data_6sz5_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 6sz5 _Structure_validation_residue.Date_analyzed 2019-12-06 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 ' 4' ' ' GLN . . . . . 0.915 ' OE1' ' O ' ' A' ' 602' ' ' HOH . 6.1 mp0 . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 109.964 -0.384 . . . . 100.03 109.964 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.88 135.12 45.07 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.558 -0.904 . . . . 73.61 108.558 175.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -69.46 179.07 2.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.504 -0.924 . . . . 69.89 108.504 171.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.08 -44.57 72.28 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.284 -0.636 . . . . 71.27 109.284 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -67.83 -46.4 71.94 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 119.495 -0.882 . . . . 68.8 109.114 -176.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -46.47 -50.4 16.99 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.596 -0.89 . . . . 49.86 108.596 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.66 -45.51 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 124.61 1.164 . . . . 43.3 109.785 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.21 81.11 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.732 -0.213 . . . . 45.56 110.991 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -80.7 -23.51 39.49 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 120.584 -0.446 . . . . 56.08 111.318 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -74.07 -30.32 62.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.776 -0.453 . . . . 44.63 109.776 173.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -66.74 -42.61 85.96 Favored 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 110.06 -0.348 . . . . 60.01 110.06 171.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -48.08 76.3 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 119.078 -0.486 . . . . 77.99 110.455 175.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.29 -48.88 77.95 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 124.01 0.819 . . . . 38.46 109.61 -176.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.87 -44.3 59.61 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 125.045 1.338 . . . . 36.01 111.102 175.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -58.52 -35.97 73.09 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 122.86 0.464 . . . . 43.94 111.58 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' O ' ' CE ' ' A' ' 22' ' ' LYS . 87.8 mt -68.45 -18.03 64.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.63 0.372 . . . . 46.32 111.782 176.812 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -90.52 -37.28 13.98 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.488 -0.758 . . . . 40.75 111.132 173.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -89.49 72.62 7.91 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.213 1.005 . . . . 40.95 109.71 -175.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' CE ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -53.32 -39.24 63.89 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.526 1.531 . . . . 49.84 113.361 -171.867 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -99.39 3.55 45.93 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 118.378 -0.82 . . . . 41.4 111.244 -171.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.31 21.56 68.5 Favored Glycine 0 C--N 1.348 1.196 0 C-N-CA 124.872 1.225 . . . . 36.22 115.899 172.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.4 -9.94 59.49 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.349 1.075 . . . . 43.0 112.004 -178.208 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.22 8.02 64.96 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 115.895 1.118 . . . . 37.72 115.895 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -133.64 151.88 51.77 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.854 1.327 . . . . 36.6 109.056 173.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.6 116.32 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.134 0.973 . . . . 34.98 109.4 169.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.8 p -88.39 167.27 13.64 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.342 -1.355 . . . . 29.99 107.342 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -56.5 -33.32 65.89 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.418 0.687 . . . . 30.25 112.022 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -75.89 -40.16 54.97 Favored 'General case' 0 C--O 1.193 -1.904 0 C-N-CA 125.0 1.32 . . . . 60.82 110.504 -172.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.56 -37.41 77.02 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.935 1.294 . . . . 29.87 109.35 176.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.92 -43.48 94.87 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 118.578 -1.249 . . . . 33.15 108.13 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.94 -30.68 63.03 Favored Glycine 0 C--O 1.271 2.431 0 CA-C-O 119.258 -0.746 . . . . 28.47 113.632 -173.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.1 m -60.03 -46.6 88.98 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.135 1.374 . . . . 31.69 109.687 170.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.66 -49.04 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 119.206 -0.426 . . . . 31.54 109.904 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' MET . . . . . 0.423 ' CE ' ' SD ' ' A' ' 52' ' ' MET . 61.6 mtt -65.77 -37.1 85.39 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.353 0.408 . . . . 43.41 112.072 -176.157 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -67.2 -30.46 70.41 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 117.748 -1.12 . . . . 38.14 110.641 174.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m -53.13 -35.33 59.58 Favored 'General case' 0 N--CA 1.52 3.041 0 C-N-CA 124.456 1.103 . . . . 32.55 112.078 170.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.3 mt -96.1 10.39 37.78 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 115.599 -0.728 . . . . 30.85 109.274 -171.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.15 14.43 69.13 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-O 119.627 -0.54 . . . . 30.96 112.86 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -94.61 172.16 8.35 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.169 -1.048 . . . . 55.64 108.169 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -155.33 61.77 3.07 Favored Pre-proline 0 N--CA 1.465 0.29 0 CA-C-N 115.507 -0.769 . . . . 39.08 110.123 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -71.83 151.48 57.18 Favored 'Trans proline' 0 C--O 1.201 -1.333 0 C-N-CA 122.94 2.427 . . . . 30.5 110.472 -176.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.7 p -75.17 172.76 11.82 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.466 -0.939 . . . . 27.34 108.466 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -63.49 -40.41 97.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.404 0.682 . . . . 43.5 110.608 174.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.28 81.91 Favored 'General case' 0 C--O 1.26 1.648 0 C-N-CA 119.721 -0.792 . . . . 31.52 111.494 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -66.78 -39.07 87.67 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.123 -0.695 . . . . 44.69 109.123 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.49 -46.18 89.63 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 122.24 -0.287 . . . . 33.34 110.261 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -63.19 -43.54 97.9 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-O 118.984 -0.531 . . . . 36.57 109.578 -176.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -60.04 -35.22 74.64 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.68 0.622 . . . . 40.36 112.68 175.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . 0.423 ' SD ' ' CE ' ' A' ' 37' ' ' MET . 77.4 mtp -72.77 -34.32 66.89 Favored 'General case' 0 C--O 1.19 -2.051 0 C-N-CA 119.937 -0.705 . . . . 50.51 109.836 179.959 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.05 -48.0 89.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 CA-C-O 121.333 0.587 . . . . 36.4 109.825 171.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -67.01 -30.61 70.76 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 121.231 -0.918 . . . . 46.54 109.712 -172.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -55.65 -28.03 53.15 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 118.726 -0.654 . . . . 65.35 111.233 174.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 t -118.5 -13.49 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-O 118.944 -0.551 . . . . 51.47 111.785 -166.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -79.79 90.43 5.26 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.037 0.935 . . . . 56.39 110.213 -175.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.01 88.76 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.141 0.576 . . . . 53.82 110.6 176.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -54.55 -58.25 8.21 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 125.41 1.484 . . . . 69.72 111.19 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.54 0.71 59.24 Favored Glycine 0 N--CA 1.479 1.527 0 C-N-CA 125.498 1.523 . . . . 56.28 112.971 -160.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.3 p30 -88.17 5.71 40.12 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.683 0.994 . . . . 59.54 113.683 -165.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.07 -16.96 57.79 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 117.809 -1.55 . . . . 50.06 114.47 172.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.1 p -131.31 166.21 21.71 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 118.627 1.214 . . . . 55.4 112.53 -172.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.7 mm -110.32 113.78 45.19 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.997 0 C-N-CA 124.316 1.046 . . . . 47.71 109.364 176.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -90.04 164.86 14.34 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 108.616 -0.883 . . . . 46.18 108.616 172.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -57.06 -44.37 99.73 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 119.711 -0.795 . . . . 36.14 111.88 -173.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -51.55 -43.39 50.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.121 1.881 . . . . 41.41 116.576 174.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -61.98 -37.64 85.55 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 118.617 0.644 . . . . 46.64 111.594 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -68.15 -48.95 63.96 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.613 1.165 . . . . 32.04 108.412 -174.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.23 -44.37 96.7 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 125.856 1.973 . . . . 40.27 110.21 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.1 m -51.54 -49.02 62.79 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 108.567 -0.901 . . . . 36.06 108.567 175.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.4 ttm -67.39 -36.67 81.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.458 -0.497 . . . . 68.16 111.124 -176.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.2 mmt -71.13 -36.72 72.21 Favored 'General case' 0 C--O 1.21 -1.001 0 C-N-CA 123.09 0.556 . . . . 54.33 111.232 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.64 98.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.9 0.48 . . . . 36.95 110.989 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -59.23 -44.35 92.32 Favored 'General case' 0 C--O 1.201 -1.465 0 O-C-N 120.826 -1.171 . . . . 67.23 108.978 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -67.73 -36.04 79.85 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 123.464 0.706 . . . . 59.72 111.044 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.79 -52.22 66.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.631 0.772 . . . . 65.45 110.361 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -62.93 -33.3 75.04 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 122.87 0.468 . . . . 74.68 110.804 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.77 -46.5 62.83 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 118.997 -0.525 . . . . 47.56 110.376 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.5 m -55.53 -45.06 77.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.399 1.88 . . . . 38.6 110.078 175.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -73.22 -32.84 65.01 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 123.601 0.761 . . . . 45.1 110.572 -175.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.9 m -62.88 -55.87 22.37 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.498 -0.751 . . . . 46.13 110.82 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -51.54 -43.3 62.3 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 124.369 1.068 . . . . 71.04 110.378 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -60.66 -44.37 96.52 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 108.577 -0.898 . . . . 58.69 108.577 -177.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -66.22 -41.11 90.57 Favored 'General case' 0 C--O 1.206 -1.204 0 N-CA-C 108.283 -1.006 . . . . 61.38 108.283 -178.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.82 -46.2 92.71 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.539 0 N-CA-C 108.86 -0.792 . . . . 40.16 108.86 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -61.76 -36.51 81.25 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.715 0.635 . . . . 35.1 110.163 -179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -68.1 -44.12 76.91 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 109.687 -0.486 . . . . 42.86 109.687 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.76 -49.06 71.77 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.681 -0.859 . . . . 33.24 108.681 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.88 -50.79 72.67 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 119.781 -0.768 . . . . 28.03 109.48 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . 0.486 ' NH2' ' O ' ' A' ' 604' ' ' HOH . 19.2 mtt180 -54.44 -39.0 66.97 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.356 0.662 . . . . 45.79 111.349 -178.905 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.0 -47.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 CA-C-O 121.594 0.712 . . . . 33.53 111.091 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -58.69 -43.19 89.9 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 115.604 -0.726 . . . . 55.55 110.712 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -77.62 72.53 4.16 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-O 121.75 0.786 . . . . 35.89 110.351 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -49.44 43.5 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 123.29 0.636 . . . . 62.89 111.965 -174.236 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -86.02 -8.74 57.72 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.988 -1.07 . . . . 38.85 111.118 -171.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.23 29.46 64.33 Favored Glycine 0 C--O 1.255 1.446 0 C-N-CA 124.663 1.125 . . . . 35.31 114.601 171.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -89.56 0.87 56.62 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.936 -0.744 . . . . 32.68 110.343 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.47 7.57 72.12 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 114.772 0.669 . . . . 32.35 114.772 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -133.17 134.95 44.79 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 123.811 0.844 . . . . 38.35 109.494 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.0 mt -84.74 116.2 27.95 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.184 0 N-CA-C 107.323 -1.362 . . . . 30.14 107.323 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 p -79.9 166.07 22.03 Favored 'General case' 0 N--CA 1.444 -0.735 0 O-C-N 125.301 1.626 . . . . 37.67 109.871 170.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.6 -37.64 82.08 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.399 -0.819 . . . . 36.14 110.748 174.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.21 94.42 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.488 0.715 . . . . 34.03 109.938 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -67.4 -38.15 84.22 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.698 -0.683 . . . . 37.79 111.556 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.2 tp -69.17 -35.71 76.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.388 0.613 . . . . 36.75 110.065 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ARG . . . . . 1.129 ' NH1' ' O ' ' A' ' 601' ' ' HOH . 0.0 OUTLIER -69.91 -39.93 75.89 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 118.323 -0.846 . . . . 55.01 109.141 -176.623 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -66.44 -38.17 86.81 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.182 0.993 . . . . 47.42 109.933 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.81 -51.35 41.38 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 C-N-CA 123.598 0.759 . . . . 52.57 109.84 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 26.0 mmt -53.13 -40.32 64.13 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.834 0.854 . . . . 50.87 111.47 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.6 p -63.06 -40.12 96.76 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.088 -1.078 . . . . 52.69 108.088 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -64.65 -20.21 66.16 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-O 118.837 -0.601 . . . . 61.38 111.023 -176.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.1 mp -90.16 5.5 46.64 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.107 0.963 . . . . 66.9 110.615 171.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.99 39.11 21.09 Favored Glycine 0 C--N 1.34 0.792 0 N-CA-C 111.822 -0.511 . . . . 55.47 111.822 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -127.08 101.61 6.61 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.854 -0.795 . . . . 85.9 108.854 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -77.11 97.76 4.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 107.095 -1.446 . . . . 75.57 107.095 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.8 mt -106.87 141.97 37.24 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.114 -0.328 . . . . 49.37 110.114 -179.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.2 p -76.93 164.97 25.28 Favored 'General case' 0 N--CA 1.433 -1.294 0 O-C-N 124.944 1.402 . . . . 40.93 110.568 166.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -57.71 -37.96 74.43 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.042 0.937 . . . . 38.71 111.948 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.14 -37.67 86.25 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.857 -1.152 . . . . 72.81 109.746 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.67 -41.41 45.68 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.182 -1.044 . . . . 64.36 108.182 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.1 -43.19 97.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-N 115.657 -0.701 . . . . 34.23 110.992 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -64.0 -34.78 78.76 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.071 -0.49 . . . . 41.78 110.649 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.84 -37.09 86.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.685 0.394 . . . . 49.51 110.383 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 88.2 mtp -63.5 -44.11 95.29 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.157 -1.053 . . . . 35.89 108.157 174.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.0 mm -57.19 -50.3 77.04 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 N-CA-C 107.929 -1.138 . . . . 35.96 107.929 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -58.31 -47.81 82.51 Favored 'General case' 0 C--O 1.195 -1.777 0 O-C-N 123.347 0.404 . . . . 61.31 110.223 -174.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -57.04 -34.5 68.28 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 120.932 -1.105 . . . . 54.45 112.277 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.14 -14.41 33.68 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.407 1.083 . . . . 34.1 113.035 -172.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -96.65 99.28 10.9 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 120.97 -1.082 . . . . 38.41 109.734 -162.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 37.5 pt -90.12 -22.86 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 109.365 -0.606 . . . . 36.18 109.365 -170.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -102.34 -2.44 28.92 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.324 0.511 . . . . 44.48 111.048 -178.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 79.29 12.55 83.79 Favored Glycine 0 N--CA 1.477 1.372 0 N-CA-C 115.672 1.029 . . . . 42.94 115.672 172.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -88.33 -2.16 58.44 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.709 1.755 . . . . 39.88 112.295 -169.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.1 13.87 70.57 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 123.58 0.61 . . . . 34.03 112.993 173.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -141.88 158.92 43.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 107.993 -1.114 . . . . 45.51 107.993 -178.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.56 116.59 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.542 -0.91 . . . . 29.66 108.542 175.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -85.79 171.34 11.64 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 123.42 1.581 . . . . 30.83 110.211 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.79 -43.18 94.56 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 120.636 -1.29 . . . . 36.05 112.885 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -63.65 -32.25 73.67 Favored 'General case' 0 C--O 1.176 -2.814 0 O-C-N 120.236 -1.54 . . . . 53.13 111.732 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -72.75 -39.91 66.47 Favored 'General case' 0 C--O 1.194 -1.849 0 O-C-N 120.715 -1.241 . . . . 33.52 109.887 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.13 -49.24 78.08 Favored 'General case' 0 N--CA 1.433 -1.301 0 O-C-N 121.471 -0.768 . . . . 29.03 111.107 175.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 22.1 t -57.8 -45.48 87.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 109.2 -0.667 . . . . 29.32 109.2 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -54.47 -46.82 73.43 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 122.514 0.326 . . . . 33.4 110.317 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.3 mmm -66.98 -24.71 66.07 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.548 -0.72 . . . . 47.21 111.908 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.2 mmt -92.94 3.11 56.3 Favored 'General case' 0 C--O 1.19 -2.078 0 O-C-N 120.756 -1.215 . . . . 45.44 109.942 -177.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.478 0.974 0 CA-C-N 119.238 0.926 . . . . 46.53 109.354 173.378 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 647' ' ' TRP . . . . . . . . . . . . . 43.6 m95 . . . . . 0 N--CA 1.521 3.096 0 N-CA-C 109.042 -0.725 . . . . 40.84 109.042 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 648' ' ' SER . . . . . . . . . . . . . 2.6 t -31.78 -60.32 0.25 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.89 1.676 . . . . 52.16 111.158 162.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 649' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -35.29 74.69 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 109.263 -0.643 . . . . 63.54 109.263 -172.186 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.95 -45.29 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 107.828 -1.175 . . . . 39.81 107.828 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -58.13 -51.71 68.57 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 108.868 -0.79 . . . . 51.83 108.868 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -53.4 -47.1 69.84 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.845 0.831 . . . . 59.37 110.022 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 653' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -67.61 -44.01 79.09 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.69 -0.686 . . . . 58.82 111.32 -172.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.16 -38.5 78.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 N-CA-C 109.954 -0.387 . . . . 44.43 109.954 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 655' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.06 76.65 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.357 0.599 . . . . 43.3 109.687 171.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 656' ' ' ALA . . . . . . . . . . . . . . . -64.32 -7.53 9.87 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-O 117.326 -1.321 . . . . 46.14 111.89 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 657' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 N--CA 1.492 1.67 0 CA-C-N 119.435 1.016 . . . . 67.68 111.274 179.543 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 647' ' ' TRP . . . . . . . . . . . . . 18.6 m95 . . . . . 0 N--CA 1.518 2.933 0 N-CA-C 110.517 -0.179 . . . . 65.49 110.517 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 648' ' ' SER . . . . . . . . . . . . . 52.3 p -57.12 -23.77 49.48 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 122.816 0.446 . . . . 81.92 110.923 172.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 649' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -63.53 -44.87 92.97 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.534 1.134 . . . . 76.45 111.31 169.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 650' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.13 -43.07 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 115.258 -0.883 . . . . 66.01 109.51 -178.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 651' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -65.19 -42.78 93.24 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 123.67 0.606 . . . . 74.38 111.058 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -71.99 -28.98 63.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.691 0.797 . . . . 70.37 110.633 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 653' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -66.44 -42.74 87.21 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 122.992 0.517 . . . . 77.54 110.515 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 654' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.58 -36.89 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 123.764 0.825 . . . . 63.77 111.715 -176.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 655' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.34 83.7 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.689 -0.486 . . . . 57.24 109.689 171.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 656' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.19 0 C-N-CA 123.801 0.84 . . . . 62.52 110.208 171.777 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . 1.129 ' O ' ' NH1' ' A' ' 107' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . 0.915 ' O ' ' OE1' ' A' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . 0.486 ' O ' ' NH2' ' A' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . 0.915 ' OE1' ' O ' ' A' ' 602' ' ' HOH . 6.1 mp0 . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 109.964 -0.384 . . . . 100.03 109.964 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.88 135.12 45.07 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.558 -0.904 . . . . 73.61 108.558 175.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -69.46 179.07 2.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.504 -0.924 . . . . 69.89 108.504 171.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.08 -44.57 72.28 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.284 -0.636 . . . . 71.27 109.284 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -67.83 -46.4 71.94 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 119.495 -0.882 . . . . 68.8 109.114 -176.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -46.47 -50.4 16.99 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.596 -0.89 . . . . 49.86 108.596 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.66 -45.51 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 124.61 1.164 . . . . 43.3 109.785 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.21 81.11 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.732 -0.213 . . . . 45.56 110.991 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -80.7 -23.51 39.49 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 120.584 -0.446 . . . . 56.08 111.318 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -74.07 -30.32 62.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.776 -0.453 . . . . 44.63 109.776 173.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -66.74 -42.61 85.96 Favored 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 110.06 -0.348 . . . . 60.01 110.06 171.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -48.08 76.3 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 119.078 -0.486 . . . . 77.99 110.455 175.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.29 -48.88 77.95 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 124.01 0.819 . . . . 38.46 109.61 -176.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.87 -44.3 59.61 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 125.045 1.338 . . . . 36.01 111.102 175.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -58.52 -35.97 73.09 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 122.86 0.464 . . . . 43.94 111.58 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' HE3' ' A' ' 22' ' ' LYS . 87.8 mt -68.45 -18.03 64.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.63 0.372 . . . . 46.32 111.782 176.812 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -90.52 -37.28 13.98 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.488 -0.758 . . . . 40.75 111.132 173.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -89.49 72.62 7.91 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.213 1.005 . . . . 40.95 109.71 -175.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HE3' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -53.32 -39.24 63.89 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.526 1.531 . . . . 49.84 113.361 -171.867 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -99.39 3.55 45.93 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 118.378 -0.82 . . . . 41.4 111.244 -171.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.31 21.56 68.5 Favored Glycine 0 C--N 1.348 1.196 0 C-N-CA 124.872 1.225 . . . . 36.22 115.899 172.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.4 -9.94 59.49 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.349 1.075 . . . . 43.0 112.004 -178.208 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.22 8.02 64.96 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 115.895 1.118 . . . . 37.72 115.895 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -133.64 151.88 51.77 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.854 1.327 . . . . 36.6 109.056 173.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.6 116.32 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.134 0.973 . . . . 34.98 109.4 169.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.8 p -88.39 167.27 13.64 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.342 -1.355 . . . . 29.99 107.342 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -56.5 -33.32 65.89 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.418 0.687 . . . . 30.25 112.022 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -75.89 -40.16 54.97 Favored 'General case' 0 C--O 1.193 -1.904 0 C-N-CA 125.0 1.32 . . . . 60.82 110.504 -172.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.56 -37.41 77.02 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.935 1.294 . . . . 29.87 109.35 176.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.92 -43.48 94.87 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 118.578 -1.249 . . . . 33.15 108.13 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.94 -30.68 63.03 Favored Glycine 0 C--O 1.271 2.431 0 CA-C-O 119.258 -0.746 . . . . 28.47 113.632 -173.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.1 m -60.03 -46.6 88.98 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.135 1.374 . . . . 31.69 109.687 170.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.66 -49.04 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 119.206 -0.426 . . . . 31.54 109.904 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' MET . . . . . 0.461 ' HE1' ' SD ' ' A' ' 52' ' ' MET . 61.6 mtt -65.77 -37.1 85.39 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.353 0.408 . . . . 43.41 112.072 -176.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -67.2 -30.46 70.41 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 117.748 -1.12 . . . . 38.14 110.641 174.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m -53.13 -35.33 59.58 Favored 'General case' 0 N--CA 1.52 3.041 0 C-N-CA 124.456 1.103 . . . . 32.55 112.078 170.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.3 mt -96.1 10.39 37.78 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 115.599 -0.728 . . . . 30.85 109.274 -171.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.15 14.43 69.13 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-O 119.627 -0.54 . . . . 30.96 112.86 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -94.61 172.16 8.35 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.169 -1.048 . . . . 55.64 108.169 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -155.33 61.77 3.07 Favored Pre-proline 0 N--CA 1.465 0.29 0 CA-C-N 115.507 -0.769 . . . . 39.08 110.123 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -71.83 151.48 57.18 Favored 'Trans proline' 0 C--O 1.201 -1.333 0 C-N-CA 122.94 2.427 . . . . 30.5 110.472 -176.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.7 p -75.17 172.76 11.82 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.466 -0.939 . . . . 27.34 108.466 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -63.49 -40.41 97.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.404 0.682 . . . . 43.5 110.608 174.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.28 81.91 Favored 'General case' 0 C--O 1.26 1.648 0 C-N-CA 119.721 -0.792 . . . . 31.52 111.494 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -66.78 -39.07 87.67 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.123 -0.695 . . . . 44.69 109.123 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.49 -46.18 89.63 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 122.24 -0.287 . . . . 33.34 110.261 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -63.19 -43.54 97.9 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-O 118.984 -0.531 . . . . 36.57 109.578 -176.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -60.04 -35.22 74.64 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.68 0.622 . . . . 40.36 112.68 175.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . 0.461 ' SD ' ' HE1' ' A' ' 37' ' ' MET . 77.4 mtp -72.77 -34.32 66.89 Favored 'General case' 0 C--O 1.19 -2.051 0 C-N-CA 119.937 -0.705 . . . . 50.51 109.836 179.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.05 -48.0 89.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 CA-C-O 121.333 0.587 . . . . 36.4 109.825 171.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -67.01 -30.61 70.76 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 121.231 -0.918 . . . . 46.54 109.712 -172.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -55.65 -28.03 53.15 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 118.726 -0.654 . . . . 65.35 111.233 174.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HB ' HD12 ' A' ' 64' ' ' ILE . 19.8 t -118.5 -13.49 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-O 118.944 -0.551 . . . . 51.47 111.785 -166.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -79.79 90.43 5.26 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.037 0.935 . . . . 56.39 110.213 -175.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.01 88.76 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.141 0.576 . . . . 53.82 110.6 176.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -54.55 -58.25 8.21 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 125.41 1.484 . . . . 69.72 111.19 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.54 0.71 59.24 Favored Glycine 0 N--CA 1.479 1.527 0 C-N-CA 125.498 1.523 . . . . 56.28 112.971 -160.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.3 p30 -88.17 5.71 40.12 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.683 0.994 . . . . 59.54 113.683 -165.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.07 -16.96 57.79 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 117.809 -1.55 . . . . 50.06 114.47 172.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . 0.486 HG21 ' O ' ' A' ' 618' ' ' HOH . 81.1 p -131.31 166.21 21.71 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 118.627 1.214 . . . . 55.4 112.53 -172.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . 0.403 HD12 ' HB ' ' A' ' 56' ' ' VAL . 40.7 mm -110.32 113.78 45.19 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.997 0 C-N-CA 124.316 1.046 . . . . 47.71 109.364 176.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -90.04 164.86 14.34 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 108.616 -0.883 . . . . 46.18 108.616 172.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -57.06 -44.37 99.73 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 119.711 -0.795 . . . . 36.14 111.88 -173.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -51.55 -43.39 50.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.121 1.881 . . . . 41.41 116.576 174.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -61.98 -37.64 85.55 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 118.617 0.644 . . . . 46.64 111.594 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -68.15 -48.95 63.96 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.613 1.165 . . . . 32.04 108.412 -174.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.23 -44.37 96.7 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 125.856 1.973 . . . . 40.27 110.21 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.1 m -51.54 -49.02 62.79 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 108.567 -0.901 . . . . 36.06 108.567 175.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.4 ttm -67.39 -36.67 81.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.458 -0.497 . . . . 68.16 111.124 -176.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.2 mmt -71.13 -36.72 72.21 Favored 'General case' 0 C--O 1.21 -1.001 0 C-N-CA 123.09 0.556 . . . . 54.33 111.232 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.64 98.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.9 0.48 . . . . 36.95 110.989 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -59.23 -44.35 92.32 Favored 'General case' 0 C--O 1.201 -1.465 0 O-C-N 120.826 -1.171 . . . . 67.23 108.978 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 627' ' ' HOH . 10.2 mmtp -67.73 -36.04 79.85 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 123.464 0.706 . . . . 59.72 111.044 -177.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.79 -52.22 66.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.631 0.772 . . . . 65.45 110.361 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -62.93 -33.3 75.04 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 122.87 0.468 . . . . 74.68 110.804 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.77 -46.5 62.83 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 118.997 -0.525 . . . . 47.56 110.376 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.5 m -55.53 -45.06 77.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.399 1.88 . . . . 38.6 110.078 175.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -73.22 -32.84 65.01 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 123.601 0.761 . . . . 45.1 110.572 -175.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.9 m -62.88 -55.87 22.37 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.498 -0.751 . . . . 46.13 110.82 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -51.54 -43.3 62.3 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 124.369 1.068 . . . . 71.04 110.378 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -60.66 -44.37 96.52 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 108.577 -0.898 . . . . 58.69 108.577 -177.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -66.22 -41.11 90.57 Favored 'General case' 0 C--O 1.206 -1.204 0 N-CA-C 108.283 -1.006 . . . . 61.38 108.283 -178.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.82 -46.2 92.71 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.539 0 N-CA-C 108.86 -0.792 . . . . 40.16 108.86 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HG3' ' OH ' ' A' ' 139' ' ' TYR . 20.3 mtt-85 -61.76 -36.51 81.25 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.715 0.635 . . . . 35.1 110.163 -179.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -68.1 -44.12 76.91 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 109.687 -0.486 . . . . 42.86 109.687 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' O ' ' HD1' ' A' ' 93' ' ' PHE . . . -54.76 -49.06 71.77 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.681 -0.859 . . . . 33.24 108.681 175.625 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.88 -50.79 72.67 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 119.781 -0.768 . . . . 28.03 109.48 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.486 ' NH2' ' O ' ' A' ' 604' ' ' HOH . 19.2 mtt180 -54.44 -39.0 66.97 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.356 0.662 . . . . 45.79 111.349 -178.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.0 -47.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 CA-C-O 121.594 0.712 . . . . 33.53 111.091 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PHE . . . . . 0.758 ' CE2' HG11 ' A' ' 109' ' ' VAL . 10.3 m-85 -58.69 -43.19 89.9 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 115.604 -0.726 . . . . 55.55 110.712 176.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -77.62 72.53 4.16 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-O 121.75 0.786 . . . . 35.89 110.351 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -49.44 43.5 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 123.29 0.636 . . . . 62.89 111.965 -174.236 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -86.02 -8.74 57.72 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.988 -1.07 . . . . 38.85 111.118 -171.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.23 29.46 64.33 Favored Glycine 0 C--O 1.255 1.446 0 C-N-CA 124.663 1.125 . . . . 35.31 114.601 171.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -89.56 0.87 56.62 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.936 -0.744 . . . . 32.68 110.343 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.47 7.57 72.12 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 114.772 0.669 . . . . 32.35 114.772 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -133.17 134.95 44.79 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 123.811 0.844 . . . . 38.35 109.494 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.0 mt -84.74 116.2 27.95 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.184 0 N-CA-C 107.323 -1.362 . . . . 30.14 107.323 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 p -79.9 166.07 22.03 Favored 'General case' 0 N--CA 1.444 -0.735 0 O-C-N 125.301 1.626 . . . . 37.67 109.871 170.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.6 -37.64 82.08 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.399 -0.819 . . . . 36.14 110.748 174.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.21 94.42 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.488 0.715 . . . . 34.03 109.938 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -67.4 -38.15 84.22 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.698 -0.683 . . . . 37.79 111.556 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.2 tp -69.17 -35.71 76.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.388 0.613 . . . . 36.75 110.065 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ARG . . . . . 1.129 ' NH1' ' O ' ' A' ' 601' ' ' HOH . 0.0 OUTLIER -69.91 -39.93 75.89 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 118.323 -0.846 . . . . 55.01 109.141 -176.623 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -66.44 -38.17 86.81 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.182 0.993 . . . . 48.98 109.933 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . 0.758 HG11 ' CE2' ' A' ' 93' ' ' PHE . 1.1 t -69.81 -51.35 41.38 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 C-N-CA 123.598 0.759 . . . . 52.57 109.84 -179.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' MET . . . . . 0.603 ' HE2' HG12 ' A' ' 109' ' ' VAL . 26.0 mmt -53.13 -40.32 64.13 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.834 0.854 . . . . 50.87 111.47 179.58 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.6 p -63.06 -40.12 96.76 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.088 -1.078 . . . . 52.69 108.088 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -64.65 -20.21 66.16 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-O 118.837 -0.601 . . . . 61.38 111.023 -176.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . 0.409 HD22 ' HE1' ' A' ' 110' ' ' MET . 4.1 mp -90.16 5.5 46.64 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.107 0.963 . . . . 66.9 110.615 171.572 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.99 39.11 21.09 Favored Glycine 0 C--N 1.34 0.792 0 N-CA-C 111.822 -0.511 . . . . 55.47 111.822 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -127.08 101.61 6.61 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.854 -0.795 . . . . 85.9 108.854 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -77.11 97.76 4.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 107.095 -1.446 . . . . 75.57 107.095 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.8 mt -106.87 141.97 37.24 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.114 -0.328 . . . . 49.37 110.114 -179.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.2 p -76.93 164.97 25.28 Favored 'General case' 0 N--CA 1.433 -1.294 0 O-C-N 124.944 1.402 . . . . 40.93 110.568 166.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -57.71 -37.96 74.43 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.042 0.937 . . . . 38.71 111.948 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.14 -37.67 86.25 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.857 -1.152 . . . . 72.81 109.746 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.67 -41.41 45.68 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.182 -1.044 . . . . 64.36 108.182 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 107' ' ' ARG . 25.4 t -62.1 -43.19 97.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-N 115.657 -0.701 . . . . 34.23 110.992 177.058 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -64.0 -34.78 78.76 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.071 -0.49 . . . . 41.78 110.649 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.84 -37.09 86.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.685 0.394 . . . . 49.51 110.383 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 88.2 mtp -63.5 -44.11 95.29 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.157 -1.053 . . . . 35.89 108.157 174.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.0 mm -57.19 -50.3 77.04 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 N-CA-C 107.929 -1.138 . . . . 35.96 107.929 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -58.31 -47.81 82.51 Favored 'General case' 0 C--O 1.195 -1.777 0 O-C-N 123.347 0.404 . . . . 61.31 110.223 -174.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -57.04 -34.5 68.28 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 120.932 -1.105 . . . . 54.45 112.277 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.14 -14.41 33.68 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.407 1.083 . . . . 34.1 113.035 -172.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -96.65 99.28 10.9 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 120.97 -1.082 . . . . 38.41 109.734 -162.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ILE . . . . . 0.456 HG12 ' HG2' ' A' ' 141' ' ' GLU . 37.5 pt -90.12 -22.86 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 109.365 -0.606 . . . . 36.18 109.365 -170.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -102.34 -2.44 28.92 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.324 0.511 . . . . 44.48 111.048 -178.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 79.29 12.55 83.79 Favored Glycine 0 N--CA 1.477 1.372 0 N-CA-C 115.672 1.029 . . . . 42.94 115.672 172.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -88.33 -2.16 58.44 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.709 1.755 . . . . 39.88 112.295 -169.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.1 13.87 70.57 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 123.58 0.61 . . . . 34.03 112.993 173.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -141.88 158.92 43.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 107.993 -1.114 . . . . 45.51 107.993 -178.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.56 116.59 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.542 -0.91 . . . . 29.66 108.542 175.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -85.79 171.34 11.64 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 123.42 1.581 . . . . 30.83 110.211 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' TYR . . . . . 0.419 ' OH ' ' HG3' ' A' ' 87' ' ' ARG . 43.1 t80 -59.79 -43.18 94.56 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 120.636 -1.29 . . . . 36.05 112.885 -179.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' GLU . . . . . 0.422 ' HA ' ' OE1' ' A' ' 140' ' ' GLU . 24.9 tp10 -63.65 -32.25 73.67 Favored 'General case' 0 C--O 1.176 -2.814 0 O-C-N 120.236 -1.54 . . . . 53.13 111.732 178.367 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' GLU . . . . . 0.456 ' HG2' HG12 ' A' ' 131' ' ' ILE . 70.9 mt-10 -72.75 -39.91 66.47 Favored 'General case' 0 C--O 1.194 -1.849 0 O-C-N 120.715 -1.241 . . . . 33.52 109.887 178.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.13 -49.24 78.08 Favored 'General case' 0 N--CA 1.433 -1.301 0 O-C-N 121.471 -0.768 . . . . 29.03 111.107 175.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 147' ' ' THR . 22.1 t -57.8 -45.48 87.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 109.2 -0.667 . . . . 29.32 109.2 -179.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -54.47 -46.82 73.43 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 122.514 0.326 . . . . 33.4 110.317 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.3 mmm -66.98 -24.71 66.07 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.548 -0.72 . . . . 47.21 111.908 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.2 mmt -92.94 3.11 56.3 Favored 'General case' 0 C--O 1.19 -2.078 0 O-C-N 120.756 -1.215 . . . . 45.44 109.942 -177.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 143' ' ' VAL . 1.4 p . . . . . 0 N--CA 1.478 0.974 0 CA-C-N 119.238 0.926 . . . . 46.53 109.354 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 647' ' ' TRP . . . . . . . . . . . . . 43.6 m95 . . . . . 0 N--CA 1.521 3.096 0 N-CA-C 109.042 -0.725 . . . . 40.84 109.042 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 648' ' ' SER . . . . . . . . . . . . . 2.6 t -31.78 -60.32 0.25 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.89 1.676 . . . . 52.16 111.158 162.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 649' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -35.29 74.69 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 109.263 -0.643 . . . . 63.54 109.263 -172.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.95 -45.29 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 107.828 -1.175 . . . . 39.81 107.828 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -58.13 -51.71 68.57 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 108.868 -0.79 . . . . 51.83 108.868 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -53.4 -47.1 69.84 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.845 0.831 . . . . 59.37 110.022 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 653' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -67.61 -44.01 79.09 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.69 -0.686 . . . . 58.82 111.32 -172.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.16 -38.5 78.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 N-CA-C 109.954 -0.387 . . . . 44.43 109.954 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 655' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.06 76.65 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.357 0.599 . . . . 43.3 109.687 171.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 656' ' ' ALA . . . . . . . . . . . . . . . -64.32 -7.53 9.87 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-O 117.326 -1.321 . . . . 46.14 111.89 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 657' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 N--CA 1.492 1.67 0 CA-C-N 119.435 1.016 . . . . 67.68 111.274 179.543 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 647' ' ' TRP . . . . . . . . . . . . . 18.6 m95 . . . . . 0 N--CA 1.518 2.933 0 N-CA-C 110.517 -0.179 . . . . 65.49 110.517 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 648' ' ' SER . . . . . . . . . . . . . 52.3 p -57.12 -23.77 49.48 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 122.816 0.446 . . . . 81.92 110.923 172.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 649' ' ' LYS . . . . . 0.508 ' HE2' ' O ' ' C' ' 701' ' ' HOH . 1.2 mttt -63.53 -44.87 92.97 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.534 1.134 . . . . 76.45 111.31 169.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 650' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.13 -43.07 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 115.258 -0.883 . . . . 66.01 109.51 -178.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 651' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -65.19 -42.78 93.24 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 123.67 0.606 . . . . 74.38 111.058 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -71.99 -28.98 63.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.691 0.797 . . . . 70.37 110.633 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 653' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -66.44 -42.74 87.21 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 122.992 0.517 . . . . 77.54 110.515 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 654' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.58 -36.89 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 123.764 0.825 . . . . 63.77 111.715 -176.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 655' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.34 83.7 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.689 -0.486 . . . . 57.24 109.689 171.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 656' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.19 0 C-N-CA 123.801 0.84 . . . . 62.52 110.208 171.777 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 504' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . 1.129 ' O ' ' NH1' ' A' ' 107' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . 0.915 ' O ' ' OE1' ' A' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . 0.486 ' O ' ' NH2' ' A' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 618' ' ' HOH . . . . . 0.486 ' O ' HG21 ' A' ' 63' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 627' ' ' HOH . . . . . 0.401 ' O ' ' HE3' ' A' ' 76' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 701' ' ' HOH . . . . . 0.508 ' O ' ' HE2' ' C' ' 649' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.915 ' OE1' ' O ' ' A' ' 602' ' ' HOH . 6.1 mp0 . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 109.964 -0.384 . . . . 100.03 109.964 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.88 135.12 45.07 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.558 -0.904 . . . . 73.61 108.558 175.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -69.46 179.07 2.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.504 -0.924 . . . . 69.89 108.504 171.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.08 -44.57 72.28 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.284 -0.636 . . . . 71.27 109.284 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -67.83 -46.4 71.94 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 119.495 -0.882 . . . . 68.8 109.114 -176.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -46.47 -50.4 16.99 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.596 -0.89 . . . . 49.86 108.596 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.66 -45.51 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 124.61 1.164 . . . . 43.3 109.785 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.21 81.11 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.732 -0.213 . . . . 45.56 110.991 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -80.7 -23.51 39.49 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 120.584 -0.446 . . . . 56.08 111.318 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -74.07 -30.32 62.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.776 -0.453 . . . . 44.63 109.776 173.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -66.74 -42.61 85.96 Favored 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 110.06 -0.348 . . . . 60.01 110.06 171.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -48.08 76.3 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 119.078 -0.486 . . . . 77.99 110.455 175.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.29 -48.88 77.95 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 124.01 0.819 . . . . 38.46 109.61 -176.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.87 -44.3 59.61 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 125.045 1.338 . . . . 36.01 111.102 175.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -58.52 -35.97 73.09 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 122.86 0.464 . . . . 43.94 111.58 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' HE3' ' A' ' 22' ' ' LYS . 87.8 mt -68.45 -18.03 64.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.63 0.372 . . . . 46.32 111.782 176.812 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -90.52 -37.28 13.98 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.488 -0.758 . . . . 40.75 111.132 173.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -89.49 72.62 7.91 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.213 1.005 . . . . 40.95 109.71 -175.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HE3' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -53.32 -39.24 63.89 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.526 1.531 . . . . 49.84 113.361 -171.867 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -99.39 3.55 45.93 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 118.378 -0.82 . . . . 41.4 111.244 -171.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.31 21.56 68.5 Favored Glycine 0 C--N 1.348 1.196 0 C-N-CA 124.872 1.225 . . . . 36.22 115.899 172.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.4 -9.94 59.49 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.349 1.075 . . . . 43.0 112.004 -178.208 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.22 8.02 64.96 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 115.895 1.118 . . . . 37.72 115.895 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -133.64 151.88 51.77 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.854 1.327 . . . . 36.6 109.056 173.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.6 116.32 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.134 0.973 . . . . 34.98 109.4 169.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.8 p -88.39 167.27 13.64 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.342 -1.355 . . . . 29.99 107.342 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -56.5 -33.32 65.89 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.418 0.687 . . . . 30.25 112.022 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -75.89 -40.16 54.97 Favored 'General case' 0 C--O 1.193 -1.904 0 C-N-CA 125.0 1.32 . . . . 60.82 110.504 -172.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.56 -37.41 77.02 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.935 1.294 . . . . 29.87 109.35 176.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.92 -43.48 94.87 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 118.578 -1.249 . . . . 33.15 108.13 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.94 -30.68 63.03 Favored Glycine 0 C--O 1.271 2.431 0 CA-C-O 119.258 -0.746 . . . . 28.47 113.632 -173.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.1 m -60.03 -46.6 88.98 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.135 1.374 . . . . 31.69 109.687 170.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.66 -49.04 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 119.206 -0.426 . . . . 31.54 109.904 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' MET . . . . . 0.461 ' HE1' ' SD ' ' A' ' 52' ' ' MET . 61.6 mtt -65.77 -37.1 85.39 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.353 0.408 . . . . 43.41 112.072 -176.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -67.2 -30.46 70.41 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 117.748 -1.12 . . . . 38.14 110.641 174.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m -53.13 -35.33 59.58 Favored 'General case' 0 N--CA 1.52 3.041 0 C-N-CA 124.456 1.103 . . . . 32.55 112.078 170.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.3 mt -96.1 10.39 37.78 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 115.599 -0.728 . . . . 30.85 109.274 -171.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.15 14.43 69.13 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-O 119.627 -0.54 . . . . 30.96 112.86 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -94.61 172.16 8.35 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.169 -1.048 . . . . 55.64 108.169 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -155.33 61.77 3.07 Favored Pre-proline 0 N--CA 1.465 0.29 0 CA-C-N 115.507 -0.769 . . . . 39.08 110.123 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -71.83 151.48 57.18 Favored 'Trans proline' 0 C--O 1.201 -1.333 0 C-N-CA 122.94 2.427 . . . . 30.5 110.472 -176.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.7 p -75.17 172.76 11.82 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.466 -0.939 . . . . 27.34 108.466 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -63.49 -40.41 97.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.404 0.682 . . . . 43.5 110.608 174.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.28 81.91 Favored 'General case' 0 C--O 1.26 1.648 0 C-N-CA 119.721 -0.792 . . . . 31.52 111.494 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -66.78 -39.07 87.67 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.123 -0.695 . . . . 44.69 109.123 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.49 -46.18 89.63 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 122.24 -0.287 . . . . 33.34 110.261 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -63.19 -43.54 97.9 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-O 118.984 -0.531 . . . . 36.57 109.578 -176.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -60.04 -35.22 74.64 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.68 0.622 . . . . 40.36 112.68 175.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . 0.461 ' SD ' ' HE1' ' A' ' 37' ' ' MET . 77.4 mtp -72.77 -34.32 66.89 Favored 'General case' 0 C--O 1.19 -2.051 0 C-N-CA 119.937 -0.705 . . . . 50.51 109.836 179.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.05 -48.0 89.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 CA-C-O 121.333 0.587 . . . . 36.4 109.825 171.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -67.01 -30.61 70.76 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 121.231 -0.918 . . . . 46.54 109.712 -172.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -55.65 -28.03 53.15 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 118.726 -0.654 . . . . 65.35 111.233 174.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HB ' HD12 ' A' ' 64' ' ' ILE . 19.8 t -118.5 -13.49 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-O 118.944 -0.551 . . . . 51.47 111.785 -166.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -79.79 90.43 5.26 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.037 0.935 . . . . 56.39 110.213 -175.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.01 88.76 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.141 0.576 . . . . 53.82 110.6 176.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -54.55 -58.25 8.21 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 125.41 1.484 . . . . 69.72 111.19 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.54 0.71 59.24 Favored Glycine 0 N--CA 1.479 1.527 0 C-N-CA 125.498 1.523 . . . . 56.28 112.971 -160.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.3 p30 -88.17 5.71 40.12 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.683 0.994 . . . . 59.54 113.683 -165.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.07 -16.96 57.79 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 117.809 -1.55 . . . . 50.06 114.47 172.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . 0.486 HG21 ' O ' ' A' ' 618' ' ' HOH . 81.1 p -131.31 166.21 21.71 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 118.627 1.214 . . . . 55.4 112.53 -172.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.403 HD12 ' HB ' ' A' ' 56' ' ' VAL . 40.7 mm -110.32 113.78 45.19 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.997 0 C-N-CA 124.316 1.046 . . . . 47.71 109.364 176.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -90.04 164.86 14.34 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 108.616 -0.883 . . . . 46.18 108.616 172.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -57.06 -44.37 99.73 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 119.711 -0.795 . . . . 36.14 111.88 -173.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -51.55 -43.39 50.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.121 1.881 . . . . 41.41 116.576 174.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -61.98 -37.64 85.55 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 118.617 0.644 . . . . 46.64 111.594 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -68.15 -48.95 63.96 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.613 1.165 . . . . 32.04 108.412 -174.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.23 -44.37 96.7 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 125.856 1.973 . . . . 40.27 110.21 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.1 m -51.54 -49.02 62.79 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 108.567 -0.901 . . . . 36.06 108.567 175.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.4 ttm -67.39 -36.67 81.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.458 -0.497 . . . . 68.16 111.124 -176.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.2 mmt -71.13 -36.72 72.21 Favored 'General case' 0 C--O 1.21 -1.001 0 C-N-CA 123.09 0.556 . . . . 54.33 111.232 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.64 98.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.9 0.48 . . . . 36.95 110.989 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -59.23 -44.35 92.32 Favored 'General case' 0 C--O 1.201 -1.465 0 O-C-N 120.826 -1.171 . . . . 67.23 108.978 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 627' ' ' HOH . 10.2 mmtp -67.73 -36.04 79.85 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 123.464 0.706 . . . . 59.72 111.044 -177.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.79 -52.22 66.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.631 0.772 . . . . 65.45 110.361 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -62.93 -33.3 75.04 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 122.87 0.468 . . . . 74.68 110.804 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.77 -46.5 62.83 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 118.997 -0.525 . . . . 47.56 110.376 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.5 m -55.53 -45.06 77.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.399 1.88 . . . . 38.6 110.078 175.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -73.22 -32.84 65.01 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 123.601 0.761 . . . . 45.1 110.572 -175.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.9 m -62.88 -55.87 22.37 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.498 -0.751 . . . . 46.13 110.82 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -51.54 -43.3 62.3 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 124.369 1.068 . . . . 71.04 110.378 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -60.66 -44.37 96.52 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 108.577 -0.898 . . . . 58.69 108.577 -177.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -66.22 -41.11 90.57 Favored 'General case' 0 C--O 1.206 -1.204 0 N-CA-C 108.283 -1.006 . . . . 61.38 108.283 -178.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.82 -46.2 92.71 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.539 0 N-CA-C 108.86 -0.792 . . . . 40.16 108.86 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HG3' ' OH ' ' A' ' 139' ' ' TYR . 20.3 mtt-85 -61.76 -36.51 81.25 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.715 0.635 . . . . 35.1 110.163 -179.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -68.1 -44.12 76.91 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 109.687 -0.486 . . . . 42.86 109.687 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' O ' ' HD1' ' A' ' 93' ' ' PHE . . . -54.76 -49.06 71.77 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.681 -0.859 . . . . 33.24 108.681 175.625 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.88 -50.79 72.67 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 119.781 -0.768 . . . . 28.03 109.48 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.486 ' NH2' ' O ' ' A' ' 604' ' ' HOH . 19.2 mtt180 -54.44 -39.0 66.97 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.356 0.662 . . . . 45.79 111.349 -178.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.0 -47.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 CA-C-O 121.594 0.712 . . . . 33.53 111.091 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.758 ' CE2' HG11 ' A' ' 109' ' ' VAL . 10.3 m-85 -58.69 -43.19 89.9 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 115.604 -0.726 . . . . 55.55 110.712 176.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -77.62 72.53 4.16 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-O 121.75 0.786 . . . . 35.89 110.351 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -49.44 43.5 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 123.29 0.636 . . . . 62.89 111.965 -174.236 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -86.02 -8.74 57.72 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.988 -1.07 . . . . 38.85 111.118 -171.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.23 29.46 64.33 Favored Glycine 0 C--O 1.255 1.446 0 C-N-CA 124.663 1.125 . . . . 35.31 114.601 171.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -89.56 0.87 56.62 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.936 -0.744 . . . . 32.68 110.343 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.47 7.57 72.12 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 114.772 0.669 . . . . 32.35 114.772 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -133.17 134.95 44.79 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 123.811 0.844 . . . . 38.35 109.494 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.0 mt -84.74 116.2 27.95 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.184 0 N-CA-C 107.323 -1.362 . . . . 30.14 107.323 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 p -79.9 166.07 22.03 Favored 'General case' 0 N--CA 1.444 -0.735 0 O-C-N 125.301 1.626 . . . . 37.67 109.871 170.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.6 -37.64 82.08 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.399 -0.819 . . . . 36.14 110.748 174.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.21 94.42 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.488 0.715 . . . . 34.03 109.938 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -67.4 -38.15 84.22 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.698 -0.683 . . . . 37.79 111.556 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.2 tp -69.17 -35.71 76.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.388 0.613 . . . . 36.75 110.065 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ARG . . . . . 1.129 ' NH1' ' O ' ' A' ' 601' ' ' HOH . 0.0 OUTLIER -69.91 -39.93 75.89 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 118.323 -0.846 . . . . 55.01 109.141 -176.623 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -66.44 -38.17 86.81 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.182 0.993 . . . . 48.98 109.933 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.758 HG11 ' CE2' ' A' ' 93' ' ' PHE . 1.1 t -69.81 -51.35 41.38 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 C-N-CA 123.598 0.759 . . . . 52.57 109.84 -179.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' MET . . . . . 0.603 ' HE2' HG12 ' A' ' 109' ' ' VAL . 26.0 mmt -53.13 -40.32 64.13 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.834 0.854 . . . . 50.87 111.47 179.58 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.6 p -63.06 -40.12 96.76 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.088 -1.078 . . . . 52.69 108.088 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -64.65 -20.21 66.16 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-O 118.837 -0.601 . . . . 61.38 111.023 -176.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.409 HD22 ' HE1' ' A' ' 110' ' ' MET . 4.1 mp -90.16 5.5 46.64 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.107 0.963 . . . . 66.9 110.615 171.572 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.99 39.11 21.09 Favored Glycine 0 C--N 1.34 0.792 0 N-CA-C 111.822 -0.511 . . . . 55.47 111.822 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -127.08 101.61 6.61 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.854 -0.795 . . . . 85.9 108.854 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -77.11 97.76 4.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 107.095 -1.446 . . . . 75.57 107.095 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.8 mt -106.87 141.97 37.24 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.114 -0.328 . . . . 49.37 110.114 -179.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.2 p -76.93 164.97 25.28 Favored 'General case' 0 N--CA 1.433 -1.294 0 O-C-N 124.944 1.402 . . . . 40.93 110.568 166.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -57.71 -37.96 74.43 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.042 0.937 . . . . 38.71 111.948 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.14 -37.67 86.25 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.857 -1.152 . . . . 72.81 109.746 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.67 -41.41 45.68 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.182 -1.044 . . . . 64.36 108.182 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 107' ' ' ARG . 25.4 t -62.1 -43.19 97.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-N 115.657 -0.701 . . . . 34.23 110.992 177.058 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -64.0 -34.78 78.76 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.071 -0.49 . . . . 41.78 110.649 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.84 -37.09 86.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.685 0.394 . . . . 49.51 110.383 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 88.2 mtp -63.5 -44.11 95.29 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.157 -1.053 . . . . 35.89 108.157 174.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.0 mm -57.19 -50.3 77.04 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 N-CA-C 107.929 -1.138 . . . . 35.96 107.929 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -58.31 -47.81 82.51 Favored 'General case' 0 C--O 1.195 -1.777 0 O-C-N 123.347 0.404 . . . . 61.31 110.223 -174.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -57.04 -34.5 68.28 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 120.932 -1.105 . . . . 54.45 112.277 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.14 -14.41 33.68 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.407 1.083 . . . . 34.1 113.035 -172.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -96.65 99.28 10.9 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 120.97 -1.082 . . . . 38.41 109.734 -162.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.456 HG12 ' HG2' ' A' ' 141' ' ' GLU . 37.5 pt -90.12 -22.86 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 109.365 -0.606 . . . . 36.18 109.365 -170.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -102.34 -2.44 28.92 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.324 0.511 . . . . 44.48 111.048 -178.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 79.29 12.55 83.79 Favored Glycine 0 N--CA 1.477 1.372 0 N-CA-C 115.672 1.029 . . . . 42.94 115.672 172.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -88.33 -2.16 58.44 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.709 1.755 . . . . 39.88 112.295 -169.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.1 13.87 70.57 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 123.58 0.61 . . . . 34.03 112.993 173.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -141.88 158.92 43.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 107.993 -1.114 . . . . 45.51 107.993 -178.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.56 116.59 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.542 -0.91 . . . . 29.66 108.542 175.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -85.79 171.34 11.64 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 123.42 1.581 . . . . 30.83 110.211 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.419 ' OH ' ' HG3' ' A' ' 87' ' ' ARG . 43.1 t80 -59.79 -43.18 94.56 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 120.636 -1.29 . . . . 36.05 112.885 -179.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.422 ' HA ' ' OE1' ' A' ' 140' ' ' GLU . 24.9 tp10 -63.65 -32.25 73.67 Favored 'General case' 0 C--O 1.176 -2.814 0 O-C-N 120.236 -1.54 . . . . 53.13 111.732 178.367 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.456 ' HG2' HG12 ' A' ' 131' ' ' ILE . 70.9 mt-10 -72.75 -39.91 66.47 Favored 'General case' 0 C--O 1.194 -1.849 0 O-C-N 120.715 -1.241 . . . . 33.52 109.887 178.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.13 -49.24 78.08 Favored 'General case' 0 N--CA 1.433 -1.301 0 O-C-N 121.471 -0.768 . . . . 29.03 111.107 175.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 147' ' ' THR . 22.1 t -57.8 -45.48 87.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 109.2 -0.667 . . . . 29.32 109.2 -179.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -54.47 -46.82 73.43 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 122.514 0.326 . . . . 33.4 110.317 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.3 mmm -66.98 -24.71 66.07 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.548 -0.72 . . . . 47.21 111.908 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.2 mmt -92.94 3.11 56.3 Favored 'General case' 0 C--O 1.19 -2.078 0 O-C-N 120.756 -1.215 . . . . 45.44 109.942 -177.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 143' ' ' VAL . 1.4 p . . . . . 0 N--CA 1.478 0.974 0 CA-C-N 119.238 0.926 . . . . 46.53 109.354 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 647' ' ' TRP . . . . . . . . . . . . . 43.6 m95 . . . . . 0 N--CA 1.521 3.096 0 N-CA-C 109.042 -0.725 . . . . 40.84 109.042 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 648' ' ' SER . . . . . . . . . . . . . 2.6 t -31.78 -60.32 0.25 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.89 1.676 . . . . 52.16 111.158 162.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 649' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -35.29 74.69 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 109.263 -0.643 . . . . 63.54 109.263 -172.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.95 -45.29 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 107.828 -1.175 . . . . 39.81 107.828 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 651' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -58.13 -51.71 68.57 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 108.868 -0.79 . . . . 51.83 108.868 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -53.4 -47.1 69.84 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.845 0.831 . . . . 59.37 110.022 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 653' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -67.61 -44.01 79.09 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.69 -0.686 . . . . 58.82 111.32 -172.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.16 -38.5 78.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 N-CA-C 109.954 -0.387 . . . . 44.43 109.954 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 655' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.06 76.65 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.357 0.599 . . . . 43.3 109.687 171.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 656' ' ' ALA . . . . . . . . . . . . . . . -64.32 -7.53 9.87 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-O 117.326 -1.321 . . . . 46.14 111.89 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 657' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 N--CA 1.492 1.67 0 CA-C-N 119.435 1.016 . . . . 67.68 111.274 179.543 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 647' ' ' TRP . . . . . . . . . . . . . 18.6 m95 . . . . . 0 N--CA 1.518 2.933 0 N-CA-C 110.517 -0.179 . . . . 65.49 110.517 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 648' ' ' SER . . . . . . . . . . . . . 52.3 p -57.12 -23.77 49.48 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 122.816 0.446 . . . . 81.92 110.923 172.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 649' ' ' LYS . . . . . 0.508 ' HE2' ' O ' ' C' ' 701' ' ' HOH . 1.2 mttt -63.53 -44.87 92.97 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.534 1.134 . . . . 76.45 111.31 169.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 650' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.13 -43.07 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 115.258 -0.883 . . . . 66.01 109.51 -178.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 651' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -65.19 -42.78 93.24 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 123.67 0.606 . . . . 74.38 111.058 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -71.99 -28.98 63.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.691 0.797 . . . . 70.37 110.633 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 653' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -66.44 -42.74 87.21 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 122.992 0.517 . . . . 77.54 110.515 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 654' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.58 -36.89 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 123.764 0.825 . . . . 63.77 111.715 -176.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 655' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.34 83.7 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.689 -0.486 . . . . 57.24 109.689 171.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 656' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.19 0 C-N-CA 123.801 0.84 . . . . 62.52 110.208 171.777 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . 1.129 ' O ' ' NH1' ' A' ' 107' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . 0.915 ' O ' ' OE1' ' A' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . 0.486 ' O ' ' NH2' ' A' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 618' ' ' HOH . . . . . 0.486 ' O ' HG21 ' A' ' 63' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 627' ' ' HOH . . . . . 0.401 ' O ' ' HE3' ' A' ' 76' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 701' ' ' HOH . . . . . 0.508 ' O ' ' HE2' ' C' ' 649' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_