data_3tkz_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3tkz _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . 0.566 ' CB ' ' CA ' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.517 2.891 0 CA-C-O 118.325 -0.845 . . . . 58.52 110.875 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . 0.566 ' CA ' ' CB ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -87.96 19.28 3.66 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 122.22 2.282 . . . . 72.57 116.136 18.067 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -68.54 -11.17 59.55 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 119.694 1.134 . . . . 37.98 109.256 173.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -89.11 125.12 34.9 Favored 'General case' 0 C--O 1.256 1.402 0 C-N-CA 119.411 -0.916 . . . . 42.69 111.344 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -118.31 99.32 51.69 Favored Pre-proline 0 N--CA 1.47 0.574 0 N-CA-C 107.308 -1.367 . . . . 41.93 107.308 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.44 -18.87 55.33 Favored 'Trans proline' 0 CA--C 1.555 1.557 0 N-CA-C 116.452 1.674 . . . . 56.17 116.452 -172.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -125.55 28.82 6.15 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 115.891 1.812 . . . . 79.81 115.891 -168.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 pt -114.24 152.6 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 122.97 1.367 . . . . 60.0 113.908 176.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -83.91 168.76 15.75 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 112.206 -2.27 . . . . 63.65 110.463 171.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.63 -45.78 95.69 Favored Glycine 0 C--O 1.255 1.447 0 O-C-N 123.276 0.36 . . . . 54.94 112.533 173.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -49.88 -54.11 8.57 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 114.154 1.168 . . . . 64.64 114.154 168.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -62.28 -36.61 82.61 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.736 0.815 . . . . 76.77 111.664 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.21 96.87 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 124.247 0.967 . . . . 45.65 112.529 172.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -57.6 -47.6 81.72 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 123.629 0.581 . . . . 70.82 110.455 173.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -63.86 -40.02 95.58 Favored 'General case' 0 C--O 1.2 -1.54 0 C-N-CA 120.159 -0.616 . . . . 60.87 110.059 -175.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.37 -45.77 78.98 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 113.215 0.82 . . . . 54.73 113.215 178.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.4 -34.77 78.71 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.411 -0.359 . . . . 32.1 110.23 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.1 mt -75.35 -31.17 60.46 Favored 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 124.176 0.923 . . . . 46.08 110.684 -176.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -101.15 -29.79 11.93 Favored 'General case' 0 C--O 1.184 -2.393 0 N-CA-C 113.751 1.019 . . . . 45.46 113.751 -171.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -122.41 0.3 9.42 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-O 118.971 -0.538 . . . . 76.4 111.52 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.42 174.01 20.03 Favored Glycine 0 CA--C 1.539 1.532 0 N-CA-C 110.005 -1.238 . . . . 28.14 110.005 -176.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.11 174.04 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 106.08 -1.822 . . . . 27.28 106.08 170.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.98 129.78 41.42 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 117.631 -1.628 . . . . 45.42 107.649 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.96 -11.61 55.96 Favored Glycine 0 N--CA 1.499 2.893 0 O-C-N 125.541 1.776 . . . . 25.62 111.963 -176.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.9 m -62.72 142.78 57.98 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 122.327 0.251 . . . . 26.53 111.353 172.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -152.83 167.36 29.32 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 118.798 -1.161 . . . . 30.03 109.788 176.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.54 162.98 40.47 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 107.954 -1.128 . . . . 32.6 107.954 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.92 150.37 28.55 Favored 'General case' 0 C--O 1.282 2.774 0 CA-C-O 122.361 1.077 . . . . 33.57 108.756 166.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.5 ptt85 -148.87 167.0 13.99 Favored Pre-proline 0 C--N 1.343 0.296 0 CA-C-N 114.808 -1.087 . . . . 44.13 108.429 -178.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -71.7 141.66 38.17 Favored 'Trans proline' 0 C--O 1.251 1.173 0 O-C-N 123.872 1.459 . . . . 52.1 110.536 172.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 168' ' ' HOH . 29.5 t -77.6 127.0 31.75 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.514 -1.221 . . . . 56.95 112.943 178.003 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -63.83 -48.28 77.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 124.545 1.153 . . . . 67.27 112.533 169.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.2 p -84.34 -10.55 57.5 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.081 1.141 . . . . 70.2 114.081 -170.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -134.77 82.8 43.18 Favored Pre-proline 0 C--O 1.225 -0.187 0 N-CA-C 109.184 -0.672 . . . . 76.29 109.184 169.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -48.57 135.45 27.06 Favored 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 123.33 2.687 . . . . 74.05 113.334 177.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.72 -16.34 54.65 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 115.845 1.098 . . . . 65.24 115.845 -173.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -103.86 176.35 5.18 Favored 'General case' 0 CA--C 1.482 -1.64 0 C-N-CA 123.791 0.837 . . . . 59.93 112.43 -175.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -122.03 157.42 31.4 Favored 'General case' 0 N--CA 1.511 2.575 0 O-C-N 125.452 1.72 . . . . 59.12 115.045 -174.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 m -140.02 140.75 36.29 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.051 -1.463 . . . . 40.12 107.051 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.44 134.45 34.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.616 -1.175 . . . . 37.07 111.174 171.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' ' CD2' ' A' ' 53' ' ' HIS . 58.2 m -118.19 122.89 44.16 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 104.355 -2.461 . . . . 36.08 104.355 176.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.8 t -128.63 130.25 68.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 N-CA-C 107.981 -1.118 . . . . 31.6 107.981 -166.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -93.75 133.86 36.68 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 118.338 -1.345 . . . . 33.17 108.155 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -150.81 142.07 23.25 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 103.539 -2.764 . . . . 69.71 103.539 172.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.7 m120 47.1 44.6 15.42 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 115.469 1.655 . . . . 61.32 115.469 -176.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.02 10.27 61.48 Favored Glycine 0 N--CA 1.469 0.846 0 N-CA-C 115.609 1.004 . . . . 47.33 115.609 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.09 167.22 19.47 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.827 0.851 . . . . 46.54 110.559 176.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.8 t -114.64 132.47 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 123.894 0.746 . . . . 44.94 111.468 -176.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 m -110.53 132.08 54.49 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 105.669 -1.974 . . . . 47.91 105.669 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HIS . . . . . 0.44 ' CD2' ' OG ' ' A' ' 44' ' ' SER . 51.9 m80 -108.89 141.35 41.08 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 119.279 -0.968 . . . . 44.75 111.874 174.292 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.4 mt -138.62 123.93 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.031 -1.1 . . . . 44.79 108.031 -176.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -75.39 144.24 42.35 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 114.216 1.191 . . . . 60.52 114.216 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.6 mt -107.45 128.17 62.74 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 N-CA-C 106.639 -1.615 . . . . 34.56 106.639 175.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -89.03 133.69 34.25 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.26 -0.882 . . . . 40.09 108.762 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -115.37 109.59 18.12 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 107.986 -1.116 . . . . 38.02 107.986 167.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.5 p -85.11 -15.3 44.35 Favored 'General case' 0 C--O 1.254 1.328 0 C-N-CA 118.799 -1.16 . . . . 36.14 112.791 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.31 -24.3 32.59 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 107.931 -2.068 . . . . 35.77 107.931 -173.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -104.43 -19.68 13.97 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 114.867 1.432 . . . . 36.04 114.867 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -170.69 171.72 6.1 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.677 1.236 . . . . 35.8 110.086 176.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -113.95 147.46 38.51 Favored 'General case' 0 C--O 1.263 1.795 0 N-CA-C 105.986 -1.857 . . . . 32.31 105.986 171.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -157.62 -171.39 3.55 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 104.853 -2.277 . . . . 36.01 104.853 168.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.7 mt -103.38 38.18 1.84 Allowed 'General case' 0 C--O 1.256 1.433 0 N-CA-C 112.869 0.692 . . . . 36.28 112.869 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 53.86 45.86 26.92 Favored 'General case' 0 CA--C 1.507 -0.705 0 O-C-N 124.396 1.06 . . . . 48.87 110.166 -165.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 152.51 168.05 16.14 Favored Glycine 0 C--O 1.25 1.105 0 N-CA-C 107.882 -2.087 . . . . 39.69 107.882 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.57 -170.09 53.95 Favored Glycine 0 CA--C 1.542 1.727 0 N-CA-C 110.574 -1.01 . . . . 39.46 110.574 168.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -60.07 149.97 30.81 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 117.225 0.512 . . . . 59.49 111.157 -173.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -100.1 142.27 31.81 Favored 'General case' 0 C--O 1.273 2.308 0 CA-C-O 118.564 -0.731 . . . . 42.82 110.063 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -130.64 150.14 51.97 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 125.378 1.674 . . . . 29.63 111.422 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.69 -31.98 63.71 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 119.376 -0.93 . . . . 24.95 112.505 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.4 p -135.56 157.96 45.57 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-N 119.016 0.825 . . . . 25.41 109.541 -173.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.99 -40.09 95.59 Favored 'General case' 0 C--O 1.25 1.082 0 N-CA-C 107.47 -1.307 . . . . 37.44 107.47 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.02 82.93 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 117.884 -1.526 . . . . 24.16 110.743 -175.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.26 -37.43 87.18 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 120.322 -1.486 . . . . 43.79 111.264 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.34 -52.12 66.93 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.037 0.836 . . . . 27.06 109.741 175.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.57 -45.64 98.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-N 114.408 -1.269 . . . . 26.73 108.552 -176.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.43 -43.23 97.01 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-O 122.448 1.118 . . . . 52.02 111.088 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -57.78 -48.19 80.38 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 121.291 -0.881 . . . . 45.03 111.357 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -76.76 -21.37 55.32 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 118.707 -1.197 . . . . 34.79 112.457 -177.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mtp -69.02 -37.8 78.84 Favored 'General case' 0 C--O 1.273 2.338 0 C-N-CA 119.191 -1.003 . . . . 32.37 112.263 168.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.84 -20.77 32.6 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 116.721 2.119 . . . . 39.55 116.721 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -118.5 91.39 3.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.781 -1.562 . . . . 41.74 106.781 -175.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.06 150.39 33.79 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.17 -1.048 . . . . 76.12 108.17 -170.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.64 80.67 Favored Glycine 0 N--CA 1.481 1.668 0 N-CA-C 118.376 2.11 . . . . 55.87 118.376 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -90.46 -12.03 38.57 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 118.399 -0.81 . . . . 60.65 111.158 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.6 mt -120.56 126.71 51.0 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 105.485 -2.043 . . . . 49.56 105.485 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -141.99 154.01 44.7 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 120.14 -0.624 . . . . 85.93 111.391 -172.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' ASN . 15.8 mt-10 -80.33 153.39 28.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 107.701 -1.222 . . . . 96.96 107.701 165.336 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -67.63 19.64 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 119.616 -0.834 . . . . 107.53 112.711 -170.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' GLU . 2.5 p-10 -177.65 33.28 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 120.574 3.546 . . . . 107.63 120.574 -151.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.75 12.85 0.13 Allowed Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 103.515 -3.834 . . . . 97.53 103.515 10.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.37 143.52 44.84 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 116.955 2.206 . . . . 87.25 116.955 175.093 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.7 m -77.97 150.94 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.259 0 CA-C-N 112.595 -2.093 . . . . 69.58 111.579 -175.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.1 mt -107.59 102.01 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 104.862 -2.273 . . . . 51.87 104.862 172.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 165' ' ' HOH . 2.5 mt-10 -102.6 133.88 46.88 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 112.914 0.709 . . . . 64.04 112.914 -171.028 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mp -91.29 91.75 8.31 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.083 -1.451 . . . . 36.94 107.083 170.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -95.8 -51.24 4.57 Favored 'General case' 0 C--O 1.272 2.269 0 N-CA-C 114.005 1.113 . . . . 51.08 114.005 -176.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -131.05 107.41 15.05 Favored Pre-proline 0 CA--C 1.498 -1.053 0 O-C-N 124.252 0.97 . . . . 31.31 109.2 -164.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -59.33 138.65 85.77 Favored 'Trans proline' 0 N--CA 1.435 -1.965 0 N-CA-C 109.121 -1.146 . . . . 33.41 109.121 179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.0 tp -97.84 104.62 16.66 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.499 -0.926 . . . . 43.18 108.499 174.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 N--CA 1.475 0.786 0 O-C-N 123.609 0.568 . . . . 53.39 111.04 -173.976 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . 0.414 ' O ' ' OE2' ' A' ' 97' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . 0.419 ' O ' ' CB ' ' A' ' 34' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . 0.479 ' O ' ' N ' ' Q' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 121.608 0.718 . . . . 63.69 112.835 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 mt -94.15 113.02 27.95 Favored 'Isoleucine or valine' 0 C--O 1.26 1.63 0 N-CA-C 112.573 0.583 . . . . 65.33 112.573 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 4' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 5' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -109.85 145.98 35.86 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 104.872 -2.269 . . . . 62.35 104.872 166.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.74 145.17 56.0 Favored Pre-proline 0 N--CA 1.473 0.716 0 N-CA-C 103.978 -2.601 . . . . 54.68 103.978 -173.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 7' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.12 166.28 23.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.994 2.463 . . . . 56.83 111.36 -177.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 C--O 1.261 1.666 0 N-CA-C 114.702 1.371 . . . . 64.92 114.702 -169.496 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Q' Q ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Q' Q ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Q' Q ' 2' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 180' ' ' HOH . 1.6 m . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 112.156 0.428 . . . . 58.34 112.156 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Q' Q ' 3' ' ' ILE . . . . . . . . . . . . . 44.3 mt -131.26 131.82 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 104.797 -2.297 . . . . 51.81 104.797 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Q' Q ' 4' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Q' Q ' 5' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -123.31 158.24 31.43 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.157 1.383 . . . . 51.0 109.368 -176.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Q' Q ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -141.22 153.62 66.7 Favored Pre-proline 0 C--O 1.241 0.608 0 N-CA-C 104.362 -2.458 . . . . 59.26 104.362 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Q' Q ' 7' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo . . . . . 0 C--N 1.354 0.835 0 O-C-N 122.269 0.615 . . . . 63.18 112.302 168.205 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . 0.768 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.517 2.891 0 CA-C-O 118.325 -0.845 . . . . 58.520000000000003 110.875 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . 0.768 ' HA ' ' CB ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -87.96 19.28 3.66 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 122.22 2.282 . . . . 72.569999999999993 116.136 18.067 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 101' ' ' PRO . 11.2 p-90 -68.54 -11.17 59.55 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 119.694 1.134 . . . . 37.979999999999997 109.256 173.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' H ' ' CB ' ' A' ' 4' ' ' ARG . 74.9 t80 -89.11 125.12 34.9 Favored 'General case' 0 C--O 1.256 1.402 0 C-N-CA 119.411 -0.916 . . . . 42.689999999999998 111.344 -179.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -118.31 99.32 51.69 Favored Pre-proline 0 N--CA 1.47 0.574 0 N-CA-C 107.308 -1.367 . . . . 41.93 107.308 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.44 -18.87 55.33 Favored 'Trans proline' 0 CA--C 1.555 1.557 0 N-CA-C 116.452 1.674 . . . . 56.170000000000002 116.452 -172.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -125.55 28.82 6.15 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 115.891 1.812 . . . . 79.810000000000002 115.891 -168.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 pt -114.24 152.6 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 122.97 1.367 . . . . 60.0 113.908 176.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -83.91 168.76 15.75 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 112.206 -2.27 . . . . 63.649999999999999 110.463 171.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.63 -45.78 95.69 Favored Glycine 0 C--O 1.255 1.447 0 O-C-N 123.276 0.36 . . . . 54.939999999999998 112.533 173.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -49.88 -54.11 8.57 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 114.154 1.168 . . . . 64.640000000000001 114.154 168.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -62.28 -36.61 82.61 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.736 0.815 . . . . 76.769999999999996 111.664 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.21 96.87 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 124.247 0.967 . . . . 45.649999999999999 112.529 172.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HG2' ' HB ' ' A' ' 51' ' ' VAL . 36.2 mt-10 -57.6 -47.6 81.72 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 123.629 0.581 . . . . 70.819999999999993 110.455 173.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -63.86 -40.02 95.58 Favored 'General case' 0 C--O 1.2 -1.54 0 C-N-CA 120.159 -0.616 . . . . 60.869999999999997 110.059 -175.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.635 ' HG ' HD21 ' A' ' 102' ' ' LEU . 7.1 tp -66.37 -45.77 78.98 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 113.215 0.82 . . . . 54.729999999999997 113.215 178.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.4 -34.77 78.71 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.411 -0.359 . . . . 32.100000000000001 110.23 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.1 mt -75.35 -31.17 60.46 Favored 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 124.176 0.923 . . . . 46.079999999999998 110.684 -176.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -101.15 -29.79 11.93 Favored 'General case' 0 C--O 1.184 -2.393 0 N-CA-C 113.751 1.019 . . . . 45.460000000000001 113.751 -171.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -122.41 0.3 9.42 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-O 118.971 -0.538 . . . . 76.400000000000006 111.52 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.42 174.01 20.03 Favored Glycine 0 CA--C 1.539 1.532 0 N-CA-C 110.005 -1.238 . . . . 28.140000000000001 110.005 -176.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.11 174.04 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 106.08 -1.822 . . . . 27.280000000000001 106.08 170.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.98 129.78 41.42 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 117.631 -1.628 . . . . 45.420000000000002 107.649 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.96 -11.61 55.96 Favored Glycine 0 N--CA 1.499 2.893 0 O-C-N 125.541 1.776 . . . . 25.620000000000001 111.963 -176.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.9 m -62.72 142.78 57.98 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 122.327 0.251 . . . . 26.530000000000001 111.353 172.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -152.83 167.36 29.32 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 118.798 -1.161 . . . . 30.030000000000001 109.788 176.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.54 162.98 40.47 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 107.954 -1.128 . . . . 32.600000000000001 107.954 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.92 150.37 28.55 Favored 'General case' 0 C--O 1.282 2.774 0 CA-C-O 122.361 1.077 . . . . 33.57 108.756 166.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.5 ptt85 -148.87 167.0 13.99 Favored Pre-proline 0 C--N 1.343 0.296 0 CA-C-N 114.808 -1.087 . . . . 44.130000000000003 108.429 -178.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -71.7 141.66 38.17 Favored 'Trans proline' 0 C--O 1.251 1.173 0 O-C-N 123.872 1.459 . . . . 52.100000000000001 110.536 172.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' A' ' 168' ' ' HOH . 29.5 t -77.6 127.0 31.75 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.514 -1.221 . . . . 56.950000000000003 112.943 178.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -63.83 -48.28 77.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 124.545 1.153 . . . . 67.269999999999996 112.533 169.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.2 p -84.34 -10.55 57.5 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.081 1.141 . . . . 70.200000000000003 114.081 -170.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -134.77 82.8 43.18 Favored Pre-proline 0 C--O 1.225 -0.187 0 N-CA-C 109.184 -0.672 . . . . 76.290000000000006 109.184 169.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -48.57 135.45 27.06 Favored 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 123.33 2.687 . . . . 74.049999999999997 113.334 177.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.72 -16.34 54.65 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 115.845 1.098 . . . . 65.239999999999995 115.845 -173.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -103.86 176.35 5.18 Favored 'General case' 0 CA--C 1.482 -1.64 0 C-N-CA 123.791 0.837 . . . . 59.93 112.43 -175.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -122.03 157.42 31.4 Favored 'General case' 0 N--CA 1.511 2.575 0 O-C-N 125.452 1.72 . . . . 59.119999999999997 115.045 -174.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 m -140.02 140.75 36.29 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.051 -1.463 . . . . 40.119999999999997 107.051 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . 0.583 ' HG ' HD11 ' A' ' 56' ' ' ILE . 85.2 mt -90.44 134.45 34.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.616 -1.175 . . . . 37.07 111.174 171.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.2 m -118.19 122.89 44.16 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 104.355 -2.461 . . . . 36.079999999999998 104.355 176.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.8 t -128.63 130.25 68.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 N-CA-C 107.981 -1.118 . . . . 31.600000000000001 107.981 -166.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -93.75 133.86 36.68 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 118.338 -1.345 . . . . 33.170000000000002 108.155 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -150.81 142.07 23.25 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 103.539 -2.764 . . . . 69.709999999999994 103.539 172.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.7 m120 47.1 44.6 15.42 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 115.469 1.655 . . . . 61.32 115.469 -176.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.02 10.27 61.48 Favored Glycine 0 N--CA 1.469 0.846 0 N-CA-C 115.609 1.004 . . . . 47.329999999999998 115.609 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.09 167.22 19.47 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.827 0.851 . . . . 46.539999999999999 110.559 176.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . 0.459 ' HB ' ' HG2' ' A' ' 17' ' ' GLU . 88.8 t -114.64 132.47 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 123.894 0.746 . . . . 44.939999999999998 111.468 -176.309 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 m -110.53 132.08 54.49 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 105.669 -1.974 . . . . 47.909999999999997 105.669 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -108.89 141.35 41.08 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 119.279 -0.968 . . . . 44.75 111.874 174.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.4 mt -138.62 123.93 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.031 -1.1 . . . . 44.789999999999999 108.031 -176.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -75.39 144.24 42.35 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 114.216 1.191 . . . . 60.520000000000003 114.216 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . 0.583 HD11 ' HG ' ' A' ' 43' ' ' LEU . 78.6 mt -107.45 128.17 62.74 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 N-CA-C 106.639 -1.615 . . . . 34.560000000000002 106.639 175.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -89.03 133.69 34.25 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.26 -0.882 . . . . 40.090000000000003 108.762 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -115.37 109.59 18.12 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 107.986 -1.116 . . . . 38.020000000000003 107.986 167.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.5 p -85.11 -15.3 44.35 Favored 'General case' 0 C--O 1.254 1.328 0 C-N-CA 118.799 -1.16 . . . . 36.140000000000001 112.791 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.31 -24.3 32.59 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 107.931 -2.068 . . . . 35.770000000000003 107.931 -173.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -104.43 -19.68 13.97 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 114.867 1.432 . . . . 36.039999999999999 114.867 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -170.69 171.72 6.1 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.677 1.236 . . . . 35.799999999999997 110.086 176.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -113.95 147.46 38.51 Favored 'General case' 0 C--O 1.263 1.795 0 N-CA-C 105.986 -1.857 . . . . 32.310000000000002 105.986 171.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -157.62 -171.39 3.55 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 104.853 -2.277 . . . . 36.009999999999998 104.853 168.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.7 mt -103.38 38.18 1.84 Allowed 'General case' 0 C--O 1.256 1.433 0 N-CA-C 112.869 0.692 . . . . 36.280000000000001 112.869 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 53.86 45.86 26.92 Favored 'General case' 0 CA--C 1.507 -0.705 0 O-C-N 124.396 1.06 . . . . 48.869999999999997 110.166 -165.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 152.51 168.05 16.14 Favored Glycine 0 C--O 1.25 1.105 0 N-CA-C 107.882 -2.087 . . . . 39.689999999999998 107.882 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.57 -170.09 53.95 Favored Glycine 0 CA--C 1.542 1.727 0 N-CA-C 110.574 -1.01 . . . . 39.460000000000001 110.574 168.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -60.07 149.97 30.81 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 117.225 0.512 . . . . 59.490000000000002 111.157 -173.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -100.1 142.27 31.81 Favored 'General case' 0 C--O 1.273 2.308 0 CA-C-O 118.564 -0.731 . . . . 42.82 110.063 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -130.64 150.14 51.97 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 125.378 1.674 . . . . 29.629999999999999 111.422 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.69 -31.98 63.71 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 119.376 -0.93 . . . . 24.949999999999999 112.505 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.4 p -135.56 157.96 45.57 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-N 119.016 0.825 . . . . 25.41 109.541 -173.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.99 -40.09 95.59 Favored 'General case' 0 C--O 1.25 1.082 0 N-CA-C 107.47 -1.307 . . . . 37.439999999999998 107.47 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.02 82.93 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 117.884 -1.526 . . . . 24.16 110.743 -175.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.26 -37.43 87.18 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 120.322 -1.486 . . . . 43.789999999999999 111.264 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.34 -52.12 66.93 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.037 0.836 . . . . 27.059999999999999 109.741 175.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.57 -45.64 98.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-N 114.408 -1.269 . . . . 26.73 108.552 -176.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.43 -43.23 97.01 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-O 122.448 1.118 . . . . 52.020000000000003 111.088 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -57.78 -48.19 80.38 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 121.291 -0.881 . . . . 45.030000000000001 111.357 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -76.76 -21.37 55.32 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 118.707 -1.197 . . . . 34.789999999999999 112.457 -177.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mtp -69.02 -37.8 78.84 Favored 'General case' 0 C--O 1.273 2.338 0 C-N-CA 119.191 -1.003 . . . . 32.369999999999997 112.263 168.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.84 -20.77 32.6 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 116.721 2.119 . . . . 39.549999999999997 116.721 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -118.5 91.39 3.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.781 -1.562 . . . . 41.740000000000002 106.781 -175.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.06 150.39 33.79 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.17 -1.048 . . . . 76.120000000000005 108.17 -170.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.64 80.67 Favored Glycine 0 N--CA 1.481 1.668 0 N-CA-C 118.376 2.11 . . . . 55.869999999999997 118.376 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -90.46 -12.03 38.57 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 118.399 -0.81 . . . . 60.649999999999999 111.158 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.6 mt -120.56 126.71 51.0 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 105.485 -2.043 . . . . 49.560000000000002 105.485 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -141.99 154.01 44.7 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 120.14 -0.624 . . . . 85.930000000000007 111.391 -172.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' ASN . 15.8 mt-10 -80.33 153.39 28.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 107.701 -1.222 . . . . 96.959999999999994 107.701 165.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -67.63 19.64 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 119.616 -0.834 . . . . 107.53 112.711 -170.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . 0.51 ' H ' ' HA2' ' A' ' 93' ' ' GLY . 2.5 p-10 -177.65 33.28 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 120.574 3.546 . . . . 107.63 120.574 -151.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . 0.51 ' HA2' ' H ' ' A' ' 92' ' ' ASN . . . -161.75 12.85 0.13 Allowed Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 103.515 -3.834 . . . . 97.530000000000001 103.515 10.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.37 143.52 44.84 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 116.955 2.206 . . . . 87.25 116.955 175.093 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.7 m -77.97 150.94 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.259 0 CA-C-N 112.595 -2.093 . . . . 69.579999999999998 111.579 -175.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.1 mt -107.59 102.01 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 104.862 -2.273 . . . . 51.869999999999997 104.862 172.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 165' ' ' HOH . 2.5 mt-10 -102.6 133.88 46.88 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 112.914 0.709 . . . . 64.040000000000006 112.914 -171.028 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mp -91.29 91.75 8.31 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.083 -1.451 . . . . 36.939999999999998 107.083 170.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -95.8 -51.24 4.57 Favored 'General case' 0 C--O 1.272 2.269 0 N-CA-C 114.005 1.113 . . . . 51.079999999999998 114.005 -176.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -131.05 107.41 15.05 Favored Pre-proline 0 CA--C 1.498 -1.053 0 O-C-N 124.252 0.97 . . . . 31.309999999999999 109.2 -164.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PRO . . . . . 0.541 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 9.4 Cg_exo -59.33 138.65 85.77 Favored 'Trans proline' 0 N--CA 1.435 -1.965 0 N-CA-C 109.121 -1.146 . . . . 33.409999999999997 109.121 179.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . 0.635 HD21 ' HG ' ' A' ' 19' ' ' LEU . 14.0 tp -97.84 104.62 16.66 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.499 -0.926 . . . . 43.18 108.499 174.562 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 . . . . . 0 N--CA 1.475 0.786 0 O-C-N 123.609 0.568 . . . . 53.390000000000001 111.04 -173.976 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . 0.414 ' O ' ' OE2' ' A' ' 97' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . 0.51 ' O ' ' HB2' ' A' ' 34' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . 0.479 ' O ' ' N ' ' Q' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 121.608 0.718 . . . . 63.689999999999998 112.835 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 mt -94.15 113.02 27.95 Favored 'Isoleucine or valine' 0 C--O 1.26 1.63 0 N-CA-C 112.573 0.583 . . . . 65.329999999999998 112.573 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 4' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 5' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' Q' ' 5' ' ' PHE . 3.2 m-85 -109.85 145.98 35.86 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 104.872 -2.269 . . . . 62.350000000000001 104.872 166.523 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.74 145.17 56.0 Favored Pre-proline 0 N--CA 1.473 0.716 0 N-CA-C 103.978 -2.601 . . . . 54.68 103.978 -173.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 7' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.12 166.28 23.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.994 2.463 . . . . 56.829999999999998 111.36 -177.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 C--O 1.261 1.666 0 N-CA-C 114.702 1.371 . . . . 64.920000000000002 114.702 -169.496 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Q' Q ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Q' Q ' 38' ' ' HOH . . . . . 0.444 ' O ' HG22 ' Q' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Q' Q ' 2' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 180' ' ' HOH . 1.6 m . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 112.156 0.428 . . . . 58.340000000000003 112.156 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Q' Q ' 3' ' ' ILE . . . . . . . . . . . . . 44.3 mt -131.26 131.82 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 104.797 -2.297 . . . . 51.810000000000002 104.797 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Q' Q ' 4' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Q' Q ' 5' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' P' ' 5' ' ' PHE . 66.6 m-85 -123.31 158.24 31.43 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.157 1.383 . . . . 51.0 109.368 -176.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Q' Q ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -141.22 153.62 66.7 Favored Pre-proline 0 C--O 1.241 0.608 0 N-CA-C 104.362 -2.458 . . . . 59.259999999999998 104.362 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Q' Q ' 7' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo . . . . . 0 C--N 1.354 0.835 0 O-C-N 122.269 0.615 . . . . 63.18 112.302 168.205 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.768 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.517 2.891 0 CA-C-O 118.325 -0.845 . . . . 58.520000000000003 110.875 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.768 ' HA ' ' CB ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -87.96 19.28 3.66 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 122.22 2.282 . . . . 72.569999999999993 116.136 18.067 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 101' ' ' PRO . 11.2 p-90 -68.54 -11.17 59.55 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 119.694 1.134 . . . . 37.979999999999997 109.256 173.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' H ' ' CB ' ' A' ' 4' ' ' ARG . 74.9 t80 -89.11 125.12 34.9 Favored 'General case' 0 C--O 1.256 1.402 0 C-N-CA 119.411 -0.916 . . . . 42.689999999999998 111.344 -179.536 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -118.31 99.32 51.69 Favored Pre-proline 0 N--CA 1.47 0.574 0 N-CA-C 107.308 -1.367 . . . . 41.93 107.308 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.44 -18.87 55.33 Favored 'Trans proline' 0 CA--C 1.555 1.557 0 N-CA-C 116.452 1.674 . . . . 56.170000000000002 116.452 -172.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -125.55 28.82 6.15 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 115.891 1.812 . . . . 79.810000000000002 115.891 -168.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 pt -114.24 152.6 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 122.97 1.367 . . . . 60.0 113.908 176.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -83.91 168.76 15.75 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 112.206 -2.27 . . . . 63.649999999999999 110.463 171.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.63 -45.78 95.69 Favored Glycine 0 C--O 1.255 1.447 0 O-C-N 123.276 0.36 . . . . 54.939999999999998 112.533 173.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -49.88 -54.11 8.57 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 114.154 1.168 . . . . 64.640000000000001 114.154 168.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -62.28 -36.61 82.61 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.736 0.815 . . . . 76.769999999999996 111.664 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.21 96.87 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 124.247 0.967 . . . . 45.649999999999999 112.529 172.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' OE2' ' HE1' ' A' ' 53' ' ' HIS . 36.2 mt-10 -57.6 -47.6 81.72 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 123.629 0.581 . . . . 70.819999999999993 110.455 173.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -63.86 -40.02 95.58 Favored 'General case' 0 C--O 1.2 -1.54 0 C-N-CA 120.159 -0.616 . . . . 60.869999999999997 110.059 -175.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.635 ' HG ' HD21 ' A' ' 102' ' ' LEU . 7.1 tp -66.37 -45.77 78.98 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 113.215 0.82 . . . . 54.729999999999997 113.215 178.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.4 -34.77 78.71 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.411 -0.359 . . . . 32.100000000000001 110.23 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.1 mt -75.35 -31.17 60.46 Favored 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 124.176 0.923 . . . . 46.079999999999998 110.684 -176.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -101.15 -29.79 11.93 Favored 'General case' 0 C--O 1.184 -2.393 0 N-CA-C 113.751 1.019 . . . . 45.460000000000001 113.751 -171.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -122.41 0.3 9.42 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-O 118.971 -0.538 . . . . 76.400000000000006 111.52 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.42 174.01 20.03 Favored Glycine 0 CA--C 1.539 1.532 0 N-CA-C 110.005 -1.238 . . . . 28.140000000000001 110.005 -176.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.11 174.04 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 106.08 -1.822 . . . . 27.280000000000001 106.08 170.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.98 129.78 41.42 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 117.631 -1.628 . . . . 45.420000000000002 107.649 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.96 -11.61 55.96 Favored Glycine 0 N--CA 1.499 2.893 0 O-C-N 125.541 1.776 . . . . 25.620000000000001 111.963 -176.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.9 m -62.72 142.78 57.98 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 122.327 0.251 . . . . 26.530000000000001 111.353 172.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -152.83 167.36 29.32 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 118.798 -1.161 . . . . 30.030000000000001 109.788 176.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.54 162.98 40.47 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 107.954 -1.128 . . . . 32.600000000000001 107.954 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.92 150.37 28.55 Favored 'General case' 0 C--O 1.282 2.774 0 CA-C-O 122.361 1.077 . . . . 33.57 108.756 166.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.564 HH21 ' CD2' ' A' ' 53' ' ' HIS . 49.5 ptt85 -148.87 167.0 13.99 Favored Pre-proline 0 C--N 1.343 0.296 0 CA-C-N 114.808 -1.087 . . . . 44.130000000000003 108.429 -178.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -71.7 141.66 38.17 Favored 'Trans proline' 0 C--O 1.251 1.173 0 O-C-N 123.872 1.459 . . . . 52.100000000000001 110.536 172.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' A' ' 168' ' ' HOH . 29.5 t -77.6 127.0 31.75 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.514 -1.221 . . . . 56.950000000000003 112.943 178.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -63.83 -48.28 77.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 124.545 1.153 . . . . 67.269999999999996 112.533 169.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.2 p -84.34 -10.55 57.5 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.081 1.141 . . . . 70.200000000000003 114.081 -170.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -134.77 82.8 43.18 Favored Pre-proline 0 C--O 1.225 -0.187 0 N-CA-C 109.184 -0.672 . . . . 76.290000000000006 109.184 169.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -48.57 135.45 27.06 Favored 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 123.33 2.687 . . . . 74.049999999999997 113.334 177.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.72 -16.34 54.65 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 115.845 1.098 . . . . 65.239999999999995 115.845 -173.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -103.86 176.35 5.18 Favored 'General case' 0 CA--C 1.482 -1.64 0 C-N-CA 123.791 0.837 . . . . 59.93 112.43 -175.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -122.03 157.42 31.4 Favored 'General case' 0 N--CA 1.511 2.575 0 O-C-N 125.452 1.72 . . . . 59.119999999999997 115.045 -174.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 m -140.02 140.75 36.29 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.051 -1.463 . . . . 40.119999999999997 107.051 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.583 ' HG ' HD11 ' A' ' 56' ' ' ILE . 85.2 mt -90.44 134.45 34.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.616 -1.175 . . . . 37.07 111.174 171.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . 0.477 ' OG ' ' HD2' ' A' ' 53' ' ' HIS . 58.2 m -118.19 122.89 44.16 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 104.355 -2.461 . . . . 36.079999999999998 104.355 176.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.8 t -128.63 130.25 68.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 N-CA-C 107.981 -1.118 . . . . 31.600000000000001 107.981 -166.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -93.75 133.86 36.68 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 118.338 -1.345 . . . . 33.170000000000002 108.155 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -150.81 142.07 23.25 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 103.539 -2.764 . . . . 69.709999999999994 103.539 172.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.7 m120 47.1 44.6 15.42 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 115.469 1.655 . . . . 61.32 115.469 -176.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.02 10.27 61.48 Favored Glycine 0 N--CA 1.469 0.846 0 N-CA-C 115.609 1.004 . . . . 47.329999999999998 115.609 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.09 167.22 19.47 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.827 0.851 . . . . 46.539999999999999 110.559 176.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.459 ' HB ' ' HG2' ' A' ' 17' ' ' GLU . 88.8 t -114.64 132.47 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 123.894 0.746 . . . . 44.939999999999998 111.468 -176.309 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 m -110.53 132.08 54.49 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 105.669 -1.974 . . . . 47.909999999999997 105.669 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.564 ' CD2' HH21 ' A' ' 32' ' ' ARG . 51.9 m80 -108.89 141.35 41.08 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 119.279 -0.968 . . . . 44.75 111.874 174.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.4 mt -138.62 123.93 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.031 -1.1 . . . . 44.789999999999999 108.031 -176.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -75.39 144.24 42.35 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 114.216 1.191 . . . . 60.520000000000003 114.216 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.583 HD11 ' HG ' ' A' ' 43' ' ' LEU . 78.6 mt -107.45 128.17 62.74 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 N-CA-C 106.639 -1.615 . . . . 34.560000000000002 106.639 175.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -89.03 133.69 34.25 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.26 -0.882 . . . . 40.090000000000003 108.762 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -115.37 109.59 18.12 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 107.986 -1.116 . . . . 38.020000000000003 107.986 167.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.5 p -85.11 -15.3 44.35 Favored 'General case' 0 C--O 1.254 1.328 0 C-N-CA 118.799 -1.16 . . . . 36.140000000000001 112.791 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.31 -24.3 32.59 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 107.931 -2.068 . . . . 35.770000000000003 107.931 -173.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -104.43 -19.68 13.97 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 114.867 1.432 . . . . 36.039999999999999 114.867 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -170.69 171.72 6.1 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.677 1.236 . . . . 35.799999999999997 110.086 176.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -113.95 147.46 38.51 Favored 'General case' 0 C--O 1.263 1.795 0 N-CA-C 105.986 -1.857 . . . . 32.310000000000002 105.986 171.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -157.62 -171.39 3.55 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 104.853 -2.277 . . . . 36.009999999999998 104.853 168.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.7 mt -103.38 38.18 1.84 Allowed 'General case' 0 C--O 1.256 1.433 0 N-CA-C 112.869 0.692 . . . . 36.280000000000001 112.869 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 53.86 45.86 26.92 Favored 'General case' 0 CA--C 1.507 -0.705 0 O-C-N 124.396 1.06 . . . . 48.869999999999997 110.166 -165.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 152.51 168.05 16.14 Favored Glycine 0 C--O 1.25 1.105 0 N-CA-C 107.882 -2.087 . . . . 39.689999999999998 107.882 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.57 -170.09 53.95 Favored Glycine 0 CA--C 1.542 1.727 0 N-CA-C 110.574 -1.01 . . . . 39.460000000000001 110.574 168.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -60.07 149.97 30.81 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 117.225 0.512 . . . . 59.490000000000002 111.157 -173.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -100.1 142.27 31.81 Favored 'General case' 0 C--O 1.273 2.308 0 CA-C-O 118.564 -0.731 . . . . 42.82 110.063 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -130.64 150.14 51.97 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 125.378 1.674 . . . . 29.629999999999999 111.422 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.69 -31.98 63.71 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 119.376 -0.93 . . . . 24.949999999999999 112.505 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.4 p -135.56 157.96 45.57 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-N 119.016 0.825 . . . . 25.41 109.541 -173.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.99 -40.09 95.59 Favored 'General case' 0 C--O 1.25 1.082 0 N-CA-C 107.47 -1.307 . . . . 37.439999999999998 107.47 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.02 82.93 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 117.884 -1.526 . . . . 24.16 110.743 -175.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.26 -37.43 87.18 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 120.322 -1.486 . . . . 43.789999999999999 111.264 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.34 -52.12 66.93 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.037 0.836 . . . . 27.059999999999999 109.741 175.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.57 -45.64 98.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-N 114.408 -1.269 . . . . 26.73 108.552 -176.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.43 -43.23 97.01 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-O 122.448 1.118 . . . . 52.020000000000003 111.088 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -57.78 -48.19 80.38 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 121.291 -0.881 . . . . 45.030000000000001 111.357 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -76.76 -21.37 55.32 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 118.707 -1.197 . . . . 34.789999999999999 112.457 -177.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mtp -69.02 -37.8 78.84 Favored 'General case' 0 C--O 1.273 2.338 0 C-N-CA 119.191 -1.003 . . . . 32.369999999999997 112.263 168.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.84 -20.77 32.6 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 116.721 2.119 . . . . 39.549999999999997 116.721 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -118.5 91.39 3.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.781 -1.562 . . . . 41.740000000000002 106.781 -175.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.06 150.39 33.79 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.17 -1.048 . . . . 76.120000000000005 108.17 -170.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.64 80.67 Favored Glycine 0 N--CA 1.481 1.668 0 N-CA-C 118.376 2.11 . . . . 55.869999999999997 118.376 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -90.46 -12.03 38.57 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 118.399 -0.81 . . . . 60.649999999999999 111.158 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.6 mt -120.56 126.71 51.0 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 105.485 -2.043 . . . . 49.560000000000002 105.485 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -141.99 154.01 44.7 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 120.14 -0.624 . . . . 85.930000000000007 111.391 -172.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' ASN . 15.8 mt-10 -80.33 153.39 28.42 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 107.701 -1.222 . . . . 96.959999999999994 107.701 165.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -67.63 19.64 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 119.616 -0.834 . . . . 107.53 112.711 -170.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.51 ' H ' ' HA2' ' A' ' 93' ' ' GLY . 2.5 p-10 -177.65 33.28 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 120.574 3.546 . . . . 107.63 120.574 -151.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.51 ' HA2' ' H ' ' A' ' 92' ' ' ASN . . . -161.75 12.85 0.13 Allowed Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 103.515 -3.834 . . . . 97.530000000000001 103.515 10.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.37 143.52 44.84 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 116.955 2.206 . . . . 87.25 116.955 175.093 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.7 m -77.97 150.94 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.259 0 CA-C-N 112.595 -2.093 . . . . 69.579999999999998 111.579 -175.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.1 mt -107.59 102.01 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 104.862 -2.273 . . . . 51.869999999999997 104.862 172.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 165' ' ' HOH . 2.5 mt-10 -102.6 133.88 46.88 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 112.914 0.709 . . . . 64.040000000000006 112.914 -171.028 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mp -91.29 91.75 8.31 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.083 -1.451 . . . . 36.939999999999998 107.083 170.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -95.8 -51.24 4.57 Favored 'General case' 0 C--O 1.272 2.269 0 N-CA-C 114.005 1.113 . . . . 51.079999999999998 114.005 -176.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -131.05 107.41 15.05 Favored Pre-proline 0 CA--C 1.498 -1.053 0 O-C-N 124.252 0.97 . . . . 31.309999999999999 109.2 -164.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.541 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 9.4 Cg_exo -59.33 138.65 85.77 Favored 'Trans proline' 0 N--CA 1.435 -1.965 0 N-CA-C 109.121 -1.146 . . . . 33.409999999999997 109.121 179.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.635 HD21 ' HG ' ' A' ' 19' ' ' LEU . 14.0 tp -97.84 104.62 16.66 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.499 -0.926 . . . . 43.18 108.499 174.562 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 N--CA 1.475 0.786 0 O-C-N 123.609 0.568 . . . . 53.390000000000001 111.04 -173.976 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . 0.414 ' O ' ' OE2' ' A' ' 97' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . 0.51 ' O ' ' HB2' ' A' ' 34' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . 0.479 ' O ' ' N ' ' Q' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 121.608 0.718 . . . . 63.689999999999998 112.835 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 mt -94.15 113.02 27.95 Favored 'Isoleucine or valine' 0 C--O 1.26 1.63 0 N-CA-C 112.573 0.583 . . . . 65.329999999999998 112.573 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 4' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 5' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' Q' ' 5' ' ' PHE . 3.2 m-85 -109.85 145.98 35.86 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 104.872 -2.269 . . . . 62.350000000000001 104.872 166.523 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.74 145.17 56.0 Favored Pre-proline 0 N--CA 1.473 0.716 0 N-CA-C 103.978 -2.601 . . . . 54.68 103.978 -173.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 7' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.12 166.28 23.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.994 2.463 . . . . 56.829999999999998 111.36 -177.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 C--O 1.261 1.666 0 N-CA-C 114.702 1.371 . . . . 64.920000000000002 114.702 -169.496 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Q' Q ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Q' Q ' 38' ' ' HOH . . . . . 0.444 ' O ' HG22 ' Q' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Q' Q ' 2' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 180' ' ' HOH . 1.6 m . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 112.156 0.428 . . . . 58.340000000000003 112.156 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Q' Q ' 3' ' ' ILE . . . . . . . . . . . . . 44.3 mt -131.26 131.82 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 104.797 -2.297 . . . . 51.810000000000002 104.797 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Q' Q ' 4' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Q' Q ' 5' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' P' ' 5' ' ' PHE . 66.6 m-85 -123.31 158.24 31.43 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.157 1.383 . . . . 51.0 109.368 -176.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Q' Q ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -141.22 153.62 66.7 Favored Pre-proline 0 C--O 1.241 0.608 0 N-CA-C 104.362 -2.458 . . . . 59.259999999999998 104.362 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Q' Q ' 7' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo . . . . . 0 C--N 1.354 0.835 0 O-C-N 122.269 0.615 . . . . 63.18 112.302 168.205 . . . . . . . . 0 0 . 1 stop_ save_