64 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 112.236 0.458 . . . . 78.19 112.236 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -95.18 127.34 41.15 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.603 -0.888 . . . . 69.86 108.603 172.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -119.25 137.73 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.041 0.537 . . . . 59.9 110.079 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -125.54 126.8 45.4 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.273 -1.38 . . . . 93.31 107.273 166.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -128.91 126.13 39.05 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.131 0.572 . . . . 87.32 110.396 -175.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -120.53 115.13 22.83 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.991 -0.744 . . . . 99.87 108.991 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -107.2 140.24 40.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.321 -0.622 . . . . 72.03 109.321 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.3 p -132.55 137.08 46.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.646 -0.872 . . . . 76.71 108.646 171.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.4 m -99.02 142.21 30.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 78.55 109.911 174.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 p -134.36 140.6 46.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.819 -0.628 . . . . 78.06 109.724 -175.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -126.33 134.03 51.21 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.057 -1.09 . . . . 77.85 108.057 168.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -97.55 109.38 22.15 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.603 -1.258 . . . . 101.7 107.603 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -63.18 165.83 6.81 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.725 0.774 . . . . 84.13 109.362 173.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -75.65 154.99 36.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 117.83 -1.548 . . . . 113.42 110.261 -179.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.89 146.93 45.81 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.002 -0.999 . . . . 95.45 110.716 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.1 p -117.42 125.49 74.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.637 -1.246 . . . . 70.55 107.637 168.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.06 133.09 55.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.721 -1.214 . . . . 86.72 107.721 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -151.58 167.07 29.24 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.601 -0.889 . . . . 56.38 108.601 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.8 m -122.72 132.67 54.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.919 -1.141 . . . . 55.59 107.919 173.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.58 127.75 16.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 119.307 -0.957 . . . . 57.69 109.06 178.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.51 -16.86 59.26 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 115.797 1.079 . . . . 67.02 115.797 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.8 t -104.89 110.72 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 118.79 1.295 . . . . 52.89 108.287 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -57.92 135.46 56.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.084 0.468 . . . . 88.94 111.337 172.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -136.01 157.39 46.96 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.711 0.767 . . . . 55.64 109.62 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -92.75 130.91 38.22 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.154 -0.93 . . . . 67.83 109.298 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -132.26 136.22 46.8 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.057 -1.46 . . . . 86.29 107.057 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -112.38 119.34 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.139 -1.43 . . . . 65.47 107.139 171.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.4 p -87.85 59.67 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 122.34 1.067 . . . . 62.84 110.336 -171.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -76.95 -10.01 59.08 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 117.298 -1.761 . . . . 93.02 113.088 -170.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -76.09 0.68 17.9 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.29 -0.964 . . . . 74.14 112.768 167.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -137.8 -100.17 0.19 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 118.983 0.81 . . . . 63.63 112.187 -178.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -94.15 -1.62 53.93 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 113.458 0.91 . . . . 59.29 113.458 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 45.59 58.55 4.18 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.653 1.581 . . . . 85.45 111.903 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -115.59 165.62 12.81 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.592 -1.185 . . . . 70.89 109.835 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -99.92 127.58 46.09 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.956 -1.127 . . . . 67.17 107.956 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.92 147.21 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 108.542 -0.91 . . . . 54.67 108.542 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -94.62 113.18 24.96 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.104 -1.073 . . . . 68.61 108.104 170.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.15 144.7 31.58 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.377 0.608 . . . . 52.43 109.376 -170.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.5 tp -140.58 124.32 17.15 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.917 -0.772 . . . . 59.76 108.917 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.7 t -116.08 131.26 69.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.588 -0.893 . . . . 52.15 108.588 -171.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.6 p -142.98 153.78 43.36 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.355 -0.609 . . . . 61.65 109.355 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -80.1 135.32 36.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.682 -0.69 . . . . 57.09 109.588 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -118.94 92.57 3.84 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 104.125 -2.546 . . . . 80.9 104.125 163.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.67 -130.51 25.68 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 106.894 -2.482 . . . . 46.3 106.894 -171.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.93 21.6 12.41 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.396 -0.922 . . . . 82.67 112.37 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.3 124.95 56.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 108.089 -1.078 . . . . 43.78 108.089 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.9 tp -89.23 125.69 35.19 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 106.556 -1.646 . . . . 52.26 106.556 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.5 131.35 73.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 108.785 -0.82 . . . . 47.05 108.785 -172.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.6 t -126.6 127.54 45.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.323 -0.621 . . . . 56.23 109.323 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -101.72 128.61 54.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 107.902 -1.147 . . . . 52.79 107.902 169.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -109.83 87.25 2.47 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.827 -0.805 . . . . 55.97 108.827 -178.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.38 127.34 31.07 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.206 -0.452 . . . . 84.62 110.405 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.81 -156.95 15.9 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.898 -0.881 . . . . 58.53 110.898 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -64.1 -47.09 81.39 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.055 -0.658 . . . . 86.38 111.475 177.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -73.95 134.47 43.15 Favored 'General case' 0 CA--C 1.522 -0.113 0 O-C-N 121.891 -0.506 . . . . 67.05 110.094 -175.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -84.28 143.17 29.72 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.568 0.699 . . . . 102.67 111.055 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.7 t30 65.27 44.91 3.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.116 -0.947 . . . . 79.65 111.799 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -106.15 124.0 48.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.394 -0.965 . . . . 56.53 108.394 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.12 -172.99 39.84 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.493 -1.443 . . . . 46.84 109.493 -175.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -158.67 160.59 36.63 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.953 -0.758 . . . . 47.95 108.953 173.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -131.98 143.19 49.91 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.344 1.058 . . . . 79.7 109.447 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -140.61 130.06 23.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.335 -0.987 . . . . 70.0 108.335 -171.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 19.0 p90 -158.73 159.42 35.23 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.471 -0.892 . . . . 43.65 110.813 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 mp -100.62 130.75 49.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 114.837 -1.074 . . . . 62.64 108.443 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -137.01 100.75 4.37 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.313 -0.995 . . . . 77.22 108.313 169.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.3 -137.12 16.54 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.858 -0.897 . . . . 66.11 110.858 -173.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.22 14.36 12.84 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.756 0.822 . . . . 85.82 112.414 171.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -113.56 143.07 45.16 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.216 0.531 . . . . 71.99 109.816 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 tt -109.46 129.14 55.57 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.319 -1.363 . . . . 52.24 107.319 173.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -107.35 139.12 42.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 123.745 0.653 . . . . 60.3 109.421 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.1 tp -136.46 119.21 16.14 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.087 -1.449 . . . . 53.09 107.087 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -112.97 117.75 32.93 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.234 -1.395 . . . . 84.8 107.234 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.8 mt -104.58 133.75 48.91 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.422 -0.955 . . . . 49.24 108.422 178.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.9 p -128.56 142.52 51.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.329 -0.619 . . . . 62.98 109.329 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.8 t -153.85 116.3 4.38 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.431 -1.692 . . . . 63.68 106.431 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 60.56 -126.89 42.31 Favored Glycine 0 C--N 1.332 0.333 0 O-C-N 124.843 1.339 . . . . 65.33 109.93 -174.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -86.2 -9.71 56.05 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 113.451 0.908 . . . . 80.73 113.451 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -92.78 129.3 38.75 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.828 0.74 . . . . 66.48 111.225 -169.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.45 129.9 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.168 -1.049 . . . . 49.0 108.168 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.2 t -113.56 136.1 53.18 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.094 -1.076 . . . . 46.31 108.094 174.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -124.08 121.96 36.6 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 109.437 -0.579 . . . . 92.32 109.437 -175.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -119.68 140.04 51.29 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 123.61 0.764 . . . . 48.9 110.022 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.6 m -120.97 133.79 66.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 108.31 -0.996 . . . . 45.42 108.31 174.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -120.37 143.6 48.33 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.31 -0.859 . . . . 50.97 109.493 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 148.6 27.81 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.696 -0.853 . . . . 79.78 108.696 170.751 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -71.41 127.27 32.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.605 -0.887 . . . . 65.99 108.605 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 86.19 110.674 -176.84 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 112.248 0.462 . . . . 74.05 112.248 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -96.87 -3.7 41.52 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 114.139 1.163 . . . . 69.21 114.139 -174.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -92.2 121.02 33.33 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.682 -1.229 . . . . 73.05 107.682 -175.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -113.79 19.12 16.93 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 122.773 0.429 . . . . 58.84 111.555 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -57.93 134.71 56.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.055 0.455 . . . . 67.39 111.569 177.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.6 -179.82 22.39 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 119.069 -1.539 . . . . 50.47 113.727 169.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.2 m -101.31 127.52 47.88 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.088 -1.449 . . . . 57.04 107.088 171.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -124.48 133.47 53.33 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.577 -0.897 . . . . 52.08 108.577 -174.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -116.84 137.12 52.42 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 119.516 -0.873 . . . . 94.82 110.293 175.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 41.4 ttm -67.28 131.06 44.99 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.781 -1.099 . . . . 53.57 109.948 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -97.19 -36.98 10.27 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 125.554 1.542 . . . . 96.55 111.947 171.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.5 t -150.41 144.44 25.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.402 -0.962 . . . . 58.95 108.402 -163.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -156.07 91.44 1.27 Allowed 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 106.501 -1.666 . . . . 58.78 106.501 -172.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -103.83 137.66 41.52 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 113.615 0.968 . . . . 84.12 113.615 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.7 t30 62.69 30.06 16.84 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.98 1.312 . . . . 55.13 111.897 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.16 -28.93 69.48 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.618 -0.833 . . . . 60.23 111.653 172.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.56 -44.74 63.98 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.514 -0.875 . . . . 95.68 111.575 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.15 -43.67 98.8 Favored Glycine 0 C--O 1.242 0.635 0 C-N-CA 119.772 -1.204 . . . . 54.53 111.929 178.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -56.18 -46.58 79.31 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.936 -0.743 . . . . 52.34 110.724 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . 0.435 ' HE1' ' HA ' ' A' ' 30' ' ' ARG . 82.6 mtp -69.23 -39.46 78.52 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.278 -1.369 . . . . 72.66 112.066 -178.057 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -59.22 -38.75 80.72 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.92 -0.712 . . . . 80.84 110.676 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.26 67.55 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.206 0.447 . . . . 55.74 112.206 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.8 mt -94.01 5.31 52.1 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 112.812 0.671 . . . . 62.39 112.812 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.95 31.81 13.52 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 123.444 0.698 . . . . 73.48 112.739 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 mm -69.6 135.43 28.29 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 N-CA-C 109.016 -0.735 . . . . 64.6 109.016 166.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -66.76 155.31 38.49 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 122.469 1.128 . . . . 95.86 112.302 -176.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -53.52 -37.79 63.13 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.398 -1.274 . . . . 84.92 112.606 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 m -75.06 -37.81 61.53 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.638 -0.825 . . . . 105.41 111.628 -172.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.3 m -65.98 -39.68 90.55 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.463 -0.495 . . . . 80.93 111.953 171.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' HA ' ' HE1' ' A' ' 20' ' ' MET . 72.8 mtm-85 -62.92 -40.15 96.73 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 120.308 -0.557 . . . . 69.51 111.223 -178.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -61.04 -35.72 77.65 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.649 0.261 . . . . 83.02 111.279 -177.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.3 mt -81.31 -41.4 18.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 122.115 -0.365 . . . . 67.84 111.129 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.06 80.89 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.837 0.68 . . . . 60.05 112.837 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -71.67 -18.9 20.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 119.462 -0.895 . . . . 65.76 112.48 -171.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -97.83 21.6 10.31 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.263 0.938 . . . . 94.26 113.239 176.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.3 m -103.84 152.13 22.27 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 123.482 0.713 . . . . 73.11 110.23 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 m -105.54 158.68 16.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.32 -0.992 . . . . 79.67 108.32 166.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -122.83 142.49 50.7 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.407 -0.59 . . . . 87.52 109.407 -178.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.8 m -114.49 138.43 50.61 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.915 -1.143 . . . . 77.61 107.915 167.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -127.55 118.83 24.71 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 107.296 -1.372 . . . . 79.98 107.296 -174.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -107.71 113.95 45.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 106.85 -1.537 . . . . 55.79 106.85 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.0 mt -111.03 118.96 58.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.256 -1.016 . . . . 57.36 108.256 -174.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -109.78 122.52 47.7 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.409 -0.96 . . . . 97.62 108.409 168.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -132.63 134.01 44.33 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.185 -1.043 . . . . 64.17 108.185 -173.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -135.43 106.31 6.61 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.637 -0.875 . . . . 99.37 108.637 172.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.12 -111.04 3.82 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 109.398 -1.481 . . . . 72.14 109.398 -174.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -114.76 10.79 16.64 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 112.236 0.458 . . . . 78.19 112.236 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -95.18 127.34 41.15 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.603 -0.888 . . . . 69.86 108.603 172.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -119.25 137.73 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.041 0.537 . . . . 59.9 110.079 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -125.54 126.8 45.4 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.273 -1.38 . . . . 93.31 107.273 166.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -128.91 126.13 39.05 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.131 0.572 . . . . 87.32 110.396 -175.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -120.53 115.13 22.83 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.991 -0.744 . . . . 99.87 108.991 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -107.2 140.24 40.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.321 -0.622 . . . . 72.03 109.321 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.3 p -132.55 137.08 46.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.646 -0.872 . . . . 76.71 108.646 171.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.4 m -99.02 142.21 30.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 78.55 109.911 174.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 p -134.36 140.6 46.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.819 -0.628 . . . . 78.06 109.724 -175.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -126.33 134.03 51.21 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.057 -1.09 . . . . 77.85 108.057 168.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -97.55 109.38 22.15 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.603 -1.258 . . . . 101.7 107.603 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -63.18 165.83 6.81 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.725 0.774 . . . . 84.13 109.362 173.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -75.65 154.99 36.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 117.83 -1.548 . . . . 113.42 110.261 -179.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.89 146.93 45.81 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.002 -0.999 . . . . 95.45 110.716 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.1 p -117.42 125.49 74.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.637 -1.246 . . . . 70.55 107.637 168.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.06 133.09 55.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.721 -1.214 . . . . 86.72 107.721 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -151.58 167.07 29.24 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.601 -0.889 . . . . 56.38 108.601 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.8 m -122.72 132.67 54.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.919 -1.141 . . . . 55.59 107.919 173.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.58 127.75 16.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 119.307 -0.957 . . . . 57.69 109.06 178.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.51 -16.86 59.26 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 115.797 1.079 . . . . 67.02 115.797 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.8 t -104.89 110.72 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 118.79 1.295 . . . . 52.89 108.287 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' OE2' ' HD3' ' A' ' 83' ' ' LYS . 53.0 tt0 -57.92 135.46 56.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.084 0.468 . . . . 88.94 111.337 172.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -136.01 157.39 46.96 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.711 0.767 . . . . 55.64 109.62 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -92.75 130.91 38.22 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.154 -0.93 . . . . 67.83 109.298 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -132.26 136.22 46.8 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.057 -1.46 . . . . 86.29 107.057 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -112.38 119.34 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.139 -1.43 . . . . 65.47 107.139 171.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.4 p -87.85 59.67 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 122.34 1.067 . . . . 62.84 110.336 -171.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -76.95 -10.01 59.08 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 117.298 -1.761 . . . . 93.02 113.088 -170.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -76.09 0.68 17.9 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.29 -0.964 . . . . 74.14 112.768 167.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -137.8 -100.17 0.19 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 118.983 0.81 . . . . 63.63 112.187 -178.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -94.15 -1.62 53.93 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 113.458 0.91 . . . . 59.29 113.458 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 45.59 58.55 4.18 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.653 1.581 . . . . 85.45 111.903 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -115.59 165.62 12.81 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.592 -1.185 . . . . 70.89 109.835 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -99.92 127.58 46.09 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.956 -1.127 . . . . 67.17 107.956 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.92 147.21 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 108.542 -0.91 . . . . 54.67 108.542 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . 0.419 ' HD3' ' OE2' ' A' ' 69' ' ' GLU . 61.8 mttm -94.62 113.18 24.96 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.104 -1.073 . . . . 68.61 108.104 170.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.15 144.7 31.58 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.377 0.608 . . . . 52.43 109.376 -170.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.5 tp -140.58 124.32 17.15 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.917 -0.772 . . . . 59.76 108.917 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 95' ' ' CYS . 77.7 t -116.08 131.26 69.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.588 -0.893 . . . . 52.15 108.588 -171.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.6 p -142.98 153.78 43.36 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.355 -0.609 . . . . 61.65 109.355 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -80.1 135.32 36.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.682 -0.69 . . . . 57.09 109.588 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -118.94 92.57 3.84 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 104.125 -2.546 . . . . 80.9 104.125 163.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.67 -130.51 25.68 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 106.894 -2.482 . . . . 46.3 106.894 -171.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.93 21.6 12.41 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.396 -0.922 . . . . 82.67 112.37 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.3 124.95 56.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 108.089 -1.078 . . . . 43.78 108.089 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.9 tp -89.23 125.69 35.19 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 106.556 -1.646 . . . . 52.26 106.556 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.5 131.35 73.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 108.785 -0.82 . . . . 47.05 108.785 -172.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . 0.419 ' HB2' HG22 ' A' ' 86' ' ' VAL . 38.6 t -126.6 127.54 45.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.323 -0.621 . . . . 56.23 109.323 -179.398 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -101.72 128.61 54.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 107.902 -1.147 . . . . 52.79 107.902 169.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -109.83 87.25 2.47 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.827 -0.805 . . . . 55.97 108.827 -178.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.38 127.34 31.07 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.206 -0.452 . . . . 84.62 110.405 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.81 -156.95 15.9 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.898 -0.881 . . . . 58.53 110.898 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -64.1 -47.09 81.39 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.055 -0.658 . . . . 86.38 111.475 177.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -73.95 134.47 43.15 Favored 'General case' 0 CA--C 1.522 -0.113 0 O-C-N 121.891 -0.506 . . . . 67.05 110.094 -175.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' HA ' ' OE2' ' A' ' 102' ' ' GLU . 8.2 mm-40 -84.28 143.17 29.72 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.568 0.699 . . . . 102.67 111.055 -179.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.7 t30 65.27 44.91 3.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.116 -0.947 . . . . 79.65 111.799 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -106.15 124.0 48.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.394 -0.965 . . . . 56.53 108.394 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.12 -172.99 39.84 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.493 -1.443 . . . . 46.84 109.493 -175.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TRP . . . . . 0.424 ' HB3' HD23 ' A' ' 119' ' ' LEU . 27.7 p-90 -158.67 160.59 36.63 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.953 -0.758 . . . . 47.95 108.953 173.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -131.98 143.19 49.91 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.344 1.058 . . . . 79.7 109.447 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -140.61 130.06 23.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.335 -0.987 . . . . 70.0 108.335 -171.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 19.0 p90 -158.73 159.42 35.23 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.471 -0.892 . . . . 43.65 110.813 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 mp -100.62 130.75 49.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 114.837 -1.074 . . . . 62.64 108.443 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -137.01 100.75 4.37 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.313 -0.995 . . . . 77.22 108.313 169.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.3 -137.12 16.54 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.858 -0.897 . . . . 66.11 110.858 -173.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.22 14.36 12.84 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.756 0.822 . . . . 85.82 112.414 171.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -113.56 143.07 45.16 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.216 0.531 . . . . 71.99 109.816 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 tt -109.46 129.14 55.57 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.319 -1.363 . . . . 52.24 107.319 173.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -107.35 139.12 42.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 123.745 0.653 . . . . 60.3 109.421 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.1 tp -136.46 119.21 16.14 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.087 -1.449 . . . . 53.09 107.087 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -112.97 117.75 32.93 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.234 -1.395 . . . . 84.8 107.234 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 106' ' ' TRP . 13.8 mt -104.58 133.75 48.91 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.422 -0.955 . . . . 49.24 108.422 178.723 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.9 p -128.56 142.52 51.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.329 -0.619 . . . . 62.98 109.329 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.8 t -153.85 116.3 4.38 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.431 -1.692 . . . . 63.68 106.431 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 60.56 -126.89 42.31 Favored Glycine 0 C--N 1.332 0.333 0 O-C-N 124.843 1.339 . . . . 65.33 109.93 -174.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . 0.425 ' OD1' ' HG2' ' A' ' 124' ' ' GLN . 43.0 p30 -86.2 -9.71 56.05 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 113.451 0.908 . . . . 80.73 113.451 177.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . 0.425 ' HG2' ' OD1' ' A' ' 123' ' ' ASP . 99.2 mm-40 -92.78 129.3 38.75 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.828 0.74 . . . . 66.48 111.225 -169.892 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.45 129.9 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.168 -1.049 . . . . 49.0 108.168 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.2 t -113.56 136.1 53.18 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.094 -1.076 . . . . 46.31 108.094 174.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -124.08 121.96 36.6 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 109.437 -0.579 . . . . 92.32 109.437 -175.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -119.68 140.04 51.29 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 123.61 0.764 . . . . 48.9 110.022 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.6 m -120.97 133.79 66.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 108.31 -0.996 . . . . 46.19 108.31 174.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -120.37 143.6 48.33 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.31 -0.859 . . . . 50.97 109.493 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 148.6 27.81 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.696 -0.853 . . . . 79.78 108.696 170.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -71.41 127.27 32.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.605 -0.887 . . . . 65.99 108.605 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 86.19 110.674 -176.84 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 112.248 0.462 . . . . 74.05 112.248 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -96.87 -3.7 41.52 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 114.139 1.163 . . . . 69.21 114.139 -174.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -92.2 121.02 33.33 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.682 -1.229 . . . . 73.05 107.682 -175.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -113.79 19.12 16.93 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 122.773 0.429 . . . . 58.84 111.555 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -57.93 134.71 56.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.055 0.455 . . . . 67.39 111.569 177.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.6 -179.82 22.39 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 119.069 -1.539 . . . . 50.47 113.727 169.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.2 m -101.31 127.52 47.88 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.088 -1.449 . . . . 57.04 107.088 171.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -124.48 133.47 53.33 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.577 -0.897 . . . . 52.08 108.577 -174.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -116.84 137.12 52.42 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 119.516 -0.873 . . . . 94.82 110.293 175.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 41.4 ttm -67.28 131.06 44.99 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.781 -1.099 . . . . 53.57 109.948 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -97.19 -36.98 10.27 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 125.554 1.542 . . . . 96.55 111.947 171.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.5 t -150.41 144.44 25.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.402 -0.962 . . . . 58.95 108.402 -163.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -156.07 91.44 1.27 Allowed 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 106.501 -1.666 . . . . 58.78 106.501 -172.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -103.83 137.66 41.52 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 113.615 0.968 . . . . 84.12 113.615 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.7 t30 62.69 30.06 16.84 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.98 1.312 . . . . 55.13 111.897 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.16 -28.93 69.48 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.618 -0.833 . . . . 60.23 111.653 172.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.56 -44.74 63.98 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.514 -0.875 . . . . 95.68 111.575 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.15 -43.67 98.8 Favored Glycine 0 C--O 1.242 0.635 0 C-N-CA 119.772 -1.204 . . . . 54.53 111.929 178.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -56.18 -46.58 79.31 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.936 -0.743 . . . . 52.34 110.724 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . 0.435 ' HE1' ' HA ' ' A' ' 30' ' ' ARG . 82.6 mtp -69.23 -39.46 78.52 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.278 -1.369 . . . . 72.66 112.066 -178.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -59.22 -38.75 80.72 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.92 -0.712 . . . . 80.84 110.676 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.26 67.55 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.206 0.447 . . . . 55.74 112.206 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.8 mt -94.01 5.31 52.1 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 112.812 0.671 . . . . 62.39 112.812 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.95 31.81 13.52 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 123.444 0.698 . . . . 73.48 112.739 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 mm -69.6 135.43 28.29 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 N-CA-C 109.016 -0.735 . . . . 64.6 109.016 166.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -66.76 155.31 38.49 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 122.469 1.128 . . . . 95.86 112.302 -176.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -53.52 -37.79 63.13 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.398 -1.274 . . . . 84.92 112.606 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 m -75.06 -37.81 61.53 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.638 -0.825 . . . . 105.41 111.628 -172.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.3 m -65.98 -39.68 90.55 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.463 -0.495 . . . . 80.93 111.953 171.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' HA ' ' HE1' ' A' ' 20' ' ' MET . 72.8 mtm-85 -62.92 -40.15 96.73 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 120.308 -0.557 . . . . 69.51 111.223 -178.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -61.04 -35.72 77.65 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.649 0.261 . . . . 83.02 111.279 -177.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.3 mt -81.31 -41.4 18.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 122.115 -0.365 . . . . 67.84 111.129 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.06 80.89 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.837 0.68 . . . . 60.05 112.837 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -71.67 -18.9 20.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 119.462 -0.895 . . . . 65.76 112.48 -171.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -97.83 21.6 10.31 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.263 0.938 . . . . 94.26 113.239 176.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.3 m -103.84 152.13 22.27 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 123.482 0.713 . . . . 73.11 110.23 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 m -105.54 158.68 16.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.32 -0.992 . . . . 79.67 108.32 166.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -122.83 142.49 50.7 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.407 -0.59 . . . . 87.52 109.407 -178.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.8 m -114.49 138.43 50.61 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.915 -1.143 . . . . 77.61 107.915 167.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -127.55 118.83 24.71 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 107.296 -1.372 . . . . 79.98 107.296 -174.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -107.71 113.95 45.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 106.85 -1.537 . . . . 55.79 106.85 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.0 mt -111.03 118.96 58.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.256 -1.016 . . . . 57.36 108.256 -174.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -109.78 122.52 47.7 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.409 -0.96 . . . . 97.62 108.409 168.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -132.63 134.01 44.33 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.185 -1.043 . . . . 64.17 108.185 -173.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -135.43 106.31 6.61 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.637 -0.875 . . . . 99.37 108.637 172.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.12 -111.04 3.82 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 109.398 -1.481 . . . . 72.14 109.398 -174.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -114.76 10.79 16.64 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 112.236 0.458 . . . . 78.19 112.236 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -95.18 127.34 41.15 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.603 -0.888 . . . . 69.86 108.603 172.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -119.25 137.73 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.041 0.537 . . . . 59.9 110.079 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -125.54 126.8 45.4 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.273 -1.38 . . . . 93.31 107.273 166.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -128.91 126.13 39.05 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.131 0.572 . . . . 87.32 110.396 -175.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -120.53 115.13 22.83 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.991 -0.744 . . . . 99.87 108.991 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -107.2 140.24 40.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.321 -0.622 . . . . 72.03 109.321 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.3 p -132.55 137.08 46.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.646 -0.872 . . . . 76.71 108.646 171.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.4 m -99.02 142.21 30.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 78.55 109.911 174.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 p -134.36 140.6 46.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.819 -0.628 . . . . 78.06 109.724 -175.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -126.33 134.03 51.21 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.057 -1.09 . . . . 77.85 108.057 168.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -97.55 109.38 22.15 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.603 -1.258 . . . . 101.7 107.603 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -63.18 165.83 6.81 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.725 0.774 . . . . 84.13 109.362 173.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -75.65 154.99 36.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 117.83 -1.548 . . . . 113.42 110.261 -179.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.89 146.93 45.81 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.002 -0.999 . . . . 95.45 110.716 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.1 p -117.42 125.49 74.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.637 -1.246 . . . . 70.55 107.637 168.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.06 133.09 55.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.721 -1.214 . . . . 86.72 107.721 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -151.58 167.07 29.24 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.601 -0.889 . . . . 56.38 108.601 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.8 m -122.72 132.67 54.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.919 -1.141 . . . . 55.59 107.919 173.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.58 127.75 16.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 119.307 -0.957 . . . . 57.69 109.06 178.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.51 -16.86 59.26 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 115.797 1.079 . . . . 67.02 115.797 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.8 t -104.89 110.72 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 118.79 1.295 . . . . 52.89 108.287 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' OE2' ' HD3' ' A' ' 83' ' ' LYS . 53.0 tt0 -57.92 135.46 56.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.084 0.468 . . . . 88.94 111.337 172.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -136.01 157.39 46.96 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.711 0.767 . . . . 55.64 109.62 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -92.75 130.91 38.22 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.154 -0.93 . . . . 67.83 109.298 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -132.26 136.22 46.8 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.057 -1.46 . . . . 86.29 107.057 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -112.38 119.34 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.139 -1.43 . . . . 65.47 107.139 171.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.4 p -87.85 59.67 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 122.34 1.067 . . . . 62.84 110.336 -171.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -76.95 -10.01 59.08 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 117.298 -1.761 . . . . 93.02 113.088 -170.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -76.09 0.68 17.9 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.29 -0.964 . . . . 74.14 112.768 167.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -137.8 -100.17 0.19 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 118.983 0.81 . . . . 63.63 112.187 -178.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -94.15 -1.62 53.93 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 113.458 0.91 . . . . 59.29 113.458 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 45.59 58.55 4.18 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.653 1.581 . . . . 85.45 111.903 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -115.59 165.62 12.81 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.592 -1.185 . . . . 70.89 109.835 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -99.92 127.58 46.09 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.956 -1.127 . . . . 67.17 107.956 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.92 147.21 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 108.542 -0.91 . . . . 54.67 108.542 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.419 ' HD3' ' OE2' ' A' ' 69' ' ' GLU . 61.8 mttm -94.62 113.18 24.96 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.104 -1.073 . . . . 68.61 108.104 170.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.15 144.7 31.58 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.377 0.608 . . . . 52.43 109.376 -170.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.5 tp -140.58 124.32 17.15 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.917 -0.772 . . . . 59.76 108.917 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 95' ' ' CYS . 77.7 t -116.08 131.26 69.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.588 -0.893 . . . . 52.15 108.588 -171.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.6 p -142.98 153.78 43.36 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.355 -0.609 . . . . 61.65 109.355 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -80.1 135.32 36.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.682 -0.69 . . . . 57.09 109.588 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -118.94 92.57 3.84 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 104.125 -2.546 . . . . 80.9 104.125 163.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.67 -130.51 25.68 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 106.894 -2.482 . . . . 46.3 106.894 -171.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.93 21.6 12.41 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.396 -0.922 . . . . 82.67 112.37 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.3 124.95 56.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 108.089 -1.078 . . . . 43.78 108.089 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.9 tp -89.23 125.69 35.19 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 106.556 -1.646 . . . . 52.26 106.556 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.5 131.35 73.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 108.785 -0.82 . . . . 47.05 108.785 -172.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.419 ' HB2' HG22 ' A' ' 86' ' ' VAL . 38.6 t -126.6 127.54 45.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.323 -0.621 . . . . 56.23 109.323 -179.398 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -101.72 128.61 54.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 107.902 -1.147 . . . . 52.79 107.902 169.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -109.83 87.25 2.47 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.827 -0.805 . . . . 55.97 108.827 -178.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.38 127.34 31.07 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.206 -0.452 . . . . 84.62 110.405 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.81 -156.95 15.9 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.898 -0.881 . . . . 58.53 110.898 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -64.1 -47.09 81.39 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.055 -0.658 . . . . 86.38 111.475 177.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -73.95 134.47 43.15 Favored 'General case' 0 CA--C 1.522 -0.113 0 O-C-N 121.891 -0.506 . . . . 67.05 110.094 -175.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' HA ' ' OE2' ' A' ' 102' ' ' GLU . 8.2 mm-40 -84.28 143.17 29.72 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.568 0.699 . . . . 102.67 111.055 -179.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.7 t30 65.27 44.91 3.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.116 -0.947 . . . . 79.65 111.799 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -106.15 124.0 48.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.394 -0.965 . . . . 56.53 108.394 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.12 -172.99 39.84 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.493 -1.443 . . . . 46.84 109.493 -175.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.424 ' HB3' HD23 ' A' ' 119' ' ' LEU . 27.7 p-90 -158.67 160.59 36.63 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.953 -0.758 . . . . 47.95 108.953 173.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -131.98 143.19 49.91 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.344 1.058 . . . . 79.7 109.447 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -140.61 130.06 23.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.335 -0.987 . . . . 70.0 108.335 -171.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 19.0 p90 -158.73 159.42 35.23 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.471 -0.892 . . . . 43.65 110.813 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 mp -100.62 130.75 49.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 114.837 -1.074 . . . . 62.64 108.443 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -137.01 100.75 4.37 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.313 -0.995 . . . . 77.22 108.313 169.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.3 -137.12 16.54 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.858 -0.897 . . . . 66.11 110.858 -173.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.22 14.36 12.84 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.756 0.822 . . . . 85.82 112.414 171.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -113.56 143.07 45.16 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.216 0.531 . . . . 71.99 109.816 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 tt -109.46 129.14 55.57 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.319 -1.363 . . . . 52.24 107.319 173.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -107.35 139.12 42.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 123.745 0.653 . . . . 60.3 109.421 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.1 tp -136.46 119.21 16.14 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.087 -1.449 . . . . 53.09 107.087 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -112.97 117.75 32.93 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.234 -1.395 . . . . 84.8 107.234 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 106' ' ' TRP . 13.8 mt -104.58 133.75 48.91 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.422 -0.955 . . . . 49.24 108.422 178.723 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.9 p -128.56 142.52 51.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.329 -0.619 . . . . 62.98 109.329 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.8 t -153.85 116.3 4.38 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.431 -1.692 . . . . 63.68 106.431 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 60.56 -126.89 42.31 Favored Glycine 0 C--N 1.332 0.333 0 O-C-N 124.843 1.339 . . . . 65.33 109.93 -174.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.425 ' OD1' ' HG2' ' A' ' 124' ' ' GLN . 43.0 p30 -86.2 -9.71 56.05 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 113.451 0.908 . . . . 80.73 113.451 177.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.425 ' HG2' ' OD1' ' A' ' 123' ' ' ASP . 99.2 mm-40 -92.78 129.3 38.75 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.828 0.74 . . . . 66.48 111.225 -169.892 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.45 129.9 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.168 -1.049 . . . . 49.0 108.168 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.2 t -113.56 136.1 53.18 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.094 -1.076 . . . . 46.31 108.094 174.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -124.08 121.96 36.6 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 109.437 -0.579 . . . . 92.32 109.437 -175.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -119.68 140.04 51.29 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 123.61 0.764 . . . . 48.9 110.022 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.6 m -120.97 133.79 66.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 108.31 -0.996 . . . . 46.19 108.31 174.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -120.37 143.6 48.33 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.31 -0.859 . . . . 50.97 109.493 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 148.6 27.81 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.696 -0.853 . . . . 79.78 108.696 170.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -71.41 127.27 32.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.605 -0.887 . . . . 65.99 108.605 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 86.19 110.674 -176.84 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_