data_6irj_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6irj _Structure_validation_residue.Date_analyzed 2019-05-17 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 ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 tttm . . . . . 0 CA--C 1.507 -0.696 0 N-CA-C 108.649 -0.871 . . . . 65.04 108.649 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -98.4 114.87 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 106.837 -1.542 . . . . 48.68 106.837 171.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -77.3 145.61 37.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.212 0.53 . . . . 52.02 110.746 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.67 154.03 50.9 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 119.741 -1.219 . . . . 50.23 110.798 156.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -56.06 -55.87 27.71 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.003 -0.599 . . . . 76.81 111.442 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.2 m -67.53 -33.75 75.7 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 118.861 -1.136 . . . . 49.99 112.06 179.604 -64.538 -58.799 -70.521 104.037 2.019 105.015 -55.182 -57.187 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -60.63 -45.45 94.01 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.522 0.677 . . . . 50.88 110.028 177.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.87 -43.57 87.96 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.664 -0.814 . . . . 48.74 110.933 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -44.95 76.54 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 119.379 -0.928 . . . . 47.2 110.639 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.44 96.79 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.112 -0.635 . . . . 50.21 111.349 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.59 97.76 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 119.836 -0.745 . . . . 60.21 111.017 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.5 mtt -68.95 -41.3 78.18 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 118.455 -1.298 . . . . 49.7 110.112 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -58.7 -43.76 90.15 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.418 -0.513 . . . . 88.31 111.403 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.83 -29.13 70.49 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.4 -0.92 . . . . 73.77 111.169 -179.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -91.99 5.0 51.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 112.572 0.582 . . . . 68.39 112.572 -177.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.23 18.58 38.8 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 115.367 0.907 . . . . 53.55 115.367 167.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.0 mt -83.5 -19.76 35.18 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 118.47 1.135 . . . . 50.93 113.24 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -67.53 118.27 10.61 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.544 -1.28 . . . . 71.77 107.544 -174.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 68.26 17.19 9.33 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 112.712 0.634 . . . . 64.21 112.712 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.13 122.18 17.25 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.303 -0.999 . . . . 62.88 108.303 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 54.58 30.29 12.9 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.839 0.828 . . . . 145.25 110.8 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.49 4.99 85.29 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 115.561 0.984 . . . . 44.05 115.561 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -97.38 113.56 25.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 118.166 0.983 . . . . 39.52 109.34 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.0 p -65.47 159.89 23.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.268 -0.878 . . . . 48.0 109.854 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 tp -55.53 -39.62 70.77 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.054 -0.975 . . . . 49.9 112.381 -173.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.53 -35.39 44.8 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 119.393 -1.384 . . . . 38.96 113.478 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -60.79 -41.84 96.41 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.459 -1.024 . . . . 44.31 111.567 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -71.61 -40.19 69.99 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 116.149 -0.478 . . . . 42.63 110.885 -175.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.8 -44.87 96.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-O 121.277 0.561 . . . . 41.4 110.04 176.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.7 t -59.69 -44.63 93.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.82 -0.55 . . . . 36.06 111.267 177.588 -176.778 -88.609 -93.887 104.531 1.987 101.604 -78.685 -55.442 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.6 96.59 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.027 -0.669 . . . . 38.25 111.288 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.58 -35.71 80.86 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.434 -0.506 . . . . 36.24 110.709 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' NZ ' ' OD1' ' A' ' 55' ' ' ASN . 56.0 tptt -60.8 -46.36 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.385 -0.926 . . . . 60.87 110.51 179.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -89.04 -18.89 26.4 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.188 -1.005 . . . . 49.09 112.637 -173.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -77.19 -43.81 32.38 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 118.502 -1.279 . . . . 40.98 110.464 174.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.8 p -134.96 2.5 3.11 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.705 1.372 . . . . 40.48 114.705 -166.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' OD1' ' NZ ' ' A' ' 51' ' ' LYS . 12.4 t-20 47.48 39.83 10.13 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.834 0.853 . . . . 61.48 111.08 -167.433 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 68.86 20.31 8.02 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.596 0.758 . . . . 43.67 112.933 173.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -103.03 116.72 33.07 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.452 -1.314 . . . . 45.08 107.452 -173.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 102' ' ' LEU . 55.8 p -68.89 -17.03 63.91 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.009 -1.076 . . . . 43.26 111.805 -178.399 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -94.85 4.76 53.43 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 118.316 0.507 . . . . 40.96 111.925 -174.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 133.57 53.86 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.688 0.756 . . . . 37.98 110.882 -176.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 p -133.73 150.4 51.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 122.215 1.007 . . . . 41.77 108.467 169.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -151.06 133.39 15.4 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.626 -1.25 . . . . 46.78 107.626 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -88.34 137.63 32.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 124.757 1.286 . . . . 62.33 109.44 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -96.56 166.5 11.64 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.826 0.822 . . . . 49.11 111.415 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -55.45 -45.6 76.85 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 114.641 -1.163 . . . . 72.97 111.035 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -74.64 4.02 6.88 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.899 0.703 . . . . 59.54 112.899 -173.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.65 -5.72 79.94 Favored Glycine 0 N--CA 1.437 -1.248 0 CA-C-O 118.902 -0.943 . . . . 51.68 114.271 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 92.3 p -71.84 165.06 24.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 118.08 0.94 . . . . 46.01 108.857 169.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . 0.427 ' HB ' ' CE1' ' A' ' 71' ' ' TYR . 99.6 m -131.91 143.35 50.07 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 106.889 -1.523 . . . . 38.92 106.889 -177.526 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -99.73 140.21 34.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 123.872 0.732 . . . . 46.08 109.315 173.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . 0.427 ' CE1' ' HB ' ' A' ' 69' ' ' THR . 93.5 m-85 -128.18 129.34 46.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.715 -0.675 . . . . 39.78 112.181 -169.398 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.97 -170.6 33.42 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 119.722 -1.227 . . . . 40.03 112.566 158.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tt -63.03 -27.71 43.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 113.934 -1.133 . . . . 55.1 110.912 -170.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.2 mt -111.63 10.47 21.11 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.365 -0.835 . . . . 59.97 112.596 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 54.68 52.56 11.97 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.95 1.357 . . . . 38.29 110.39 168.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.5 mt -77.56 134.4 28.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 113.706 -1.588 . . . . 57.09 109.147 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . 0.559 ' OD1' ' HB3' ' A' ' 79' ' ' ARG . 24.0 t-20 -93.03 135.39 34.24 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.132 -0.94 . . . . 57.2 112.166 -166.779 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.7 p -75.22 -14.04 60.5 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.331 -0.849 . . . . 37.7 111.79 -175.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . 0.559 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . 19.3 ttm-85 -64.96 -30.51 71.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 118.733 -1.187 . . . . 76.13 110.491 -179.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -118.64 -34.06 4.09 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 115.279 1.585 . . . . 90.74 115.279 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . 0.498 ' CE2' HG12 ' A' ' 116' ' ' ILE . 83.1 m95 -111.03 -19.73 12.65 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 115.658 1.725 . . . . 48.22 115.658 -152.581 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.6 p -150.64 164.03 37.08 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.839 -1.541 . . . . 40.15 106.839 -176.562 61.487 82.59 96.434 105.164 2.023 103.907 -61.637 -63.268 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -105.3 121.72 44.46 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.995 -1.002 . . . . 59.12 109.131 -176.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -118.65 6.92 11.63 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.196 -0.602 . . . . 40.28 111.573 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.04 1.15 47.46 Favored Glycine 0 C--O 1.245 0.842 0 N-CA-C 116.227 1.251 . . . . 43.14 116.227 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -139.29 25.83 2.43 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.013 1.407 . . . . 55.3 111.99 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.6 m -125.33 79.76 66.1 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 105.424 -2.065 . . . . 53.62 105.424 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -59.53 138.23 82.53 Favored 'Trans proline' 0 CA--C 1.514 -0.483 0 O-C-N 122.873 0.933 . . . . 57.48 111.881 -172.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.9 14.0 82.02 Favored Glycine 0 CA--C 1.503 -0.711 0 CA-C-N 115.266 -0.879 . . . . 68.24 113.926 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 98.4 p -87.7 162.19 17.22 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 122.182 0.991 . . . . 56.11 110.075 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 -97.72 164.15 12.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.845 -1.07 . . . . 92.14 109.008 173.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -130.88 66.36 1.53 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 106.828 -1.545 . . . . 51.51 106.828 175.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.2 mt -71.57 -21.13 61.91 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.163 -1.015 . . . . 55.21 112.791 -171.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 81' ' ' TRP . 75.7 m -89.27 -1.72 58.18 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 119.431 1.014 . . . . 45.83 111.76 174.156 -71.159 172.271 82.774 102.124 2.014 106.408 51.725 -171.995 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 44.98 58.63 3.91 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 123.233 1.492 . . . . 72.08 111.359 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.5 pt -143.95 150.8 50.8 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.841 -1.54 . . . . 53.89 106.841 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -68.57 141.94 51.99 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 N-CA-C 109.547 -0.982 . . . . 48.22 109.547 164.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 74.2 m -60.09 -32.0 70.56 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 118.9 -1.12 . . . . 38.61 109.96 -177.581 -63.268 -61.637 96.434 103.907 2.023 105.164 82.59 61.487 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.0 p -57.7 -28.53 63.9 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.122 -1.031 . . . . 43.5 111.585 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.69 -24.87 67.04 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.744 -0.783 . . . . 52.57 111.179 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 71.4 mt -76.21 -4.38 41.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.677 0.992 . . . . 51.63 113.677 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' THR . 49.5 mt -100.62 2.97 42.19 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 119.025 0.829 . . . . 49.24 111.909 -179.634 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.4 t -71.01 152.29 43.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.958 0.885 . . . . 54.66 111.497 -174.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.3 p -54.41 -30.34 52.0 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.789 -1.096 . . . . 57.36 111.806 169.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -88.13 115.47 25.63 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.394 -1.336 . . . . 54.61 107.394 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 322' ' ' HOH . 47.7 pt -83.38 7.39 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 118.735 -1.186 . . . . 60.86 112.144 -170.849 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.9 m -54.4 -48.19 71.86 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.001 -0.679 . . . . 52.92 111.132 -173.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.63 91.45 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 119.437 -0.905 . . . . 46.26 110.988 -174.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.3 m -61.34 -45.06 95.99 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.926 0.393 . . . . 47.17 111.618 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.5 t -61.95 -49.72 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.113 0.483 . . . . 62.77 110.463 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.48 -38.54 90.25 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.155 -0.618 . . . . 58.42 111.096 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 37.5 t -69.04 -42.57 76.13 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.966 -0.693 . . . . 40.07 110.518 176.58 -171.995 51.725 82.774 106.408 2.014 102.124 172.271 -71.159 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.14 71.08 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.797 -0.761 . . . . 40.13 111.552 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -62.66 -37.61 87.08 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 120.484 -0.486 . . . . 54.52 110.834 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -68.42 -40.41 81.23 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.46 -0.496 . . . . 69.1 112.059 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ILE . . . . . 0.498 HG12 ' CE2' ' A' ' 81' ' ' TRP . 97.1 mt -64.98 -46.6 91.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 121.406 -0.809 . . . . 43.13 110.909 -178.321 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.4 p -70.1 -17.43 20.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 O-C-N 122.224 -0.298 . . . . 46.66 110.996 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.5 m -88.63 -4.05 58.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.296 0.85 . . . . 54.79 113.296 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 119' ' ' ASP . 20.5 p30 -88.68 7.95 31.08 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.326 0.861 . . . . 54.14 113.326 -166.229 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 118.69 -25.24 8.12 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.245 -0.753 . . . . 59.69 114.072 171.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -105.34 4.95 31.45 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 120.051 -0.66 . . . . 66.71 112.67 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 59.53 -147.84 42.29 Favored Glycine 0 N--CA 1.421 -2.312 0 N-CA-C 110.086 -1.206 . . . . 42.74 110.086 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 55.0 mtp -79.49 -2.65 43.09 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.903 -0.648 . . . . 39.25 112.508 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -60.83 -15.77 33.82 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 119.449 -0.9 . . . . 42.28 112.187 172.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.96 -26.93 50.31 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.215 0.461 . . . . 45.15 111.958 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 15.2 m-90 -98.21 109.56 22.3 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.731 -0.84 . . . . 50.95 108.731 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.68 -38.24 78.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 119.548 -0.861 . . . . 56.0 110.163 -174.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.85 86.13 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.956 -0.698 . . . . 46.75 110.097 -177.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' TRP . . . . . 0.427 ' CD1' ' HB2' ' A' ' 133' ' ' CYS . 86.6 t90 -62.35 -49.19 76.54 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 119.819 -0.752 . . . . 44.48 110.813 176.165 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 301' ' ' HOH . 28.0 ttp-105 -55.37 -44.41 76.0 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.521 -0.737 . . . . 70.27 110.678 178.604 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -89.95 -16.79 29.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 119.036 -1.066 . . . . 45.06 113.697 -168.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -134.82 -9.67 2.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.338 1.236 . . . . 45.95 114.338 -170.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' CYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 129' ' ' TRP . 59.9 m -119.71 -43.24 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 119.011 0.823 . . . . 37.03 112.641 178.757 -55.442 -78.685 -93.887 101.604 1.987 104.531 -88.609 -176.778 2 2 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -54.21 127.39 26.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.964 0.411 . . . . 53.31 111.412 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 81.76 0.34 89.23 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.34 -0.846 . . . . 50.75 114.728 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 17.3 p -97.7 173.48 7.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 118.535 1.168 . . . . 50.58 109.604 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ASP . . . . . 0.439 ' OD2' ' NH2' ' A' ' 143' ' ' ARG . 30.8 t0 -79.82 85.84 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.323 -1.362 . . . . 56.29 107.323 175.714 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.67 -20.78 18.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 C-N-CA 119.943 -0.703 . . . . 52.16 111.651 -175.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -57.36 -24.83 57.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.037 -1.065 . . . . 67.69 111.259 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.07 60.34 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.239 -0.584 . . . . 50.56 111.847 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -70.87 -19.74 62.59 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.637 0.977 . . . . 49.52 113.637 -177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 9.5 pt -110.25 3.09 9.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 119.082 0.855 . . . . 61.23 111.944 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ARG . . . . . 0.439 ' NH2' ' OD2' ' A' ' 137' ' ' ASP . 12.1 ttm180 -62.3 139.12 58.53 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.324 0.583 . . . . 80.52 109.892 179.75 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.84 -8.18 51.34 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-O 118.89 -0.95 . . . . 68.42 115.419 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 63.7 m -83.78 138.63 33.15 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 119.012 1.406 . . . . 56.54 110.197 -178.128 -57.187 -55.182 -70.521 105.015 2.019 104.037 -58.799 -64.538 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.13 102.04 10.02 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 107.08 -1.452 . . . . 84.07 107.08 174.697 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.438 -1.043 0 CA-C-N 114.299 -1.319 . . . . 73.13 113.027 170.004 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.497 ' O ' ' NE ' ' A' ' 130' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . 0.427 ' O ' ' HA ' ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 tttm . . . . . 0 CA--C 1.507 -0.696 0 N-CA-C 108.649 -0.871 . . . . 54.18 108.649 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -98.4 114.87 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 106.837 -1.542 . . . . 41.74 106.837 171.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -77.3 145.61 37.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.212 0.53 . . . . 43.33 110.746 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.67 154.03 50.9 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 119.741 -1.219 . . . . 41.84 110.798 156.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -56.06 -55.87 27.71 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.003 -0.599 . . . . 63.99 111.442 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.2 m -67.53 -33.75 75.7 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 118.861 -1.136 . . . . 42.3 112.06 179.604 -64.538 -58.799 -70.521 104.037 2.019 105.015 -55.182 -57.187 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -60.63 -45.45 94.01 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.522 0.677 . . . . 48.52 110.028 177.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.87 -43.57 87.96 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.664 -0.814 . . . . 40.59 110.933 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -44.95 76.54 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 119.379 -0.928 . . . . 39.31 110.639 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.44 96.79 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.112 -0.635 . . . . 41.82 111.349 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.59 97.76 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 119.836 -0.745 . . . . 50.15 111.017 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.5 mtt -68.95 -41.3 78.18 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 118.455 -1.298 . . . . 41.39 110.112 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -58.7 -43.76 90.15 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.418 -0.513 . . . . 73.57 111.403 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.83 -29.13 70.49 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.4 -0.92 . . . . 61.45 111.169 -179.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . 0.592 ' HB3' HG11 ' A' ' 110' ' ' VAL . 24.2 m80 -91.99 5.0 51.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 112.572 0.582 . . . . 60.21 112.572 -177.13 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.23 18.58 38.8 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 115.367 0.907 . . . . 44.6 115.367 167.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.0 mt -83.5 -19.76 35.18 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 118.47 1.135 . . . . 42.42 113.24 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -67.53 118.27 10.61 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.544 -1.28 . . . . 62.5 107.544 -174.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 68.26 17.19 9.33 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 112.712 0.634 . . . . 55.53 112.712 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.13 122.18 17.25 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.303 -0.999 . . . . 56.65 108.303 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 54.58 30.29 12.9 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.839 0.828 . . . . 121.02 110.8 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.49 4.99 85.29 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 115.561 0.984 . . . . 36.95 115.561 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -97.38 113.56 25.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 118.166 0.983 . . . . 33.81 109.34 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.0 p -65.47 159.89 23.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.268 -0.878 . . . . 39.97 109.854 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 tp -55.53 -39.62 70.77 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.054 -0.975 . . . . 41.56 112.381 -173.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.53 -35.39 44.8 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 119.393 -1.384 . . . . 32.45 113.478 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -60.79 -41.84 96.41 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.459 -1.024 . . . . 36.9 111.567 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -71.61 -40.19 69.99 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 116.149 -0.478 . . . . 35.51 110.885 -175.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.8 -44.87 96.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-O 121.277 0.561 . . . . 34.48 110.04 176.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.7 t -59.69 -44.63 93.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.82 -0.55 . . . . 31.02 111.267 177.588 -176.778 -88.609 -93.887 104.531 1.987 101.604 -78.685 -55.442 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.6 96.59 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.027 -0.669 . . . . 31.86 111.288 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.58 -35.71 80.86 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.434 -0.506 . . . . 30.94 110.709 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -60.8 -46.36 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.385 -0.926 . . . . 50.71 110.51 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -89.04 -18.89 26.4 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.188 -1.005 . . . . 40.89 112.637 -173.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -77.19 -43.81 32.38 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 118.502 -1.279 . . . . 36.19 110.464 174.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.8 p -134.96 2.5 3.11 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.705 1.372 . . . . 33.71 114.705 -166.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 47.48 39.83 10.13 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.834 0.853 . . . . 51.21 111.08 -167.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 68.86 20.31 8.02 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.596 0.758 . . . . 36.37 112.933 173.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -103.03 116.72 33.07 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.452 -1.314 . . . . 37.55 107.452 -173.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 102' ' ' LEU . 55.8 p -68.89 -17.03 63.91 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.009 -1.076 . . . . 36.03 111.805 -178.399 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -94.85 4.76 53.43 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 118.316 0.507 . . . . 40.53 111.925 -174.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 133.57 53.86 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.688 0.756 . . . . 31.63 110.882 -176.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 p -133.73 150.4 51.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 122.215 1.007 . . . . 34.79 108.467 169.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -151.06 133.39 15.4 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.626 -1.25 . . . . 43.76 107.626 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -88.34 137.63 32.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 124.757 1.286 . . . . 51.92 109.44 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -96.56 166.5 11.64 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.826 0.822 . . . . 43.33 111.415 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -55.45 -45.6 76.85 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 114.641 -1.163 . . . . 60.78 111.035 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -74.64 4.02 6.88 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.899 0.703 . . . . 57.68 112.899 -173.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.65 -5.72 79.94 Favored Glycine 0 N--CA 1.437 -1.248 0 CA-C-O 118.902 -0.943 . . . . 43.04 114.271 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 92.3 p -71.84 165.06 24.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 118.08 0.94 . . . . 38.32 108.857 169.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . 0.426 ' HB ' ' CE1' ' A' ' 71' ' ' TYR . 99.6 m -131.91 143.35 50.07 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 106.889 -1.523 . . . . 32.41 106.889 -177.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -99.73 140.21 34.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 123.872 0.732 . . . . 46.08 109.315 173.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . 0.426 ' CE1' ' HB ' ' A' ' 69' ' ' THR . 93.5 m-85 -128.18 129.34 46.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.715 -0.675 . . . . 33.13 112.181 -169.398 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.97 -170.6 33.42 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 119.722 -1.227 . . . . 33.34 112.566 158.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tt -63.03 -27.71 43.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 113.934 -1.133 . . . . 45.89 110.912 -170.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.2 mt -111.63 10.47 21.11 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.365 -0.835 . . . . 49.95 112.596 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 54.68 52.56 11.97 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.95 1.357 . . . . 33.93 110.39 168.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.5 mt -77.56 134.4 28.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 113.706 -1.588 . . . . 47.55 109.147 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . 0.573 ' OD1' ' HB3' ' A' ' 79' ' ' ARG . 24.0 t-20 -93.03 135.39 34.24 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.132 -0.94 . . . . 57.2 112.166 -166.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.7 p -75.22 -14.04 60.5 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.331 -0.849 . . . . 36.85 111.79 -175.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . 0.573 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . 19.3 ttm-85 -64.96 -30.51 71.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 118.733 -1.187 . . . . 63.42 110.491 -179.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -118.64 -34.06 4.09 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 115.279 1.585 . . . . 75.6 115.279 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . 0.494 ' CE2' HG12 ' A' ' 116' ' ' ILE . 83.1 m95 -111.03 -19.73 12.65 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 115.658 1.725 . . . . 40.16 115.658 -152.581 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.6 p -150.64 164.03 37.08 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.839 -1.541 . . . . 33.44 106.839 -176.562 61.487 82.59 96.434 105.164 2.023 103.907 -61.637 -63.268 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -105.3 121.72 44.46 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.995 -1.002 . . . . 49.25 109.131 -176.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -118.65 6.92 11.63 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.196 -0.602 . . . . 36.3 111.573 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.04 1.15 47.46 Favored Glycine 0 C--O 1.245 0.842 0 N-CA-C 116.227 1.251 . . . . 42.94 116.227 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -139.29 25.83 2.43 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.013 1.407 . . . . 46.06 111.99 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.6 m -125.33 79.76 66.1 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 105.424 -2.065 . . . . 44.67 105.424 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -59.53 138.23 82.53 Favored 'Trans proline' 0 CA--C 1.514 -0.483 0 O-C-N 122.873 0.933 . . . . 49.77 111.881 -172.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.9 14.0 82.02 Favored Glycine 0 CA--C 1.503 -0.711 0 CA-C-N 115.266 -0.879 . . . . 56.84 113.926 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 98.4 p -87.7 162.19 17.22 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 122.182 0.991 . . . . 46.74 110.075 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 -97.72 164.15 12.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.845 -1.07 . . . . 80.41 109.008 173.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -130.88 66.36 1.53 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 106.828 -1.545 . . . . 42.9 106.828 175.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.2 mt -71.57 -21.13 61.91 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.163 -1.015 . . . . 45.99 112.791 -171.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 81' ' ' TRP . 75.7 m -89.27 -1.72 58.18 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 119.431 1.014 . . . . 38.17 111.76 174.156 -71.159 172.271 82.774 102.124 2.014 106.408 51.725 -171.995 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 44.98 58.63 3.91 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 123.233 1.492 . . . . 65.26 111.359 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.5 pt -143.95 150.8 50.8 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.841 -1.54 . . . . 44.88 106.841 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -68.57 141.94 51.99 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 N-CA-C 109.547 -0.982 . . . . 40.16 109.547 164.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 74.2 m -60.09 -32.0 70.56 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 118.9 -1.12 . . . . 32.15 109.96 -177.581 -63.268 -61.637 96.434 103.907 2.023 105.164 82.59 61.487 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.0 p -57.7 -28.53 63.9 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.122 -1.031 . . . . 36.23 111.585 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.69 -24.87 67.04 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.744 -0.783 . . . . 43.79 111.179 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 71.4 mt -76.21 -4.38 41.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.677 0.992 . . . . 43.0 113.677 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 58' ' ' THR . 49.5 mt -100.62 2.97 42.19 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 119.025 0.829 . . . . 41.01 111.909 -179.634 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.4 t -71.01 152.29 43.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.958 0.885 . . . . 45.53 111.497 -174.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.3 p -54.41 -30.34 52.0 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.789 -1.096 . . . . 47.78 111.806 169.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -88.13 115.47 25.63 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.394 -1.336 . . . . 54.61 107.394 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' A' ' 322' ' ' HOH . 47.7 pt -83.38 7.39 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 118.735 -1.186 . . . . 50.7 112.144 -170.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.9 m -54.4 -48.19 71.86 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.001 -0.679 . . . . 44.08 111.132 -173.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.63 91.45 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 119.437 -0.905 . . . . 38.53 110.988 -174.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.3 m -61.34 -45.06 95.99 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.926 0.393 . . . . 39.28 111.618 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . 0.592 HG11 ' HB3' ' A' ' 33' ' ' HIS . 40.5 t -61.95 -49.72 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.113 0.483 . . . . 52.29 110.463 -179.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.48 -38.54 90.25 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.155 -0.618 . . . . 48.86 111.096 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 37.5 t -69.04 -42.57 76.13 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.966 -0.693 . . . . 35.21 110.518 176.58 -171.995 51.725 82.774 106.408 2.014 102.124 172.271 -71.159 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.14 71.08 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.797 -0.761 . . . . 33.42 111.552 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -62.66 -37.61 87.08 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 120.484 -0.486 . . . . 45.41 110.834 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -68.42 -40.41 81.23 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.46 -0.496 . . . . 57.56 112.059 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ILE . . . . . 0.494 HG12 ' CE2' ' A' ' 81' ' ' TRP . 97.1 mt -64.98 -46.6 91.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 121.406 -0.809 . . . . 35.92 110.909 -178.321 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.4 p -70.1 -17.43 20.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 O-C-N 122.224 -0.298 . . . . 40.74 110.996 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.5 m -88.63 -4.05 58.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.296 0.85 . . . . 48.02 113.296 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 119' ' ' ASP . 20.5 p30 -88.68 7.95 31.08 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.326 0.861 . . . . 53.12 113.326 -166.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 118.69 -25.24 8.12 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.245 -0.753 . . . . 50.4 114.072 171.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -105.34 4.95 31.45 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 120.051 -0.66 . . . . 55.57 112.67 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 59.53 -147.84 42.29 Favored Glycine 0 N--CA 1.421 -2.312 0 N-CA-C 110.086 -1.206 . . . . 35.59 110.086 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 55.0 mtp -79.49 -2.65 43.09 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.903 -0.648 . . . . 33.66 112.508 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -60.83 -15.77 33.82 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 119.449 -0.9 . . . . 35.21 112.187 172.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.96 -26.93 50.31 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.215 0.461 . . . . 37.7 111.958 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 15.2 m-90 -98.21 109.56 22.3 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.731 -0.84 . . . . 42.44 108.731 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' VAL . . . . . 0.416 HG23 ' NH2' ' A' ' 130' ' ' ARG . 11.1 p -60.68 -38.24 78.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 119.548 -0.861 . . . . 46.64 110.163 -174.321 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.85 86.13 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.956 -0.698 . . . . 38.94 110.097 -177.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' TRP . . . . . 0.437 ' CD1' ' HB2' ' A' ' 133' ' ' CYS . 86.6 t90 -62.35 -49.19 76.54 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 119.819 -0.752 . . . . 37.04 110.813 176.165 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 301' ' ' HOH . 28.0 ttp-105 -55.37 -44.41 76.0 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.521 -0.737 . . . . 58.54 110.678 178.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -89.95 -16.79 29.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 119.036 -1.066 . . . . 37.53 113.697 -168.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -134.82 -9.67 2.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.338 1.236 . . . . 38.27 114.338 -170.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' CYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 129' ' ' TRP . 59.9 m -119.71 -43.24 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 119.011 0.823 . . . . 36.1 112.641 178.757 -55.442 -78.685 -93.887 101.604 1.987 104.531 -88.609 -176.778 2 2 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -54.21 127.39 26.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.964 0.411 . . . . 44.41 111.412 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 81.76 0.34 89.23 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.34 -0.846 . . . . 46.67 114.728 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 17.3 p -97.7 173.48 7.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 118.535 1.168 . . . . 42.13 109.604 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ASP . . . . . 0.439 ' OD2' ' NH2' ' A' ' 143' ' ' ARG . 30.8 t0 -79.82 85.84 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.323 -1.362 . . . . 56.29 107.323 175.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.67 -20.78 18.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 C-N-CA 119.943 -0.703 . . . . 43.44 111.651 -175.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -57.36 -24.83 57.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.037 -1.065 . . . . 60.06 111.259 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.07 60.34 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.239 -0.584 . . . . 42.11 111.847 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -70.87 -19.74 62.59 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.637 0.977 . . . . 41.24 113.637 -177.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 9.5 pt -110.25 3.09 9.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 119.082 0.855 . . . . 51.0 111.944 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ARG . . . . . 0.439 ' NH2' ' OD2' ' A' ' 137' ' ' ASP . 12.1 ttm180 -62.3 139.12 58.53 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.324 0.583 . . . . 67.07 109.892 179.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.84 -8.18 51.34 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-O 118.89 -0.95 . . . . 57.0 115.419 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 63.7 m -83.78 138.63 33.15 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 119.012 1.406 . . . . 56.33 110.197 -178.128 -57.187 -55.182 -70.521 105.015 2.019 104.037 -58.799 -64.538 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.13 102.04 10.02 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 107.08 -1.452 . . . . 70.04 107.08 174.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.438 -1.043 0 CA-C-N 114.299 -1.319 . . . . 73.11 113.027 170.004 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.497 ' O ' ' NE ' ' A' ' 130' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . 0.434 ' O ' ' HA ' ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 tttm . . . . . 0 CA--C 1.507 -0.696 0 N-CA-C 108.649 -0.871 . . . . 54.18 108.649 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -98.4 114.87 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 106.837 -1.542 . . . . 41.74 106.837 171.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -77.3 145.61 37.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.212 0.53 . . . . 43.33 110.746 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.67 154.03 50.9 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 119.741 -1.219 . . . . 41.84 110.798 156.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -56.06 -55.87 27.71 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.003 -0.599 . . . . 63.99 111.442 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.2 m -67.53 -33.75 75.7 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 118.861 -1.136 . . . . 42.3 112.06 179.604 -64.538 -58.799 -70.521 104.037 2.019 105.015 -55.182 -57.187 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -60.63 -45.45 94.01 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.522 0.677 . . . . 48.52 110.028 177.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.87 -43.57 87.96 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.664 -0.814 . . . . 40.59 110.933 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -44.95 76.54 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 119.379 -0.928 . . . . 39.31 110.639 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.44 96.79 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.112 -0.635 . . . . 41.82 111.349 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.59 97.76 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 119.836 -0.745 . . . . 50.15 111.017 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.5 mtt -68.95 -41.3 78.18 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 118.455 -1.298 . . . . 41.39 110.112 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -58.7 -43.76 90.15 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.418 -0.513 . . . . 73.57 111.403 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.83 -29.13 70.49 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.4 -0.92 . . . . 61.45 111.169 -179.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.592 ' HB3' HG11 ' A' ' 110' ' ' VAL . 24.2 m80 -91.99 5.0 51.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 112.572 0.582 . . . . 60.21 112.572 -177.13 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.23 18.58 38.8 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 115.367 0.907 . . . . 44.6 115.367 167.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.0 mt -83.5 -19.76 35.18 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 118.47 1.135 . . . . 42.42 113.24 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -67.53 118.27 10.61 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.544 -1.28 . . . . 62.5 107.544 -174.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 68.26 17.19 9.33 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 112.712 0.634 . . . . 55.53 112.712 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.13 122.18 17.25 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.303 -0.999 . . . . 56.65 108.303 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 54.58 30.29 12.9 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.839 0.828 . . . . 121.02 110.8 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.49 4.99 85.29 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 115.561 0.984 . . . . 36.95 115.561 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -97.38 113.56 25.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 118.166 0.983 . . . . 33.81 109.34 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.0 p -65.47 159.89 23.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.268 -0.878 . . . . 39.97 109.854 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 tp -55.53 -39.62 70.77 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.054 -0.975 . . . . 41.56 112.381 -173.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.53 -35.39 44.8 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 119.393 -1.384 . . . . 32.45 113.478 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -60.79 -41.84 96.41 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.459 -1.024 . . . . 36.9 111.567 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -71.61 -40.19 69.99 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 116.149 -0.478 . . . . 35.51 110.885 -175.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.8 -44.87 96.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-O 121.277 0.561 . . . . 34.48 110.04 176.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.7 t -59.69 -44.63 93.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.82 -0.55 . . . . 31.02 111.267 177.588 -176.778 -88.609 -93.887 104.531 1.987 101.604 -78.685 -55.442 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.6 96.59 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.027 -0.669 . . . . 31.86 111.288 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.58 -35.71 80.86 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.434 -0.506 . . . . 30.94 110.709 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -60.8 -46.36 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.385 -0.926 . . . . 50.71 110.51 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -89.04 -18.89 26.4 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.188 -1.005 . . . . 40.89 112.637 -173.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -77.19 -43.81 32.38 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 118.502 -1.279 . . . . 36.19 110.464 174.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.8 p -134.96 2.5 3.11 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.705 1.372 . . . . 33.71 114.705 -166.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 47.48 39.83 10.13 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.834 0.853 . . . . 51.21 111.08 -167.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 68.86 20.31 8.02 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.596 0.758 . . . . 36.37 112.933 173.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -103.03 116.72 33.07 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.452 -1.314 . . . . 37.55 107.452 -173.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 102' ' ' LEU . 55.8 p -68.89 -17.03 63.91 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.009 -1.076 . . . . 36.03 111.805 -178.399 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -94.85 4.76 53.43 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 118.316 0.507 . . . . 40.53 111.925 -174.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 133.57 53.86 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.688 0.756 . . . . 31.63 110.882 -176.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.6 p -133.73 150.4 51.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 122.215 1.007 . . . . 34.79 108.467 169.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -151.06 133.39 15.4 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.626 -1.25 . . . . 43.76 107.626 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -88.34 137.63 32.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 124.757 1.286 . . . . 51.92 109.44 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -96.56 166.5 11.64 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.826 0.822 . . . . 43.33 111.415 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -55.45 -45.6 76.85 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 114.641 -1.163 . . . . 60.78 111.035 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -74.64 4.02 6.88 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.899 0.703 . . . . 57.68 112.899 -173.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.65 -5.72 79.94 Favored Glycine 0 N--CA 1.437 -1.248 0 CA-C-O 118.902 -0.943 . . . . 43.04 114.271 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 92.3 p -71.84 165.06 24.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 118.08 0.94 . . . . 38.32 108.857 169.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . 0.426 ' HB ' ' CE1' ' A' ' 71' ' ' TYR . 99.6 m -131.91 143.35 50.07 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 106.889 -1.523 . . . . 32.41 106.889 -177.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -99.73 140.21 34.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 123.872 0.732 . . . . 46.08 109.315 173.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.426 ' CE1' ' HB ' ' A' ' 69' ' ' THR . 93.5 m-85 -128.18 129.34 46.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.715 -0.675 . . . . 33.13 112.181 -169.398 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.97 -170.6 33.42 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 119.722 -1.227 . . . . 33.34 112.566 158.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tt -63.03 -27.71 43.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 113.934 -1.133 . . . . 45.89 110.912 -170.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.2 mt -111.63 10.47 21.11 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.365 -0.835 . . . . 49.95 112.596 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 54.68 52.56 11.97 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.95 1.357 . . . . 33.93 110.39 168.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.5 mt -77.56 134.4 28.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 113.706 -1.588 . . . . 47.55 109.147 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.573 ' OD1' ' HB3' ' A' ' 79' ' ' ARG . 24.0 t-20 -93.03 135.39 34.24 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.132 -0.94 . . . . 57.2 112.166 -166.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.7 p -75.22 -14.04 60.5 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.331 -0.849 . . . . 36.85 111.79 -175.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.573 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . 19.3 ttm-85 -64.96 -30.51 71.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 118.733 -1.187 . . . . 63.42 110.491 -179.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -118.64 -34.06 4.09 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 115.279 1.585 . . . . 75.6 115.279 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.494 ' CE2' HG12 ' A' ' 116' ' ' ILE . 83.1 m95 -111.03 -19.73 12.65 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 115.658 1.725 . . . . 40.16 115.658 -152.581 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.6 p -150.64 164.03 37.08 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.839 -1.541 . . . . 33.44 106.839 -176.562 61.487 82.59 96.434 105.164 2.023 103.907 -61.637 -63.268 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -105.3 121.72 44.46 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.995 -1.002 . . . . 49.25 109.131 -176.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -118.65 6.92 11.63 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.196 -0.602 . . . . 36.3 111.573 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.04 1.15 47.46 Favored Glycine 0 C--O 1.245 0.842 0 N-CA-C 116.227 1.251 . . . . 42.94 116.227 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -139.29 25.83 2.43 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.013 1.407 . . . . 46.06 111.99 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.6 m -125.33 79.76 66.1 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 105.424 -2.065 . . . . 44.67 105.424 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -59.53 138.23 82.53 Favored 'Trans proline' 0 CA--C 1.514 -0.483 0 O-C-N 122.873 0.933 . . . . 49.77 111.881 -172.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.9 14.0 82.02 Favored Glycine 0 CA--C 1.503 -0.711 0 CA-C-N 115.266 -0.879 . . . . 56.84 113.926 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 98.4 p -87.7 162.19 17.22 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 122.182 0.991 . . . . 46.74 110.075 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 -97.72 164.15 12.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.845 -1.07 . . . . 80.41 109.008 173.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -130.88 66.36 1.53 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 106.828 -1.545 . . . . 42.9 106.828 175.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.2 mt -71.57 -21.13 61.91 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.163 -1.015 . . . . 45.99 112.791 -171.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 81' ' ' TRP . 75.7 m -89.27 -1.72 58.18 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 119.431 1.014 . . . . 38.17 111.76 174.156 -71.159 172.271 82.774 102.124 2.014 106.408 51.725 -171.995 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 44.98 58.63 3.91 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 123.233 1.492 . . . . 65.26 111.359 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.5 pt -143.95 150.8 50.8 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.841 -1.54 . . . . 44.88 106.841 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -68.57 141.94 51.99 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 N-CA-C 109.547 -0.982 . . . . 40.16 109.547 164.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 74.2 m -60.09 -32.0 70.56 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 118.9 -1.12 . . . . 32.15 109.96 -177.581 -63.268 -61.637 96.434 103.907 2.023 105.164 82.59 61.487 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.0 p -57.7 -28.53 63.9 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.122 -1.031 . . . . 36.23 111.585 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.69 -24.87 67.04 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.744 -0.783 . . . . 43.79 111.179 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 71.4 mt -76.21 -4.38 41.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.677 0.992 . . . . 43.0 113.677 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 58' ' ' THR . 49.5 mt -100.62 2.97 42.19 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 119.025 0.829 . . . . 41.01 111.909 -179.634 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.4 t -71.01 152.29 43.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.958 0.885 . . . . 45.53 111.497 -174.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.3 p -54.41 -30.34 52.0 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.789 -1.096 . . . . 47.78 111.806 169.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -88.13 115.47 25.63 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.394 -1.336 . . . . 54.61 107.394 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' A' ' 322' ' ' HOH . 47.7 pt -83.38 7.39 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 118.735 -1.186 . . . . 50.7 112.144 -170.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.9 m -54.4 -48.19 71.86 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.001 -0.679 . . . . 44.08 111.132 -173.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.63 91.45 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 119.437 -0.905 . . . . 38.53 110.988 -174.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.3 m -61.34 -45.06 95.99 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.926 0.393 . . . . 39.28 111.618 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.592 HG11 ' HB3' ' A' ' 33' ' ' HIS . 40.5 t -61.95 -49.72 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.113 0.483 . . . . 52.29 110.463 -179.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.48 -38.54 90.25 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.155 -0.618 . . . . 48.86 111.096 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 37.5 t -69.04 -42.57 76.13 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.966 -0.693 . . . . 35.21 110.518 176.58 -171.995 51.725 82.774 106.408 2.014 102.124 172.271 -71.159 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.14 71.08 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.797 -0.761 . . . . 33.42 111.552 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -62.66 -37.61 87.08 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 120.484 -0.486 . . . . 45.41 110.834 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -68.42 -40.41 81.23 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.46 -0.496 . . . . 57.56 112.059 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.494 HG12 ' CE2' ' A' ' 81' ' ' TRP . 97.1 mt -64.98 -46.6 91.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 121.406 -0.809 . . . . 35.92 110.909 -178.321 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.4 p -70.1 -17.43 20.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 O-C-N 122.224 -0.298 . . . . 40.74 110.996 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.5 m -88.63 -4.05 58.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.296 0.85 . . . . 48.02 113.296 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 119' ' ' ASP . 20.5 p30 -88.68 7.95 31.08 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.326 0.861 . . . . 53.12 113.326 -166.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 118.69 -25.24 8.12 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.245 -0.753 . . . . 50.4 114.072 171.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -105.34 4.95 31.45 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 120.051 -0.66 . . . . 55.57 112.67 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 59.53 -147.84 42.29 Favored Glycine 0 N--CA 1.421 -2.312 0 N-CA-C 110.086 -1.206 . . . . 35.59 110.086 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 55.0 mtp -79.49 -2.65 43.09 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.903 -0.648 . . . . 33.66 112.508 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -60.83 -15.77 33.82 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 119.449 -0.9 . . . . 35.21 112.187 172.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.96 -26.93 50.31 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.215 0.461 . . . . 37.7 111.958 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 15.2 m-90 -98.21 109.56 22.3 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.731 -0.84 . . . . 42.44 108.731 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.416 HG23 ' NH2' ' A' ' 130' ' ' ARG . 11.1 p -60.68 -38.24 78.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 119.548 -0.861 . . . . 46.64 110.163 -174.321 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.85 86.13 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.956 -0.698 . . . . 38.94 110.097 -177.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.437 ' CD1' ' HB2' ' A' ' 133' ' ' CYS . 86.6 t90 -62.35 -49.19 76.54 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 119.819 -0.752 . . . . 37.04 110.813 176.165 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 301' ' ' HOH . 28.0 ttp-105 -55.37 -44.41 76.0 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.521 -0.737 . . . . 58.54 110.678 178.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -89.95 -16.79 29.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 119.036 -1.066 . . . . 37.53 113.697 -168.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -134.82 -9.67 2.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.338 1.236 . . . . 38.27 114.338 -170.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 129' ' ' TRP . 59.9 m -119.71 -43.24 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 119.011 0.823 . . . . 36.1 112.641 178.757 -55.442 -78.685 -93.887 101.604 1.987 104.531 -88.609 -176.778 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -54.21 127.39 26.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.964 0.411 . . . . 44.41 111.412 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 81.76 0.34 89.23 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.34 -0.846 . . . . 46.67 114.728 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 17.3 p -97.7 173.48 7.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 118.535 1.168 . . . . 42.13 109.604 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.439 ' OD2' ' NH2' ' A' ' 143' ' ' ARG . 30.8 t0 -79.82 85.84 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.323 -1.362 . . . . 56.29 107.323 175.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.67 -20.78 18.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 C-N-CA 119.943 -0.703 . . . . 43.44 111.651 -175.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -57.36 -24.83 57.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.037 -1.065 . . . . 60.06 111.259 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.07 60.34 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.239 -0.584 . . . . 42.11 111.847 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -70.87 -19.74 62.59 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.637 0.977 . . . . 41.24 113.637 -177.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 9.5 pt -110.25 3.09 9.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 119.082 0.855 . . . . 51.0 111.944 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.439 ' NH2' ' OD2' ' A' ' 137' ' ' ASP . 12.1 ttm180 -62.3 139.12 58.53 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.324 0.583 . . . . 67.07 109.892 179.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.84 -8.18 51.34 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-O 118.89 -0.95 . . . . 57.0 115.419 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 63.7 m -83.78 138.63 33.15 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 119.012 1.406 . . . . 56.33 110.197 -178.128 -57.187 -55.182 -70.521 105.015 2.019 104.037 -58.799 -64.538 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.13 102.04 10.02 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 107.08 -1.452 . . . . 70.04 107.08 174.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.438 -1.043 0 CA-C-N 114.299 -1.319 . . . . 73.11 113.027 170.004 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.497 ' O ' ' NE ' ' A' ' 130' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . 0.434 ' O ' ' HA ' ' A' ' 106' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_