data_6nvo_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 6nvo _Structure_validation_residue.Date_analyzed 2019-03-22 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 ' 2' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.307 0.099 . . . . 68.28 110.951 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -131.05 159.39 37.69 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 122.106 0.955 . . . . 66.49 112.743 -162.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -114.77 110.98 46.04 Favored Pre-proline 0 C--O 1.249 1.057 0 CA-C-N 114.327 -1.306 . . . . 62.35 108.471 177.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.68 141.39 27.61 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 CA-C-N 119.532 0.868 . . . . 50.08 110.665 178.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 pt -135.06 157.4 40.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.737 0.779 . . . . 44.85 108.93 172.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -103.11 133.82 47.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.729 -1.211 . . . . 67.52 107.729 167.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -151.42 114.7 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.472 -1.307 . . . . 42.97 107.472 -175.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 53.56 42.92 31.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.997 0.903 . . . . 51.45 110.494 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.06 8.81 87.31 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 115.285 0.874 . . . . 41.4 115.285 173.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -121.62 144.9 48.49 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 118.369 1.085 . . . . 43.34 110.281 -177.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.47 119.85 27.17 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 107.365 -1.346 . . . . 39.92 107.365 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.2 mt -124.44 137.6 54.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.567 -0.901 . . . . 38.07 108.567 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -107.38 114.26 28.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.064 -1.087 . . . . 47.01 108.064 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.1 mt -80.59 125.23 29.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.158 -1.053 . . . . 43.57 108.158 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.4 mt -100.33 136.65 39.89 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.068 0.547 . . . . 41.58 110.739 -175.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.52 -31.74 62.32 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.087 -0.506 . . . . 47.11 112.083 -175.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . 0.676 ' OD1' ' O ' ' A' ' 402' ' ' HOH . 22.6 t0 -88.4 31.74 0.81 Allowed 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.348 0.87 . . . . 50.05 113.348 -178.673 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt 72.4 48.25 0.24 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.67 0.668 . . . . 40.89 112.279 166.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.62 158.67 44.29 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.036 -1.098 . . . . 35.53 108.036 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.1 mt -117.17 133.85 62.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 107.479 -1.304 . . . . 34.05 107.479 171.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -108.53 134.47 51.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.342 -0.984 . . . . 43.53 108.342 170.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -117.99 93.35 44.24 Favored Pre-proline 0 C--O 1.241 0.618 0 N-CA-C 105.016 -2.216 . . . . 38.11 105.016 -173.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.65 -46.7 27.94 Favored 'Trans proline' 0 N--CA 1.481 0.737 0 N-CA-C 114.309 0.85 . . . . 39.17 114.309 -170.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -27.19 66.9 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 111.937 0.347 . . . . 44.99 111.937 -175.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -102.28 -1.88 30.2 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 122.677 0.391 . . . . 42.53 111.87 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 49.02 42.6 21.14 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 122.222 1.011 . . . . 61.02 110.378 -177.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.38 135.39 54.36 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.057 -0.974 . . . . 37.84 110.661 -170.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.6 tp -104.5 127.07 52.13 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.639 0.776 . . . . 33.69 109.16 169.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -114.34 131.7 56.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.644 1.178 . . . . 38.76 108.81 -177.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.41 170.76 7.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 107.066 -1.457 . . . . 30.72 107.066 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.4 154.27 37.45 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.582 -0.736 . . . . 31.04 109.19 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 52.46 59.68 4.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.395 -1.275 . . . . 34.22 110.097 169.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.4 t -72.64 -42.12 62.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 113.968 -1.469 . . . . 39.38 110.171 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 50.54 58.6 5.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.074 0.94 . . . . 46.8 111.818 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 mm -62.22 129.26 25.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 115.351 -0.841 . . . . 45.45 108.927 164.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.84 61.44 Favored Glycine 0 C--O 1.243 0.687 0 CA-C-O 119.413 -0.66 . . . . 56.22 114.159 -174.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . 0.938 ' NZ ' ' O ' ' A' ' 401' ' ' HOH . 16.7 ttmm -89.21 70.05 8.27 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 122.934 1.349 . . . . 59.2 107.794 163.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.27 141.47 48.49 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 113.939 -1.482 . . . . 61.3 107.635 169.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.06 178.85 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.963 0.887 . . . . 68.69 108.815 168.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -118.5 27.4 8.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.249 -0.887 . . . . 65.14 112.693 -164.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.478 0.95 0 CA-C-N 119.296 0.953 . . . . 61.22 113.335 -176.668 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.455 0 N-CA-C 116.03 1.172 . . . . 55.21 116.03 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -82.2 155.04 25.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.381 0.61 . . . . 59.27 110.742 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.3 m -45.68 -49.92 14.09 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.378 -0.828 . . . . 53.11 111.09 171.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -62.51 -44.46 96.31 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 119.975 -0.69 . . . . 66.83 110.502 -177.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.06 -37.14 81.6 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.848 -0.741 . . . . 47.53 110.789 -179.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.8 m -68.11 -46.67 70.25 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.271 -0.572 . . . . 48.97 110.708 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.99 -44.49 95.88 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.223 -0.591 . . . . 45.2 111.284 176.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.62 72.72 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 118.86 -1.136 . . . . 44.75 111.65 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ARG . . . . . 0.461 ' NH2' ' O ' ' A' ' 188' ' ' PHE . 12.0 mtm180 -64.3 -37.03 86.03 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.567 0.222 . . . . 48.57 111.237 175.49 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.35 -42.17 93.09 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 121.906 -0.497 . . . . 44.49 112.006 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . 0.504 ' OD1' ' NE2' ' A' ' 101' ' ' HIS . 76.6 m-20 -58.19 -32.63 68.44 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.837 0.31 . . . . 46.91 111.837 178.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.81 -44.32 70.26 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.582 -0.447 . . . . 78.73 111.313 178.451 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.9 mt -64.99 -41.34 95.49 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.258 -0.577 . . . . 45.58 111.145 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.7 mt -67.99 -30.54 69.83 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.131 0.419 . . . . 47.05 112.131 -178.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.66 -28.4 51.18 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.422 -0.911 . . . . 48.55 111.575 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -74.73 -23.18 58.53 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.576 0.954 . . . . 66.05 113.576 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -138.67 144.98 39.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.754 0.706 . . . . 47.08 109.988 -170.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 409' ' ' HOH . 53.6 t0 -66.56 98.37 0.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.737 -0.838 . . . . 53.3 108.737 174.655 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.3 m -114.01 103.13 10.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.222 -1.029 . . . . 42.64 108.222 -175.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -76.13 -28.51 57.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.487 -0.779 . . . . 63.84 110.69 169.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 412' ' ' HOH . 28.1 pt20 -144.13 152.4 40.87 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.888 0.851 . . . . 43.48 111.296 -178.476 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 tp -120.89 130.11 53.77 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 107.301 -1.37 . . . . 40.62 107.301 174.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.3 mt -119.64 119.47 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.75 -1.204 . . . . 36.59 107.75 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 mt -101.88 113.73 39.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 107.663 -1.236 . . . . 34.47 107.663 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -80.96 55.02 2.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 122.24 1.019 . . . . 34.36 110.648 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.34 152.53 28.64 Favored Glycine 0 C--O 1.236 0.274 0 C-N-CA 118.556 -1.783 . . . . 35.83 113.538 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 59.57 56.08 3.8 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.479 1.112 . . . . 46.56 112.21 170.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -72.77 -64.8 0.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.303 -0.862 . . . . 47.7 111.885 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.4 mt -93.26 140.51 29.46 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.23 -0.656 . . . . 56.81 109.23 175.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . 0.42 ' CE1' ' CE1' ' A' ' 113' ' ' HIS . 67.7 t60 -68.99 -63.44 1.06 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.063 -1.055 . . . . 59.77 112.096 -172.11 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.77 -157.73 0.8 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 118.135 -1.426 . . . . 79.93 108.798 -171.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -72.42 -28.76 63.17 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.283 -0.567 . . . . 88.91 111.174 -178.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -77.59 12.67 1.53 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.049 0.939 . . . . 94.21 112.319 169.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.49 -7.99 15.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.521 0.563 . . . . 77.18 112.521 165.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.7 mtm-85 -86.51 41.07 0.92 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.744 0.702 . . . . 90.66 111.181 163.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.1 144.75 39.26 Favored Pre-proline 0 C--O 1.237 0.403 1 C-N-CA 131.792 4.037 . . . . 71.89 110.501 -174.956 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -56.29 -56.52 2.02 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 O-C-N 122.417 0.693 . . . . 70.45 110.418 -171.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.89 98.26 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.367 0.417 . . . . 54.61 111.74 -178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.4 m -69.31 -46.91 66.0 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.534 -0.466 . . . . 54.43 111.576 -169.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.8 mt -66.21 -28.93 69.12 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 118.862 -1.135 . . . . 61.63 111.025 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.93 82.43 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.9 0.381 . . . . 46.28 111.657 175.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LYS . . . . . 0.696 ' NZ ' ' O ' ' A' ' 405' ' ' HOH . 35.0 mttt -68.6 -33.43 74.04 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.139 -0.624 . . . . 53.23 111.696 177.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.04 -44.03 75.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 120.339 -0.544 . . . . 44.11 109.773 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.19 -47.87 68.53 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.872 -0.331 . . . . 71.75 110.335 172.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -54.76 -53.26 57.37 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.963 -0.695 . . . . 44.55 110.334 178.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 65.6 t90 -58.24 -43.02 87.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.174 -0.466 . . . . 46.95 111.921 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' NH2' ' O ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -66.4 -43.21 86.46 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 119.23 -0.988 . . . . 55.88 111.177 -173.673 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -71.35 -8.6 54.84 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.321 0.86 . . . . 55.01 113.321 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -82.93 -8.88 59.53 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.542 1.065 . . . . 43.28 112.327 166.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HIS . . . . . 0.504 ' NE2' ' OD1' ' A' ' 62' ' ' ASP . 57.8 m-70 -131.05 52.96 2.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.474 1.11 . . . . 47.24 109.837 175.808 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -55.91 -33.09 64.35 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.825 -0.625 . . . . 57.42 111.86 -171.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.99 -18.8 28.23 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 113.709 1.003 . . . . 66.84 113.709 -175.982 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' NH2' ' A' ' 98' ' ' ARG . 36.7 tp -60.21 128.71 38.11 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 118.439 0.563 . . . . 48.5 109.75 173.805 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -80.02 131.02 35.7 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.873 -0.788 . . . . 58.44 108.873 165.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.5 t -117.7 114.1 44.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 107.362 -1.348 . . . . 39.22 107.362 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.9 t -108.95 123.25 64.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.834 -0.802 . . . . 37.95 108.834 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.1 tp -109.34 116.22 31.45 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.504 -0.554 . . . . 41.45 109.504 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.7 mt -85.49 125.59 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 107.863 -1.162 . . . . 41.6 107.863 169.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 -74.68 129.98 38.69 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.95 -0.3 . . . . 71.14 111.652 -163.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -107.62 179.3 21.96 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-O 122.248 0.915 . . . . 63.45 112.213 173.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -64.53 -20.56 66.3 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.827 -0.749 . . . . 65.93 112.156 -176.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HIS . . . . . 0.42 ' CE1' ' CE1' ' A' ' 81' ' ' HIS . 13.5 m-70 -87.21 -33.76 19.22 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.289 0.477 . . . . 63.97 112.289 173.453 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -64.92 -38.95 92.67 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.513 -0.475 . . . . 62.86 111.283 171.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ARG . . . . . 0.605 ' NH1' ' O ' ' A' ' 408' ' ' HOH . 1.7 mtp180 -63.63 -50.37 69.6 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.046 0.451 . . . . 74.2 111.18 174.418 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -54.94 -60.4 3.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.001 0.429 . . . . 77.99 110.375 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.89 99.95 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.559 -0.291 . . . . 82.81 111.5 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 108.31 161.32 20.53 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-O 122.125 0.847 . . . . 72.21 111.569 -172.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -55.76 139.08 69.93 Favored Pre-proline 0 C--O 1.237 0.398 0 CA-C-N 114.911 -0.645 . . . . 63.54 110.327 -176.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.03 147.63 62.89 Favored 'Trans proline' 0 C--O 1.25 1.116 0 CA-C-N 118.67 0.561 . . . . 60.12 110.733 175.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.44 145.55 45.78 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 120.791 0.994 . . . . 61.99 112.361 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.73 66.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.047 -0.978 . . . . 61.07 112.617 -174.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 78.1 p -62.86 -24.2 67.69 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.187 -0.605 . . . . 66.96 111.982 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.85 -8.11 59.63 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.673 0.99 . . . . 60.99 113.673 -174.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.7 t0 51.91 61.18 3.35 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.094 0.958 . . . . 63.11 112.497 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 67.5 mt -115.37 119.32 61.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 107.44 -1.318 . . . . 49.09 107.44 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLN . . . . . 0.775 ' NE2' ' O ' ' A' ' 404' ' ' HOH . 54.6 tt0 -73.3 105.81 4.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.352 -0.61 . . . . 66.98 109.352 175.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 19.9 t -88.26 130.07 38.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.911 -0.774 . . . . 47.7 108.911 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 20.9 m -132.57 171.26 18.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.848 -0.797 . . . . 47.37 108.848 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -108.96 140.31 42.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.362 -0.835 . . . . 63.33 111.059 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -71.37 140.72 85.12 Favored Pre-proline 0 N--CA 1.45 -0.463 0 N-CA-C 109.219 -0.659 . . . . 46.31 109.219 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -83.95 147.4 54.19 Favored 'Cis proline' 0 C--O 1.237 0.458 0 C-N-CA 124.943 -0.857 . . . . 37.57 112.959 -2.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -112.35 108.08 17.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.655 -1.239 . . . . 55.1 107.655 172.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.1 t -91.83 117.72 35.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.274 0.559 . . . . 38.08 109.859 -167.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 mp -115.61 104.26 11.53 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 105.149 -2.167 . . . . 44.19 105.149 168.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -53.83 136.65 55.5 Favored Pre-proline 0 C--O 1.242 0.669 0 C-N-CA 120.286 -0.566 . . . . 46.66 109.716 -168.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -87.28 11.52 56.04 Favored 'Cis proline' 0 CA--C 1.547 1.139 0 N-CA-C 115.312 1.235 . . . . 35.53 115.312 4.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.02 134.31 51.83 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 122.244 -0.285 . . . . 35.95 111.332 -158.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -87.51 108.83 19.22 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.93 -1.137 . . . . 32.56 107.93 164.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 21.3 mt -90.97 129.53 36.98 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.826 -0.805 . . . . 39.77 108.826 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -144.42 158.7 43.62 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.602 -0.888 . . . . 37.69 108.602 -169.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -82.94 -56.23 3.93 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 117.844 -1.542 . . . . 41.1 109.412 167.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -80.76 139.72 50.57 Favored Pre-proline 0 N--CA 1.448 -0.547 0 C-N-CA 124.177 0.991 . . . . 62.19 110.317 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -83.47 46.45 2.09 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 123.07 2.513 . . . . 38.17 115.366 -175.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.86 134.14 47.45 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 116.471 -0.331 . . . . 61.4 110.231 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -55.44 145.72 66.73 Favored 'Trans proline' 0 C--O 1.234 0.289 0 CA-C-O 122.064 0.777 . . . . 44.03 111.07 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -101.86 150.44 23.17 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 107.927 -1.138 . . . . 42.84 107.927 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.44 77.31 Favored Glycine 0 C--N 1.338 0.646 0 O-C-N 123.761 0.663 . . . . 46.14 113.57 -171.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 19.5 p -132.47 -23.97 2.06 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 114.667 1.358 . . . . 40.85 114.667 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -112.9 153.45 45.19 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 117.318 -1.753 . . . . 42.31 111.703 -168.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.09 140.32 71.32 Favored 'Trans proline' 0 C--O 1.238 0.515 0 CA-C-O 121.417 0.507 . . . . 36.38 110.839 165.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.0 t -103.53 138.46 27.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 115.814 -0.63 . . . . 32.7 110.31 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 37.1 mt -110.19 126.12 53.77 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 106.322 -1.733 . . . . 31.67 106.322 161.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -139.64 161.95 36.27 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.566 -0.854 . . . . 30.85 110.427 -170.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -114.2 -124.15 3.96 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.767 -1.106 . . . . 29.45 110.781 171.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 86.1 t60 67.41 -45.01 0.47 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.13 2.172 . . . . 43.07 116.427 173.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.8 m -84.07 -6.13 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 117.611 -1.635 . . . . 35.82 114.316 -170.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.4 m170 49.91 65.24 7.19 Favored Pre-proline 0 C--O 1.235 0.324 0 CA-C-N 118.902 0.774 . . . . 37.91 110.609 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.14 135.07 33.44 Favored 'Trans proline' 0 C--O 1.238 0.508 0 CA-C-N 118.728 0.581 . . . . 30.69 111.468 -173.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.57 160.15 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 106.918 -1.512 . . . . 35.28 106.918 172.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -123.88 135.11 53.52 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.376 -0.829 . . . . 45.84 109.398 172.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 77.9 t -92.66 120.25 41.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.439 -0.801 . . . . 51.08 109.353 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.2 mt -110.95 137.53 48.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.646 0.779 . . . . 54.57 109.418 171.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.85 152.19 35.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.745 0.783 . . . . 94.76 112.135 -177.563 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.452 0 N-CA-C 110.316 -1.114 . . . . 85.23 110.316 165.323 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 113.596 0.962 . . . . 85.95 113.596 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.2 tp -120.06 119.09 32.34 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.286 1.035 . . . . 63.36 109.294 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 99.89 12.8 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 107.547 -1.279 . . . . 64.93 107.547 177.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.7 mp -102.61 142.91 25.54 Favored Pre-proline 0 C--N 1.32 -0.713 0 C-N-CA 111.81 -3.956 . . . . 51.1 110.886 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -67.12 138.37 47.19 Favored 'Trans proline' 0 N--CA 1.477 0.517 0 C-N-CA 120.119 0.546 . . . . 40.06 112.085 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.87 145.1 41.78 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.524 -0.871 . . . . 37.23 111.533 -173.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -77.26 144.27 38.31 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.671 -0.862 . . . . 38.53 108.671 165.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.56 105.11 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 106.401 -1.703 . . . . 32.12 106.401 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.82 117.84 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 107.891 -1.151 . . . . 40.9 107.891 -174.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -146.02 151.48 37.82 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.173 0.511 . . . . 47.18 110.172 -169.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.89 -37.14 85.75 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.971 -1.013 . . . . 61.62 111.599 -171.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -101.23 -48.72 4.3 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.155 0.798 . . . . 67.3 113.155 -176.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 80.5 t -136.73 114.25 13.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 N-CA-C 107.679 -1.23 . . . . 38.11 107.679 -176.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.4 m -104.86 154.14 20.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.404 -0.221 . . . . 34.71 110.404 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 56.8 mt -121.95 132.71 54.69 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.438 0.695 . . . . 35.67 111.591 -172.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 10.7 mp -94.77 146.12 30.83 Favored Pre-proline 0 C--N 1.266 -3.065 0 C-N-CA 119.815 -0.754 . . . . 31.11 110.212 169.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -70.88 154.06 63.5 Favored 'Trans proline' 0 C--N 1.323 -0.769 0 CA-C-O 121.746 0.644 . . . . 31.26 111.377 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -63.18 132.92 53.37 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.13 -0.941 . . . . 31.68 109.164 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' PHE . . . . . 0.461 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 58.4 t80 -77.92 -32.02 51.43 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 120.017 -0.673 . . . . 36.73 110.834 179.959 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -60.31 158.94 25.77 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.318 -0.944 . . . . 41.39 111.456 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' GLU . . . . . 0.649 ' N ' ' O ' ' A' ' 407' ' ' HOH . 5.1 tp10 -104.95 92.92 4.44 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.73 -0.841 . . . . 68.79 108.73 -178.31 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -134.69 163.47 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 49.97 110.885 -176.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 80.4 p -80.75 162.39 24.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.894 -1.048 . . . . 39.6 109.666 170.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . 93.15 -144.2 16.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.417 -0.896 . . . . 43.57 113.081 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 110.11 156.43 15.74 Favored Glycine 0 N--CA 1.444 -0.823 0 N-CA-C 111.023 -0.831 . . . . 40.35 111.023 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' TRP . . . . . 0.445 ' CE2' ' O ' ' A' ' 411' ' ' HOH . 4.7 t-105 -81.88 114.78 20.72 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.116 -0.698 . . . . 65.22 109.116 175.531 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -64.99 115.31 5.26 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.219 -0.446 . . . . 62.7 109.85 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' ILE . . . . . . . . . . . . . 41.2 mm -77.65 133.56 30.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.076 -0.712 . . . . 44.68 109.076 177.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 3.8 t -63.81 134.79 96.03 Favored Pre-proline 0 C--O 1.244 0.778 0 C-N-CA 120.099 -0.64 . . . . 62.95 111.493 -175.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.3 -5.41 13.79 Favored 'Trans proline' 0 C--O 1.24 0.598 0 N-CA-C 113.875 0.683 . . . . 65.76 113.875 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -103.29 9.84 37.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.822 0.737 . . . . 62.56 112.528 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 1.8 p -60.33 143.63 52.51 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.249 0.547 . . . . 64.39 111.228 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -89.1 38.78 0.91 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.145 -0.48 . . . . 67.56 112.231 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 4.5 m -123.07 171.24 9.43 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.157 0.983 . . . . 62.62 110.375 -176.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -90.82 124.93 35.53 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.036 -0.727 . . . . 54.38 109.036 174.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.84 137.61 50.93 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.187 0.995 . . . . 48.15 109.365 -176.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -136.01 119.52 16.97 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 107.849 -1.167 . . . . 53.49 107.849 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 214' ' ' TRP . 10.7 mp -85.26 119.44 25.64 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 107.459 -1.311 . . . . 46.49 107.459 -175.864 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 209' ' ' GLY . . . -90.19 89.13 7.52 Favored 'General case' 0 C--N 1.312 -1.043 1 N-CA-C 99.249 -4.352 . . . . 57.62 99.249 178.635 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 208' ' ' ALA . . . . . . . . 0 C--O 1.271 2.452 1 CA-C-O 110.629 -5.539 . . . . 77.38 108.24 168.398 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' ARG . . . . . 0.815 ' N ' ' O ' ' A' ' 403' ' ' HOH . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 122.456 1.122 . . . . 79.75 112.047 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.83 116.5 50.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 105.405 -2.072 . . . . 55.03 105.405 166.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 207' ' ' LEU . 88.7 m95 -92.2 111.18 49.0 Favored Pre-proline 0 C--O 1.241 0.643 0 CA-C-O 119.359 -0.353 . . . . 66.06 110.241 -166.844 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -68.47 133.17 27.32 Favored 'Trans proline' 0 C--O 1.235 0.329 0 CA-C-N 119.443 0.837 . . . . 50.12 110.855 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.483 1.177 0 C-N-CA 125.973 1.709 . . . . 70.68 114.444 -161.895 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . 0.938 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . 0.676 ' O ' ' OD1' ' A' ' 18' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . 0.815 ' O ' ' N ' ' A' ' 212' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . 0.775 ' O ' ' NE2' ' A' ' 127' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . 0.696 ' O ' ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . 0.649 ' O ' ' N ' ' A' ' 190' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . 0.605 ' O ' ' NH1' ' A' ' 115' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . 0.592 ' O ' ' N ' ' A' ' 69' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . 0.445 ' O ' ' CE2' ' A' ' 195' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' HOH . . . . . 0.42 ' O ' ' NE2' ' A' ' 72' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . 0.597 ' HB3' ' O ' ' A' ' 403' ' ' HOH . 29.7 t-20 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.307 0.099 . . . . 68.28 110.951 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -131.05 159.39 37.69 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 122.106 0.955 . . . . 66.49 112.743 -162.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -114.77 110.98 46.04 Favored Pre-proline 0 C--O 1.249 1.057 0 CA-C-N 114.327 -1.306 . . . . 62.35 108.471 177.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.68 141.39 27.61 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 CA-C-N 119.532 0.868 . . . . 50.08 110.665 178.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 pt -135.06 157.4 40.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.737 0.779 . . . . 44.85 108.93 172.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -103.11 133.82 47.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.729 -1.211 . . . . 67.52 107.729 167.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -151.42 114.7 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.472 -1.307 . . . . 42.97 107.472 -175.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' NH1' ' HG3' ' A' ' 180' ' ' GLU . 15.8 mmm180 53.56 42.92 31.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.997 0.903 . . . . 51.45 110.494 -179.586 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.06 8.81 87.31 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 115.285 0.874 . . . . 41.4 115.285 173.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -121.62 144.9 48.49 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 118.369 1.085 . . . . 43.34 110.281 -177.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.47 119.85 27.17 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 107.365 -1.346 . . . . 39.92 107.365 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.2 mt -124.44 137.6 54.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.567 -0.901 . . . . 38.07 108.567 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -107.38 114.26 28.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.064 -1.087 . . . . 47.01 108.064 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.1 mt -80.59 125.23 29.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.158 -1.053 . . . . 43.57 108.158 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.4 mt -100.33 136.65 39.89 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.068 0.547 . . . . 41.58 110.739 -175.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.52 -31.74 62.32 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.087 -0.506 . . . . 47.11 112.083 -175.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . 0.676 ' OD1' ' O ' ' A' ' 402' ' ' HOH . 22.6 t0 -88.4 31.74 0.81 Allowed 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.348 0.87 . . . . 50.05 113.348 -178.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . 0.674 ' HE3' ' O ' ' A' ' 187' ' ' ALA . 18.5 mtpt 72.4 48.25 0.24 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.67 0.668 . . . . 40.89 112.279 166.094 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.62 158.67 44.29 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.036 -1.098 . . . . 35.53 108.036 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.1 mt -117.17 133.85 62.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 107.479 -1.304 . . . . 34.05 107.479 171.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -108.53 134.47 51.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.342 -0.984 . . . . 43.53 108.342 170.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -117.99 93.35 44.24 Favored Pre-proline 0 C--O 1.241 0.618 0 N-CA-C 105.016 -2.216 . . . . 38.11 105.016 -173.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.65 -46.7 27.94 Favored 'Trans proline' 0 N--CA 1.481 0.737 0 N-CA-C 114.309 0.85 . . . . 39.17 114.309 -170.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -27.19 66.9 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 111.937 0.347 . . . . 44.99 111.937 -175.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -102.28 -1.88 30.2 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 122.677 0.391 . . . . 42.53 111.87 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 49.02 42.6 21.14 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 122.222 1.011 . . . . 61.02 110.378 -177.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.38 135.39 54.36 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.057 -0.974 . . . . 37.84 110.661 -170.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.421 HD23 HD13 ' A' ' 73' ' ' LEU . 26.6 tp -104.5 127.07 52.13 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.639 0.776 . . . . 33.69 109.16 169.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -114.34 131.7 56.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.644 1.178 . . . . 38.76 108.81 -177.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.41 170.76 7.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 107.066 -1.457 . . . . 30.72 107.066 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.4 154.27 37.45 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.582 -0.736 . . . . 31.04 109.19 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 52.46 59.68 4.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.395 -1.275 . . . . 34.22 110.097 169.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.4 t -72.64 -42.12 62.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 113.968 -1.469 . . . . 39.38 110.171 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . 0.661 ' HB2' ' HZ ' ' A' ' 191' ' ' PHE . 91.7 m-70 50.54 58.6 5.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.074 0.94 . . . . 46.8 111.818 -178.807 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 mm -62.22 129.26 25.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 115.351 -0.841 . . . . 45.45 108.927 164.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.84 61.44 Favored Glycine 0 C--O 1.243 0.687 0 CA-C-O 119.413 -0.66 . . . . 56.22 114.159 -174.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HE2' ' CE1' ' A' ' 81' ' ' HIS . 16.7 ttmm -89.21 70.05 8.27 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 122.934 1.349 . . . . 59.2 107.794 163.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.27 141.47 48.49 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 113.939 -1.482 . . . . 61.3 107.635 169.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.06 178.85 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.963 0.887 . . . . 68.69 108.815 168.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -118.5 27.4 8.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.249 -0.887 . . . . 65.14 112.693 -164.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.478 0.95 0 CA-C-N 119.296 0.953 . . . . 61.22 113.335 -176.668 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.455 0 N-CA-C 116.03 1.172 . . . . 55.21 116.03 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -82.2 155.04 25.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.381 0.61 . . . . 59.27 110.742 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.3 m -45.68 -49.92 14.09 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.378 -0.828 . . . . 53.11 111.09 171.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -62.51 -44.46 96.31 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 119.975 -0.69 . . . . 66.83 110.502 -177.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.06 -37.14 81.6 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.848 -0.741 . . . . 47.53 110.789 -179.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.8 m -68.11 -46.67 70.25 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.271 -0.572 . . . . 48.97 110.708 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.99 -44.49 95.88 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.223 -0.591 . . . . 45.2 111.284 176.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.62 72.72 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 118.86 -1.136 . . . . 44.75 111.65 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -64.3 -37.03 86.03 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.567 0.222 . . . . 48.57 111.237 175.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.35 -42.17 93.09 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 121.906 -0.497 . . . . 44.49 112.006 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -58.19 -32.63 68.44 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.837 0.31 . . . . 46.91 111.837 178.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.81 -44.32 70.26 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.582 -0.447 . . . . 78.73 111.313 178.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.9 mt -64.99 -41.34 95.49 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.258 -0.577 . . . . 45.58 111.145 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.7 mt -67.99 -30.54 69.83 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.131 0.419 . . . . 47.05 112.131 -178.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.66 -28.4 51.18 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.422 -0.911 . . . . 48.55 111.575 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -74.73 -23.18 58.53 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.576 0.954 . . . . 66.05 113.576 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -138.67 144.98 39.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.754 0.706 . . . . 47.08 109.988 -170.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -66.56 98.37 0.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.737 -0.838 . . . . 53.3 108.737 174.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.3 m -114.01 103.13 10.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.222 -1.029 . . . . 42.64 108.222 -175.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -76.13 -28.51 57.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.487 -0.779 . . . . 63.84 110.69 169.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 412' ' ' HOH . 28.1 pt20 -144.13 152.4 40.87 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.888 0.851 . . . . 43.48 111.296 -178.476 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 29' ' ' LEU . 18.5 tp -120.89 130.11 53.77 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 107.301 -1.37 . . . . 40.62 107.301 174.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.3 mt -119.64 119.47 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.75 -1.204 . . . . 36.59 107.75 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 mt -101.88 113.73 39.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 107.663 -1.236 . . . . 34.47 107.663 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -80.96 55.02 2.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 122.24 1.019 . . . . 34.36 110.648 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' HA3' ' ND1' ' A' ' 142' ' ' HIS . . . 97.34 152.53 28.64 Favored Glycine 0 C--O 1.236 0.274 0 C-N-CA 118.556 -1.783 . . . . 35.83 113.538 173.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 59.57 56.08 3.8 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.479 1.112 . . . . 46.56 112.21 170.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -72.77 -64.8 0.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.303 -0.862 . . . . 47.7 111.885 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.4 mt -93.26 140.51 29.46 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.23 -0.656 . . . . 56.81 109.23 175.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . 0.537 ' CE1' ' HE2' ' A' ' 38' ' ' LYS . 67.7 t60 -68.99 -63.44 1.06 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.063 -1.055 . . . . 59.77 112.096 -172.11 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.77 -157.73 0.8 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 118.135 -1.426 . . . . 79.93 108.798 -171.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ARG . . . . . 0.471 ' HA ' ' NH1' ' A' ' 86' ' ' ARG . 1.6 mtp85 -72.42 -28.76 63.17 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.283 -0.567 . . . . 88.91 111.174 -178.398 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -77.59 12.67 1.53 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.049 0.939 . . . . 94.21 112.319 169.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.49 -7.99 15.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.521 0.563 . . . . 77.18 112.521 165.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 83' ' ' ARG . 13.7 mtm-85 -86.51 41.07 0.92 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.744 0.702 . . . . 90.66 111.181 163.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.1 144.75 39.26 Favored Pre-proline 0 C--O 1.237 0.403 1 C-N-CA 131.792 4.037 . . . . 71.89 110.501 -174.956 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -56.29 -56.52 2.02 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 O-C-N 122.417 0.693 . . . . 70.45 110.418 -171.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.89 98.26 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.367 0.417 . . . . 54.61 111.74 -178.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.4 m -69.31 -46.91 66.0 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.534 -0.466 . . . . 54.43 111.576 -169.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.8 mt -66.21 -28.93 69.12 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 118.862 -1.135 . . . . 61.63 111.025 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.93 82.43 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.9 0.381 . . . . 46.28 111.657 175.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' A' ' 405' ' ' HOH . 35.0 mttt -68.6 -33.43 74.04 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.139 -0.624 . . . . 53.23 111.696 177.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.04 -44.03 75.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 120.339 -0.544 . . . . 44.11 109.773 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.19 -47.87 68.53 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.872 -0.331 . . . . 71.75 110.335 172.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -54.76 -53.26 57.37 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.963 -0.695 . . . . 44.55 110.334 178.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 65.6 t90 -58.24 -43.02 87.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.174 -0.466 . . . . 46.95 111.921 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -66.4 -43.21 86.46 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 119.23 -0.988 . . . . 55.88 111.177 -173.673 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -71.35 -8.6 54.84 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.321 0.86 . . . . 55.01 113.321 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -82.93 -8.88 59.53 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.542 1.065 . . . . 43.28 112.327 166.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -131.05 52.96 2.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.474 1.11 . . . . 47.24 109.837 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -55.91 -33.09 64.35 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.825 -0.625 . . . . 57.42 111.86 -171.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.99 -18.8 28.23 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 113.709 1.003 . . . . 66.84 113.709 -175.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.21 128.71 38.11 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 118.439 0.563 . . . . 48.5 109.75 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -80.02 131.02 35.7 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.873 -0.788 . . . . 58.44 108.873 165.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.5 t -117.7 114.1 44.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 107.362 -1.348 . . . . 39.22 107.362 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.9 t -108.95 123.25 64.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.834 -0.802 . . . . 37.95 108.834 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.1 tp -109.34 116.22 31.45 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.504 -0.554 . . . . 41.45 109.504 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.7 mt -85.49 125.59 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 107.863 -1.162 . . . . 41.6 107.863 169.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 -74.68 129.98 38.69 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.95 -0.3 . . . . 71.14 111.652 -163.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -107.62 179.3 21.96 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-O 122.248 0.915 . . . . 63.45 112.213 173.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -64.53 -20.56 66.3 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.827 -0.749 . . . . 65.93 112.156 -176.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -87.21 -33.76 19.22 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.289 0.477 . . . . 63.97 112.289 173.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -64.92 -38.95 92.67 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.513 -0.475 . . . . 62.86 111.283 171.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ARG . . . . . 0.472 ' NH1' ' O ' ' A' ' 408' ' ' HOH . 1.7 mtp180 -63.63 -50.37 69.6 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.046 0.451 . . . . 74.2 111.18 174.418 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -54.94 -60.4 3.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.001 0.429 . . . . 77.99 110.375 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.89 99.95 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.559 -0.291 . . . . 82.81 111.5 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 108.31 161.32 20.53 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-O 122.125 0.847 . . . . 72.21 111.569 -172.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -55.76 139.08 69.93 Favored Pre-proline 0 C--O 1.237 0.398 0 CA-C-N 114.911 -0.645 . . . . 63.54 110.327 -176.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.03 147.63 62.89 Favored 'Trans proline' 0 C--O 1.25 1.116 0 CA-C-N 118.67 0.561 . . . . 60.12 110.733 175.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.44 145.55 45.78 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 120.791 0.994 . . . . 61.99 112.361 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.73 66.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.047 -0.978 . . . . 61.07 112.617 -174.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 78.1 p -62.86 -24.2 67.69 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.187 -0.605 . . . . 66.96 111.982 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.85 -8.11 59.63 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.673 0.99 . . . . 60.99 113.673 -174.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.7 t0 51.91 61.18 3.35 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.094 0.958 . . . . 63.11 112.497 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 67.5 mt -115.37 119.32 61.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 107.44 -1.318 . . . . 49.09 107.44 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -73.3 105.81 4.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.352 -0.61 . . . . 66.98 109.352 175.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 19.9 t -88.26 130.07 38.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.911 -0.774 . . . . 47.7 108.911 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 20.9 m -132.57 171.26 18.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.848 -0.797 . . . . 47.37 108.848 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -108.96 140.31 42.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.362 -0.835 . . . . 63.33 111.059 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -71.37 140.72 85.12 Favored Pre-proline 0 N--CA 1.45 -0.463 0 N-CA-C 109.219 -0.659 . . . . 46.31 109.219 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -83.95 147.4 54.19 Favored 'Cis proline' 0 C--O 1.237 0.458 0 C-N-CA 124.943 -0.857 . . . . 37.57 112.959 -2.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -112.35 108.08 17.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.655 -1.239 . . . . 55.1 107.655 172.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.1 t -91.83 117.72 35.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.274 0.559 . . . . 38.08 109.859 -167.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 mp -115.61 104.26 11.53 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 105.149 -2.167 . . . . 44.19 105.149 168.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -53.83 136.65 55.5 Favored Pre-proline 0 C--O 1.242 0.669 0 C-N-CA 120.286 -0.566 . . . . 46.66 109.716 -168.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -87.28 11.52 56.04 Favored 'Cis proline' 0 CA--C 1.547 1.139 0 N-CA-C 115.312 1.235 . . . . 35.53 115.312 4.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.02 134.31 51.83 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 122.244 -0.285 . . . . 35.95 111.332 -158.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -87.51 108.83 19.22 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.93 -1.137 . . . . 32.56 107.93 164.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 21.3 mt -90.97 129.53 36.98 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.826 -0.805 . . . . 39.77 108.826 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -144.42 158.7 43.62 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.602 -0.888 . . . . 37.69 108.602 -169.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HIS . . . . . 0.421 ' ND1' ' HA3' ' A' ' 77' ' ' GLY . 65.4 t60 -82.94 -56.23 3.93 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 117.844 -1.542 . . . . 41.1 109.412 167.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -80.76 139.72 50.57 Favored Pre-proline 0 N--CA 1.448 -0.547 0 C-N-CA 124.177 0.991 . . . . 62.19 110.317 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -83.47 46.45 2.09 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 123.07 2.513 . . . . 38.17 115.366 -175.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.86 134.14 47.45 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 116.471 -0.331 . . . . 61.4 110.231 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -55.44 145.72 66.73 Favored 'Trans proline' 0 C--O 1.234 0.289 0 CA-C-O 122.064 0.777 . . . . 44.03 111.07 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -101.86 150.44 23.17 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 107.927 -1.138 . . . . 42.84 107.927 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.44 77.31 Favored Glycine 0 C--N 1.338 0.646 0 O-C-N 123.761 0.663 . . . . 46.14 113.57 -171.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 19.5 p -132.47 -23.97 2.06 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 114.667 1.358 . . . . 40.85 114.667 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -112.9 153.45 45.19 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 117.318 -1.753 . . . . 42.31 111.703 -168.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.09 140.32 71.32 Favored 'Trans proline' 0 C--O 1.238 0.515 0 CA-C-O 121.417 0.507 . . . . 36.38 110.839 165.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.0 t -103.53 138.46 27.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 115.814 -0.63 . . . . 32.7 110.31 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 37.1 mt -110.19 126.12 53.77 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 106.322 -1.733 . . . . 31.67 106.322 161.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -139.64 161.95 36.27 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.566 -0.854 . . . . 30.85 110.427 -170.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -114.2 -124.15 3.96 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.767 -1.106 . . . . 29.45 110.781 171.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 86.1 t60 67.41 -45.01 0.47 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.13 2.172 . . . . 43.07 116.427 173.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' VAL . . . . . 0.448 HG21 HD13 ' A' ' 184' ' ' LEU . 2.8 m -84.07 -6.13 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 117.611 -1.635 . . . . 35.82 114.316 -170.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.4 m170 49.91 65.24 7.19 Favored Pre-proline 0 C--O 1.235 0.324 0 CA-C-N 118.902 0.774 . . . . 37.91 110.609 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.14 135.07 33.44 Favored 'Trans proline' 0 C--O 1.238 0.508 0 CA-C-N 118.728 0.581 . . . . 30.69 111.468 -173.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' VAL . . . . . 0.613 HG21 ' HG2' ' A' ' 172' ' ' ARG . 33.0 m -132.57 160.15 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 106.918 -1.512 . . . . 35.28 106.918 172.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -123.88 135.11 53.52 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.376 -0.829 . . . . 45.84 109.398 172.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 77.9 t -92.66 120.25 41.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.439 -0.801 . . . . 51.08 109.353 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.2 mt -110.95 137.53 48.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.646 0.779 . . . . 54.57 109.418 171.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' ARG . . . . . 0.483 ' HG2' ' N ' ' A' ' 165' ' ' GLY . 0.4 OUTLIER -117.85 152.19 35.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.745 0.783 . . . . 94.76 112.135 -177.563 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 165' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' A' ' 164' ' ' ARG . . . . . . . . 0 CA--C 1.521 0.452 0 N-CA-C 110.316 -1.114 . . . . 85.23 110.316 165.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 113.596 0.962 . . . . 85.95 113.596 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.2 tp -120.06 119.09 32.34 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.286 1.035 . . . . 63.36 109.294 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' ARG . . . . . 0.613 ' HG2' HG21 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -89.76 99.89 12.8 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 107.547 -1.279 . . . . 64.93 107.547 177.768 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.7 mp -102.61 142.91 25.54 Favored Pre-proline 0 C--N 1.32 -0.713 0 C-N-CA 111.81 -3.956 . . . . 51.1 110.886 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -67.12 138.37 47.19 Favored 'Trans proline' 0 N--CA 1.477 0.517 0 C-N-CA 120.119 0.546 . . . . 40.06 112.085 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.87 145.1 41.78 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.524 -0.871 . . . . 37.23 111.533 -173.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -77.26 144.27 38.31 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.671 -0.862 . . . . 38.53 108.671 165.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.56 105.11 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 106.401 -1.703 . . . . 32.12 106.401 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.82 117.84 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 107.891 -1.151 . . . . 40.9 107.891 -174.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -146.02 151.48 37.82 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.173 0.511 . . . . 47.18 110.172 -169.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' GLU . . . . . 0.432 ' HG3' ' NH1' ' A' ' 9' ' ' ARG . 9.0 tp10 -62.89 -37.14 85.75 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.971 -1.013 . . . . 61.62 111.599 -171.016 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -101.23 -48.72 4.3 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.155 0.798 . . . . 67.3 113.155 -176.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 80.5 t -136.73 114.25 13.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 N-CA-C 107.679 -1.23 . . . . 38.11 107.679 -176.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.4 m -104.86 154.14 20.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.404 -0.221 . . . . 34.71 110.404 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' LEU . . . . . 0.448 HD13 HG21 ' A' ' 157' ' ' VAL . 56.8 mt -121.95 132.71 54.69 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.438 0.695 . . . . 35.67 111.591 -172.365 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 10.7 mp -94.77 146.12 30.83 Favored Pre-proline 0 C--N 1.266 -3.065 0 C-N-CA 119.815 -0.754 . . . . 31.11 110.212 169.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -70.88 154.06 63.5 Favored 'Trans proline' 0 C--N 1.323 -0.769 0 CA-C-O 121.746 0.644 . . . . 31.26 111.377 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' ALA . . . . . 0.674 ' O ' ' HE3' ' A' ' 19' ' ' LYS . . . -63.18 132.92 53.37 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.13 -0.941 . . . . 31.68 109.164 177.345 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 188' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -77.92 -32.02 51.43 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 120.017 -0.673 . . . . 36.73 110.834 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' GLY . . . . . 0.531 ' HA3' ' CZ ' ' A' ' 191' ' ' PHE . . . -60.31 158.94 25.77 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.318 -0.944 . . . . 41.39 111.456 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 190' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 407' ' ' HOH . 5.1 tp10 -104.95 92.92 4.44 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.73 -0.841 . . . . 68.79 108.73 -178.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 191' ' ' PHE . . . . . 0.661 ' HZ ' ' HB2' ' A' ' 35' ' ' HIS . 1.1 m-85 -134.69 163.47 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 49.97 110.885 -176.831 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 80.4 p -80.75 162.39 24.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.894 -1.048 . . . . 39.6 109.666 170.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . 93.15 -144.2 16.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.417 -0.896 . . . . 43.57 113.081 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 110.11 156.43 15.74 Favored Glycine 0 N--CA 1.444 -0.823 0 N-CA-C 111.023 -0.831 . . . . 40.35 111.023 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' TRP . . . . . 0.501 ' HA ' ' CE3' ' A' ' 195' ' ' TRP . 4.7 t-105 -81.88 114.78 20.72 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.116 -0.698 . . . . 65.22 109.116 175.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -64.99 115.31 5.26 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.219 -0.446 . . . . 62.7 109.85 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' ILE . . . . . . . . . . . . . 41.2 mm -77.65 133.56 30.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.076 -0.712 . . . . 44.68 109.076 177.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 3.8 t -63.81 134.79 96.03 Favored Pre-proline 0 C--O 1.244 0.778 0 C-N-CA 120.099 -0.64 . . . . 62.95 111.493 -175.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.3 -5.41 13.79 Favored 'Trans proline' 0 C--O 1.24 0.598 0 N-CA-C 113.875 0.683 . . . . 65.76 113.875 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -103.29 9.84 37.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.822 0.737 . . . . 62.56 112.528 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 1.8 p -60.33 143.63 52.51 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.249 0.547 . . . . 64.39 111.228 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -89.1 38.78 0.91 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.145 -0.48 . . . . 67.56 112.231 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 4.5 m -123.07 171.24 9.43 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.157 0.983 . . . . 62.62 110.375 -176.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -90.82 124.93 35.53 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.036 -0.727 . . . . 54.38 109.036 174.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.84 137.61 50.93 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.187 0.995 . . . . 48.15 109.365 -176.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -136.01 119.52 16.97 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 107.849 -1.167 . . . . 53.49 107.849 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.26 119.44 25.64 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 107.459 -1.311 . . . . 46.49 107.459 -175.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 209' ' ' GLY . . . -90.19 89.13 7.52 Favored 'General case' 0 C--N 1.312 -1.043 1 N-CA-C 99.249 -4.352 . . . . 57.62 99.249 178.635 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 209' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 208' ' ' ALA . . . . . . . . 0 C--O 1.271 2.452 1 CA-C-O 110.629 -5.539 . . . . 77.38 108.24 168.398 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 212' ' ' ARG . . . . . 0.815 ' N ' ' O ' ' A' ' 403' ' ' HOH . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 122.456 1.122 . . . . 79.75 112.047 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 213' ' ' VAL . . . . . 0.442 ' O ' ' HD3' ' A' ' 215' ' ' PRO . 3.4 t -119.83 116.5 50.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 105.405 -2.072 . . . . 55.03 105.405 166.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 214' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -92.2 111.18 49.0 Favored Pre-proline 0 C--O 1.241 0.643 0 CA-C-O 119.359 -0.353 . . . . 66.06 110.241 -166.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 213' ' ' VAL . 22.9 Cg_exo -68.47 133.17 27.32 Favored 'Trans proline' 0 C--O 1.235 0.329 0 CA-C-N 119.443 0.837 . . . . 50.12 110.855 175.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 216' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.483 1.177 0 C-N-CA 125.973 1.709 . . . . 70.68 114.444 -161.895 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . 0.531 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . 0.676 ' O ' ' OD1' ' A' ' 18' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . 0.815 ' O ' ' N ' ' A' ' 212' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . 0.426 ' O ' ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . 0.452 ' O ' ' N ' ' A' ' 190' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . 0.472 ' O ' ' NH1' ' A' ' 115' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . 0.445 ' O ' ' CE2' ' A' ' 195' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 412' ' ' HOH . . . . . 0.42 ' O ' ' NE2' ' A' ' 72' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.597 ' HB3' ' O ' ' A' ' 403' ' ' HOH . 29.7 t-20 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.307 0.099 . . . . 68.28 110.951 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -131.05 159.39 37.69 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 122.106 0.955 . . . . 66.49 112.743 -162.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -114.77 110.98 46.04 Favored Pre-proline 0 C--O 1.249 1.057 0 CA-C-N 114.327 -1.306 . . . . 62.35 108.471 177.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.68 141.39 27.61 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 CA-C-N 119.532 0.868 . . . . 50.08 110.665 178.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 pt -135.06 157.4 40.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.737 0.779 . . . . 44.85 108.93 172.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -103.11 133.82 47.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.729 -1.211 . . . . 67.52 107.729 167.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -151.42 114.7 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.472 -1.307 . . . . 42.97 107.472 -175.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' NH1' ' HG3' ' A' ' 180' ' ' GLU . 15.8 mmm180 53.56 42.92 31.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.997 0.903 . . . . 51.45 110.494 -179.586 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.06 8.81 87.31 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 115.285 0.874 . . . . 41.4 115.285 173.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -121.62 144.9 48.49 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 118.369 1.085 . . . . 43.34 110.281 -177.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.47 119.85 27.17 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 107.365 -1.346 . . . . 39.92 107.365 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.2 mt -124.44 137.6 54.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.567 -0.901 . . . . 38.07 108.567 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -107.38 114.26 28.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.064 -1.087 . . . . 47.01 108.064 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.1 mt -80.59 125.23 29.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.158 -1.053 . . . . 43.57 108.158 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.4 mt -100.33 136.65 39.89 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.068 0.547 . . . . 41.58 110.739 -175.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.52 -31.74 62.32 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.087 -0.506 . . . . 47.11 112.083 -175.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.676 ' OD1' ' O ' ' A' ' 402' ' ' HOH . 22.6 t0 -88.4 31.74 0.81 Allowed 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.348 0.87 . . . . 50.05 113.348 -178.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.674 ' HE3' ' O ' ' A' ' 187' ' ' ALA . 18.5 mtpt 72.4 48.25 0.24 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.67 0.668 . . . . 40.89 112.279 166.094 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.62 158.67 44.29 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.036 -1.098 . . . . 35.53 108.036 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.1 mt -117.17 133.85 62.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 107.479 -1.304 . . . . 34.05 107.479 171.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -108.53 134.47 51.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.342 -0.984 . . . . 43.53 108.342 170.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -117.99 93.35 44.24 Favored Pre-proline 0 C--O 1.241 0.618 0 N-CA-C 105.016 -2.216 . . . . 38.11 105.016 -173.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.65 -46.7 27.94 Favored 'Trans proline' 0 N--CA 1.481 0.737 0 N-CA-C 114.309 0.85 . . . . 39.17 114.309 -170.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -27.19 66.9 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 111.937 0.347 . . . . 44.99 111.937 -175.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -102.28 -1.88 30.2 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 122.677 0.391 . . . . 42.53 111.87 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 49.02 42.6 21.14 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 122.222 1.011 . . . . 61.02 110.378 -177.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.38 135.39 54.36 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.057 -0.974 . . . . 37.84 110.661 -170.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.421 HD23 HD13 ' A' ' 73' ' ' LEU . 26.6 tp -104.5 127.07 52.13 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.639 0.776 . . . . 33.69 109.16 169.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -114.34 131.7 56.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.644 1.178 . . . . 38.76 108.81 -177.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.41 170.76 7.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 107.066 -1.457 . . . . 30.72 107.066 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.4 154.27 37.45 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.582 -0.736 . . . . 31.04 109.19 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 52.46 59.68 4.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.395 -1.275 . . . . 34.22 110.097 169.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.4 t -72.64 -42.12 62.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 113.968 -1.469 . . . . 39.38 110.171 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.661 ' HB2' ' HZ ' ' A' ' 191' ' ' PHE . 91.7 m-70 50.54 58.6 5.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.074 0.94 . . . . 46.8 111.818 -178.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 mm -62.22 129.26 25.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 115.351 -0.841 . . . . 45.45 108.927 164.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.84 61.44 Favored Glycine 0 C--O 1.243 0.687 0 CA-C-O 119.413 -0.66 . . . . 56.22 114.159 -174.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HE2' ' CE1' ' A' ' 81' ' ' HIS . 16.7 ttmm -89.21 70.05 8.27 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 122.934 1.349 . . . . 59.2 107.794 163.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.27 141.47 48.49 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 113.939 -1.482 . . . . 61.3 107.635 169.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.06 178.85 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.963 0.887 . . . . 68.69 108.815 168.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -118.5 27.4 8.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.249 -0.887 . . . . 65.14 112.693 -164.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.478 0.95 0 CA-C-N 119.296 0.953 . . . . 61.22 113.335 -176.668 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.455 0 N-CA-C 116.03 1.172 . . . . 55.21 116.03 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -82.2 155.04 25.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.381 0.61 . . . . 59.27 110.742 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.3 m -45.68 -49.92 14.09 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.378 -0.828 . . . . 53.11 111.09 171.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -62.51 -44.46 96.31 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 119.975 -0.69 . . . . 66.83 110.502 -177.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.06 -37.14 81.6 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.848 -0.741 . . . . 47.53 110.789 -179.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.8 m -68.11 -46.67 70.25 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.271 -0.572 . . . . 48.97 110.708 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.99 -44.49 95.88 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.223 -0.591 . . . . 45.2 111.284 176.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.62 72.72 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 118.86 -1.136 . . . . 44.75 111.65 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -64.3 -37.03 86.03 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.567 0.222 . . . . 48.57 111.237 175.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.35 -42.17 93.09 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 121.906 -0.497 . . . . 44.49 112.006 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -58.19 -32.63 68.44 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.837 0.31 . . . . 46.91 111.837 178.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.81 -44.32 70.26 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.582 -0.447 . . . . 78.73 111.313 178.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.9 mt -64.99 -41.34 95.49 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.258 -0.577 . . . . 45.58 111.145 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.7 mt -67.99 -30.54 69.83 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.131 0.419 . . . . 47.05 112.131 -178.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.66 -28.4 51.18 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.422 -0.911 . . . . 48.55 111.575 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -74.73 -23.18 58.53 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.576 0.954 . . . . 66.05 113.576 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -138.67 144.98 39.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.754 0.706 . . . . 47.08 109.988 -170.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -66.56 98.37 0.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.737 -0.838 . . . . 53.3 108.737 174.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.3 m -114.01 103.13 10.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.222 -1.029 . . . . 42.64 108.222 -175.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -76.13 -28.51 57.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.487 -0.779 . . . . 63.84 110.69 169.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 412' ' ' HOH . 28.1 pt20 -144.13 152.4 40.87 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.888 0.851 . . . . 43.48 111.296 -178.476 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 29' ' ' LEU . 18.5 tp -120.89 130.11 53.77 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 107.301 -1.37 . . . . 40.62 107.301 174.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.3 mt -119.64 119.47 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.75 -1.204 . . . . 36.59 107.75 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 mt -101.88 113.73 39.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 107.663 -1.236 . . . . 34.47 107.663 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -80.96 55.02 2.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 122.24 1.019 . . . . 34.36 110.648 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' HA3' ' ND1' ' A' ' 142' ' ' HIS . . . 97.34 152.53 28.64 Favored Glycine 0 C--O 1.236 0.274 0 C-N-CA 118.556 -1.783 . . . . 35.83 113.538 173.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 59.57 56.08 3.8 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.479 1.112 . . . . 46.56 112.21 170.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -72.77 -64.8 0.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.303 -0.862 . . . . 47.7 111.885 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.4 mt -93.26 140.51 29.46 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.23 -0.656 . . . . 56.81 109.23 175.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.537 ' CE1' ' HE2' ' A' ' 38' ' ' LYS . 67.7 t60 -68.99 -63.44 1.06 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.063 -1.055 . . . . 59.77 112.096 -172.11 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.77 -157.73 0.8 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 118.135 -1.426 . . . . 79.93 108.798 -171.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.471 ' HA ' ' NH1' ' A' ' 86' ' ' ARG . 1.6 mtp85 -72.42 -28.76 63.17 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.283 -0.567 . . . . 88.91 111.174 -178.398 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -77.59 12.67 1.53 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.049 0.939 . . . . 94.21 112.319 169.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.49 -7.99 15.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.521 0.563 . . . . 77.18 112.521 165.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 83' ' ' ARG . 13.7 mtm-85 -86.51 41.07 0.92 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.744 0.702 . . . . 90.66 111.181 163.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.1 144.75 39.26 Favored Pre-proline 0 C--O 1.237 0.403 1 C-N-CA 131.792 4.037 . . . . 71.89 110.501 -174.956 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -56.29 -56.52 2.02 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 O-C-N 122.417 0.693 . . . . 70.45 110.418 -171.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.89 98.26 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.367 0.417 . . . . 54.61 111.74 -178.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.4 m -69.31 -46.91 66.0 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.534 -0.466 . . . . 54.43 111.576 -169.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.8 mt -66.21 -28.93 69.12 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 118.862 -1.135 . . . . 61.63 111.025 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.93 82.43 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.9 0.381 . . . . 46.28 111.657 175.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' A' ' 405' ' ' HOH . 35.0 mttt -68.6 -33.43 74.04 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.139 -0.624 . . . . 53.23 111.696 177.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.04 -44.03 75.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 120.339 -0.544 . . . . 44.11 109.773 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.19 -47.87 68.53 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.872 -0.331 . . . . 71.75 110.335 172.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -54.76 -53.26 57.37 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.963 -0.695 . . . . 44.55 110.334 178.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 65.6 t90 -58.24 -43.02 87.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.174 -0.466 . . . . 46.95 111.921 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -66.4 -43.21 86.46 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 119.23 -0.988 . . . . 55.88 111.177 -173.673 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -71.35 -8.6 54.84 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.321 0.86 . . . . 55.01 113.321 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -82.93 -8.88 59.53 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.542 1.065 . . . . 43.28 112.327 166.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -131.05 52.96 2.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.474 1.11 . . . . 47.24 109.837 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -55.91 -33.09 64.35 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.825 -0.625 . . . . 57.42 111.86 -171.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.99 -18.8 28.23 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 113.709 1.003 . . . . 66.84 113.709 -175.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.21 128.71 38.11 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 118.439 0.563 . . . . 48.5 109.75 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -80.02 131.02 35.7 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.873 -0.788 . . . . 58.44 108.873 165.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.5 t -117.7 114.1 44.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 107.362 -1.348 . . . . 39.22 107.362 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.9 t -108.95 123.25 64.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.834 -0.802 . . . . 37.95 108.834 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.1 tp -109.34 116.22 31.45 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.504 -0.554 . . . . 41.45 109.504 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.7 mt -85.49 125.59 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 107.863 -1.162 . . . . 41.6 107.863 169.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 -74.68 129.98 38.69 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.95 -0.3 . . . . 71.14 111.652 -163.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -107.62 179.3 21.96 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-O 122.248 0.915 . . . . 63.45 112.213 173.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -64.53 -20.56 66.3 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.827 -0.749 . . . . 65.93 112.156 -176.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.42 ' CE1' ' CE1' ' A' ' 81' ' ' HIS . 13.5 m-70 -87.21 -33.76 19.22 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.289 0.477 . . . . 63.97 112.289 173.453 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -64.92 -38.95 92.67 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.513 -0.475 . . . . 62.86 111.283 171.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.472 ' NH1' ' O ' ' A' ' 408' ' ' HOH . 1.7 mtp180 -63.63 -50.37 69.6 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.046 0.451 . . . . 74.2 111.18 174.418 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -54.94 -60.4 3.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.001 0.429 . . . . 77.99 110.375 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.89 99.95 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.559 -0.291 . . . . 82.81 111.5 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 108.31 161.32 20.53 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-O 122.125 0.847 . . . . 72.21 111.569 -172.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -55.76 139.08 69.93 Favored Pre-proline 0 C--O 1.237 0.398 0 CA-C-N 114.911 -0.645 . . . . 63.54 110.327 -176.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.03 147.63 62.89 Favored 'Trans proline' 0 C--O 1.25 1.116 0 CA-C-N 118.67 0.561 . . . . 60.12 110.733 175.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.44 145.55 45.78 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 120.791 0.994 . . . . 61.99 112.361 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.73 66.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.047 -0.978 . . . . 61.07 112.617 -174.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 78.1 p -62.86 -24.2 67.69 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.187 -0.605 . . . . 66.96 111.982 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.85 -8.11 59.63 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.673 0.99 . . . . 60.99 113.673 -174.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.7 t0 51.91 61.18 3.35 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.094 0.958 . . . . 63.11 112.497 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 67.5 mt -115.37 119.32 61.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 107.44 -1.318 . . . . 49.09 107.44 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -73.3 105.81 4.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.352 -0.61 . . . . 66.98 109.352 175.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 19.9 t -88.26 130.07 38.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.911 -0.774 . . . . 47.7 108.911 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 20.9 m -132.57 171.26 18.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.848 -0.797 . . . . 47.37 108.848 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -108.96 140.31 42.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.362 -0.835 . . . . 63.33 111.059 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -71.37 140.72 85.12 Favored Pre-proline 0 N--CA 1.45 -0.463 0 N-CA-C 109.219 -0.659 . . . . 46.31 109.219 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -83.95 147.4 54.19 Favored 'Cis proline' 0 C--O 1.237 0.458 0 C-N-CA 124.943 -0.857 . . . . 37.57 112.959 -2.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -112.35 108.08 17.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.655 -1.239 . . . . 55.1 107.655 172.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.1 t -91.83 117.72 35.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.274 0.559 . . . . 38.08 109.859 -167.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 mp -115.61 104.26 11.53 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 105.149 -2.167 . . . . 44.19 105.149 168.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -53.83 136.65 55.5 Favored Pre-proline 0 C--O 1.242 0.669 0 C-N-CA 120.286 -0.566 . . . . 46.66 109.716 -168.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -87.28 11.52 56.04 Favored 'Cis proline' 0 CA--C 1.547 1.139 0 N-CA-C 115.312 1.235 . . . . 35.53 115.312 4.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.02 134.31 51.83 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 122.244 -0.285 . . . . 35.95 111.332 -158.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -87.51 108.83 19.22 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.93 -1.137 . . . . 32.56 107.93 164.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 21.3 mt -90.97 129.53 36.98 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.826 -0.805 . . . . 39.77 108.826 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -144.42 158.7 43.62 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.602 -0.888 . . . . 37.69 108.602 -169.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.421 ' ND1' ' HA3' ' A' ' 77' ' ' GLY . 65.4 t60 -82.94 -56.23 3.93 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 117.844 -1.542 . . . . 41.1 109.412 167.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -80.76 139.72 50.57 Favored Pre-proline 0 N--CA 1.448 -0.547 0 C-N-CA 124.177 0.991 . . . . 62.19 110.317 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -83.47 46.45 2.09 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 123.07 2.513 . . . . 38.17 115.366 -175.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.86 134.14 47.45 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 116.471 -0.331 . . . . 61.4 110.231 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -55.44 145.72 66.73 Favored 'Trans proline' 0 C--O 1.234 0.289 0 CA-C-O 122.064 0.777 . . . . 44.03 111.07 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -101.86 150.44 23.17 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 107.927 -1.138 . . . . 42.84 107.927 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.44 77.31 Favored Glycine 0 C--N 1.338 0.646 0 O-C-N 123.761 0.663 . . . . 46.14 113.57 -171.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 19.5 p -132.47 -23.97 2.06 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 114.667 1.358 . . . . 40.85 114.667 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -112.9 153.45 45.19 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 117.318 -1.753 . . . . 42.31 111.703 -168.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.09 140.32 71.32 Favored 'Trans proline' 0 C--O 1.238 0.515 0 CA-C-O 121.417 0.507 . . . . 36.38 110.839 165.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.0 t -103.53 138.46 27.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 115.814 -0.63 . . . . 32.7 110.31 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 37.1 mt -110.19 126.12 53.77 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 106.322 -1.733 . . . . 31.67 106.322 161.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -139.64 161.95 36.27 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.566 -0.854 . . . . 30.85 110.427 -170.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -114.2 -124.15 3.96 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.767 -1.106 . . . . 29.45 110.781 171.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 86.1 t60 67.41 -45.01 0.47 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.13 2.172 . . . . 43.07 116.427 173.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.448 HG21 HD13 ' A' ' 184' ' ' LEU . 2.8 m -84.07 -6.13 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 117.611 -1.635 . . . . 35.82 114.316 -170.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.4 m170 49.91 65.24 7.19 Favored Pre-proline 0 C--O 1.235 0.324 0 CA-C-N 118.902 0.774 . . . . 37.91 110.609 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.14 135.07 33.44 Favored 'Trans proline' 0 C--O 1.238 0.508 0 CA-C-N 118.728 0.581 . . . . 30.69 111.468 -173.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.613 HG21 ' HG2' ' A' ' 172' ' ' ARG . 33.0 m -132.57 160.15 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 106.918 -1.512 . . . . 35.28 106.918 172.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -123.88 135.11 53.52 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.376 -0.829 . . . . 45.84 109.398 172.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 77.9 t -92.66 120.25 41.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.439 -0.801 . . . . 51.08 109.353 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.2 mt -110.95 137.53 48.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.646 0.779 . . . . 54.57 109.418 171.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.483 ' HG2' ' N ' ' A' ' 165' ' ' GLY . 0.4 OUTLIER -117.85 152.19 35.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.745 0.783 . . . . 94.76 112.135 -177.563 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' A' ' 164' ' ' ARG . . . . . . . . 0 CA--C 1.521 0.452 0 N-CA-C 110.316 -1.114 . . . . 85.23 110.316 165.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 113.596 0.962 . . . . 85.95 113.596 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.2 tp -120.06 119.09 32.34 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.286 1.035 . . . . 63.36 109.294 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.613 ' HG2' HG21 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -89.76 99.89 12.8 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 107.547 -1.279 . . . . 64.93 107.547 177.768 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.7 mp -102.61 142.91 25.54 Favored Pre-proline 0 C--N 1.32 -0.713 0 C-N-CA 111.81 -3.956 . . . . 51.1 110.886 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -67.12 138.37 47.19 Favored 'Trans proline' 0 N--CA 1.477 0.517 0 C-N-CA 120.119 0.546 . . . . 40.06 112.085 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.87 145.1 41.78 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.524 -0.871 . . . . 37.23 111.533 -173.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -77.26 144.27 38.31 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.671 -0.862 . . . . 38.53 108.671 165.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.56 105.11 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 106.401 -1.703 . . . . 32.12 106.401 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.82 117.84 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 107.891 -1.151 . . . . 40.9 107.891 -174.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -146.02 151.48 37.82 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.173 0.511 . . . . 47.18 110.172 -169.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.432 ' HG3' ' NH1' ' A' ' 9' ' ' ARG . 9.0 tp10 -62.89 -37.14 85.75 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.971 -1.013 . . . . 61.62 111.599 -171.016 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -101.23 -48.72 4.3 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.155 0.798 . . . . 67.3 113.155 -176.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 80.5 t -136.73 114.25 13.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 N-CA-C 107.679 -1.23 . . . . 38.11 107.679 -176.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.4 m -104.86 154.14 20.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.404 -0.221 . . . . 34.71 110.404 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.448 HD13 HG21 ' A' ' 157' ' ' VAL . 56.8 mt -121.95 132.71 54.69 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.438 0.695 . . . . 35.67 111.591 -172.365 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 10.7 mp -94.77 146.12 30.83 Favored Pre-proline 0 C--N 1.266 -3.065 0 C-N-CA 119.815 -0.754 . . . . 31.11 110.212 169.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -70.88 154.06 63.5 Favored 'Trans proline' 0 C--N 1.323 -0.769 0 CA-C-O 121.746 0.644 . . . . 31.26 111.377 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' ALA . . . . . 0.674 ' O ' ' HE3' ' A' ' 19' ' ' LYS . . . -63.18 132.92 53.37 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.13 -0.941 . . . . 31.68 109.164 177.345 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -77.92 -32.02 51.43 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 120.017 -0.673 . . . . 36.73 110.834 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' GLY . . . . . 0.531 ' HA3' ' CZ ' ' A' ' 191' ' ' PHE . . . -60.31 158.94 25.77 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.318 -0.944 . . . . 41.39 111.456 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 407' ' ' HOH . 5.1 tp10 -104.95 92.92 4.44 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.73 -0.841 . . . . 68.79 108.73 -178.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' PHE . . . . . 0.661 ' HZ ' ' HB2' ' A' ' 35' ' ' HIS . 1.1 m-85 -134.69 163.47 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 49.97 110.885 -176.831 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 80.4 p -80.75 162.39 24.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.894 -1.048 . . . . 39.6 109.666 170.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . 93.15 -144.2 16.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.417 -0.896 . . . . 43.57 113.081 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 110.11 156.43 15.74 Favored Glycine 0 N--CA 1.444 -0.823 0 N-CA-C 111.023 -0.831 . . . . 40.35 111.023 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' TRP . . . . . 0.501 ' HA ' ' CE3' ' A' ' 195' ' ' TRP . 4.7 t-105 -81.88 114.78 20.72 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.116 -0.698 . . . . 65.22 109.116 175.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -64.99 115.31 5.26 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.219 -0.446 . . . . 62.7 109.85 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' ILE . . . . . . . . . . . . . 41.2 mm -77.65 133.56 30.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.076 -0.712 . . . . 44.68 109.076 177.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 3.8 t -63.81 134.79 96.03 Favored Pre-proline 0 C--O 1.244 0.778 0 C-N-CA 120.099 -0.64 . . . . 62.95 111.493 -175.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.3 -5.41 13.79 Favored 'Trans proline' 0 C--O 1.24 0.598 0 N-CA-C 113.875 0.683 . . . . 65.76 113.875 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -103.29 9.84 37.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.822 0.737 . . . . 62.56 112.528 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 1.8 p -60.33 143.63 52.51 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.249 0.547 . . . . 64.39 111.228 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -89.1 38.78 0.91 Allowed 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.145 -0.48 . . . . 67.56 112.231 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 4.5 m -123.07 171.24 9.43 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.157 0.983 . . . . 62.62 110.375 -176.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -90.82 124.93 35.53 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.036 -0.727 . . . . 54.38 109.036 174.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.84 137.61 50.93 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.187 0.995 . . . . 48.15 109.365 -176.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -136.01 119.52 16.97 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 107.849 -1.167 . . . . 53.49 107.849 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.26 119.44 25.64 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 107.459 -1.311 . . . . 46.49 107.459 -175.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 209' ' ' GLY . . . -90.19 89.13 7.52 Favored 'General case' 0 C--N 1.312 -1.043 1 N-CA-C 99.249 -4.352 . . . . 57.62 99.249 178.635 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 208' ' ' ALA . . . . . . . . 0 C--O 1.271 2.452 1 CA-C-O 110.629 -5.539 . . . . 77.38 108.24 168.398 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.815 ' N ' ' O ' ' A' ' 403' ' ' HOH . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 122.456 1.122 . . . . 79.75 112.047 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.442 ' O ' ' HD3' ' A' ' 215' ' ' PRO . 3.4 t -119.83 116.5 50.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 105.405 -2.072 . . . . 55.03 105.405 166.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -92.2 111.18 49.0 Favored Pre-proline 0 C--O 1.241 0.643 0 CA-C-O 119.359 -0.353 . . . . 66.06 110.241 -166.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 213' ' ' VAL . 22.9 Cg_exo -68.47 133.17 27.32 Favored 'Trans proline' 0 C--O 1.235 0.329 0 CA-C-N 119.443 0.837 . . . . 50.12 110.855 175.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.483 1.177 0 C-N-CA 125.973 1.709 . . . . 70.68 114.444 -161.895 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . 0.531 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . 0.676 ' O ' ' OD1' ' A' ' 18' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . 0.815 ' O ' ' N ' ' A' ' 212' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . 0.426 ' O ' ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . 0.452 ' O ' ' N ' ' A' ' 190' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . 0.472 ' O ' ' NH1' ' A' ' 115' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . 0.445 ' O ' ' CE2' ' A' ' 195' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' HOH . . . . . 0.42 ' O ' ' NE2' ' A' ' 72' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_