data_6kcb_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 6kcb _Structure_validation_residue.Date_analyzed 2020-05-15 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 . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.468 0.475 0 N-CA-C 109.984 -0.376 . . . . 50.44 109.984 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.6 t -104.71 112.14 37.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 106.889 -1.523 . . . . 37.22 106.889 173.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -76.14 150.27 37.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.53 0.681 . . . . 40.23 110.721 -177.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.09 159.13 46.94 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.152 -1.023 . . . . 38.91 111.074 159.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -58.07 -56.5 21.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.315 -0.442 . . . . 48.45 111.321 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.9 m -69.97 -30.71 68.13 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.283 -0.967 . . . . 39.41 111.888 -178.574 -63.762 -61.164 -67.299 103.486 2.021 104.59 -61.207 -52.368 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.59 -45.35 92.13 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.934 -0.307 . . . . 42.54 111.355 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.44 -39.46 77.78 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.197 -0.601 . . . . 33.89 111.285 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.67 76.58 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.02 -0.672 . . . . 33.56 110.977 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.71 90.41 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.344 -0.542 . . . . 36.92 111.504 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.83 99.65 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.268 -0.573 . . . . 35.29 111.657 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.9 mtt -69.17 -40.98 77.81 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.825 -0.75 . . . . 35.88 111.362 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -58.06 -42.81 86.29 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.579 -0.449 . . . . 57.71 111.027 177.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -65.76 -28.49 69.07 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.597 -0.274 . . . . 60.13 111.329 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -91.19 9.62 30.46 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.965 0.728 . . . . 43.62 112.965 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.23 21.48 48.91 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 116.693 1.437 . . . . 41.83 116.693 169.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.57 -15.36 37.63 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 118.906 1.353 . . . . 39.83 114.499 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -69.99 120.32 15.53 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 119.388 0.994 . . . . 54.42 109.271 -177.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 t30 60.67 23.1 12.95 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 124.752 1.221 . . . . 54.07 113.258 -174.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -67.63 125.19 25.42 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 120.963 -1.086 . . . . 42.06 109.882 174.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 51.29 31.58 7.19 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.344 0.592 . . . . 77.35 111.58 -172.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.78 3.0 77.77 Favored Glycine 0 C--O 1.239 0.428 0 N-CA-C 116.433 1.333 . . . . 34.78 116.433 174.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -99.91 113.0 25.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.912 1.356 . . . . 32.95 109.91 -176.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.1 p -65.05 159.13 23.88 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.691 0.758 . . . . 36.97 110.967 -178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.9 -38.67 65.06 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.028 -0.987 . . . . 38.34 112.217 -173.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.72 -31.25 63.76 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 119.888 -1.149 . . . . 31.47 113.929 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -63.56 -43.43 97.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.526 0.663 . . . . 31.98 111.104 178.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -68.23 -39.96 82.18 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.497 -0.32 . . . . 34.24 111.402 -177.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.0 t -68.45 -41.8 83.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.103 -0.639 . . . . 31.19 110.421 179.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.09 -43.88 91.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.985 -0.447 . . . . 29.97 111.226 175.946 -174.729 -90.979 -93.746 103.204 2.039 103.386 -78.471 -56.322 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.44 92.14 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.136 -0.626 . . . . 29.86 111.109 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.85 84.59 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.166 -0.614 . . . . 30.6 111.508 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -60.31 -48.98 79.42 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.458 -0.497 . . . . 46.47 111.345 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -85.89 -19.38 30.64 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 119.27 -0.972 . . . . 33.86 113.358 -174.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -77.85 -40.48 40.03 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.34 -0.944 . . . . 33.55 111.75 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.4 p -134.92 -2.17 2.63 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 114.409 1.263 . . . . 31.78 114.409 -168.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t30 52.67 37.1 22.64 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.021 0.828 . . . . 47.79 110.701 -169.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 67.41 23.14 9.22 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.471 1.508 . . . . 35.43 113.218 175.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -105.0 115.12 29.74 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.566 0.746 . . . . 32.34 109.292 -175.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.9 p -65.53 -19.81 66.08 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 119.055 -1.058 . . . . 34.05 112.184 -178.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -93.55 8.32 41.19 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 114.182 1.178 . . . . 35.29 114.182 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.74 135.75 53.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.21 0.913 . . . . 31.69 111.72 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.7 p -133.08 149.88 52.12 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.751 -0.833 . . . . 34.48 108.751 171.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -150.23 131.5 14.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.846 -0.615 . . . . 43.0 109.774 176.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' NE ' ' NH2' ' A' ' 86' ' ' ARG . 13.8 tpp85 -89.0 138.9 30.98 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 123.459 0.475 . . . . 53.77 110.134 -178.607 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -99.2 164.66 12.05 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 121.618 0.723 . . . . 41.1 110.529 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 p -64.51 -33.6 76.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.8 -0.76 . . . . 53.18 111.817 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -75.07 4.02 7.48 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.118 -1.033 . . . . 48.57 113.134 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.13 -12.77 67.95 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 115.467 0.947 . . . . 37.81 115.467 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.8 p -75.26 170.12 16.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.659 1.23 . . . . 35.42 109.837 174.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.3 m -135.46 145.72 47.46 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.764 -0.828 . . . . 31.34 108.764 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -101.78 141.26 34.91 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.561 0.744 . . . . 39.69 109.82 175.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -130.9 129.08 41.79 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 111.895 0.332 . . . . 30.86 111.895 -167.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.87 -168.96 33.28 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-O 123.297 1.498 . . . . 28.83 113.249 160.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.1 tt -66.23 -27.18 39.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 113.529 -1.335 . . . . 38.88 111.543 -168.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.0 mt -110.97 10.83 22.21 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 113.267 0.839 . . . . 32.28 113.267 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 53.36 54.44 10.16 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 122.294 1.045 . . . . 30.5 111.626 170.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.91 135.4 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.711 -1.131 . . . . 35.3 109.527 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -93.81 139.1 31.26 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 112.46 0.541 . . . . 44.3 112.46 -164.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.5 p -78.05 -15.17 59.15 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.156 0.799 . . . . 33.5 113.156 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -65.27 -26.41 68.08 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.14 -1.424 . . . . 58.73 112.258 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -123.27 -33.41 3.28 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 115.213 1.56 . . . . 56.03 115.213 -175.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -115.07 -20.84 10.3 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 115.362 1.615 . . . . 36.14 115.362 -156.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.2 p -148.02 161.96 40.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 119.383 0.992 . . . . 33.29 109.068 -179.903 60.921 86.173 95.647 103.319 2.042 105.091 -61.558 -62.128 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -100.89 123.05 44.51 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.382 -0.826 . . . . 44.35 110.201 -178.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -120.58 6.92 10.53 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.691 -0.804 . . . . 33.87 112.755 173.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.79 3.54 68.09 Favored Glycine 0 CA--C 1.505 -0.551 0 CA-C-O 119.168 -0.796 . . . . 40.07 115.068 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' NH2' ' NE ' ' A' ' 63' ' ' ARG . 13.4 ptt180 -143.11 25.3 1.75 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 118.622 1.211 . . . . 41.79 113.076 -178.692 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 m -120.65 84.14 36.45 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 106.518 -1.66 . . . . 42.39 106.518 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -59.48 136.38 71.14 Favored 'Trans proline' 0 N--CA 1.472 0.24 0 CA-C-O 121.389 0.495 . . . . 45.64 112.32 -172.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.13 8.68 87.68 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 115.079 0.791 . . . . 51.21 115.079 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 85.4 p -85.86 166.46 15.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.016 0.908 . . . . 45.04 110.464 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -104.35 170.59 7.81 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.839 0.828 . . . . 75.19 109.712 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -133.99 65.71 1.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.575 -1.639 . . . . 40.05 106.575 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.18 -24.83 64.11 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 113.014 0.746 . . . . 43.69 113.014 -170.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.6 m -88.69 -5.56 58.04 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.568 -0.853 . . . . 38.53 112.872 175.758 -70.222 172.174 83.748 105.341 2.04 105.505 52.367 -172.625 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 61.18 47.94 6.7 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.267 1.027 . . . . 61.65 112.246 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.7 pt -145.01 148.76 39.82 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.471 -0.566 . . . . 41.02 109.471 -175.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.15 141.68 48.43 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 N-CA-C 109.341 -1.061 . . . . 36.07 109.341 166.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.0 m -59.14 -28.86 66.96 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.781 -0.645 . . . . 32.43 111.836 -177.396 -62.128 -61.558 95.647 105.091 2.042 103.319 86.173 60.921 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.0 p -61.82 -27.44 68.77 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.302 -0.559 . . . . 35.85 112.423 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.15 -23.51 66.62 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.736 -0.786 . . . . 37.12 112.079 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.63 -4.51 43.41 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 113.344 0.868 . . . . 35.85 113.344 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.62 0.99 34.11 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 118.672 0.669 . . . . 37.48 112.693 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -63.52 153.85 34.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.644 0.735 . . . . 42.59 111.762 -178.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.1 p -68.48 -17.4 64.17 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.998 -0.681 . . . . 45.5 112.075 171.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -88.85 117.52 27.9 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.81 -1.181 . . . . 50.25 107.81 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.1 pt -82.49 4.35 2.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 113.085 0.772 . . . . 36.96 113.085 -172.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.8 m -53.86 -49.32 68.74 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.635 0.652 . . . . 40.74 111.802 -173.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.98 97.67 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.121 -0.632 . . . . 33.2 111.195 -176.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.0 m -61.8 -42.96 99.67 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 120.598 -0.441 . . . . 33.15 110.893 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 50.8 t -66.15 -45.22 90.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.971 0.415 . . . . 36.61 110.467 -177.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.23 -38.81 92.62 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.0 -0.68 . . . . 44.47 111.518 -178.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.71 -40.65 76.15 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.269 -0.572 . . . . 32.46 111.051 177.517 -172.625 52.367 83.748 105.505 2.04 105.341 172.174 -70.222 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.68 73.33 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.553 -0.459 . . . . 30.82 111.865 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -62.91 -35.17 79.18 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.506 -0.878 . . . . 40.24 111.24 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -70.1 -40.73 74.77 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.957 -0.697 . . . . 69.8 111.083 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.87 -48.67 87.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 121.12 0.486 . . . . 34.03 110.663 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.74 -16.27 18.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 O-C-N 121.847 -0.533 . . . . 37.02 111.119 -172.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.2 m -90.09 -0.38 57.57 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.468 0.914 . . . . 43.21 113.468 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -88.12 3.99 47.11 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.404 0.89 . . . . 45.84 113.404 -168.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 123.06 -31.25 4.78 Favored Glycine 0 C--N 1.337 0.597 0 CA-C-N 118.56 0.618 . . . . 43.73 114.329 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -100.66 5.35 43.77 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.739 1.015 . . . . 51.71 113.739 -173.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 60.16 -148.35 43.48 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 119.9 -1.143 . . . . 32.75 110.52 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 61.2 mtp -80.98 -1.11 42.46 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.722 0.638 . . . . 30.24 112.722 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -60.73 -14.11 19.12 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 118.349 0.522 . . . . 34.16 112.144 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.02 63.09 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 112.963 0.727 . . . . 36.05 112.963 172.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 18.0 m-90 -103.44 110.44 22.45 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.944 -1.132 . . . . 31.81 107.944 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.8 p -62.41 -38.04 80.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 120.157 -0.617 . . . . 39.14 110.698 -171.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.56 74.58 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.574 -0.85 . . . . 32.83 111.429 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -63.96 -45.19 90.19 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 119.724 -0.79 . . . . 32.52 110.671 174.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.2 ttp-105 -57.89 -43.87 86.39 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.524 -0.47 . . . . 51.73 111.198 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -91.15 -21.14 21.31 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 113.817 1.043 . . . . 35.39 113.817 -171.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -126.22 -9.41 6.44 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 115.777 1.769 . . . . 35.7 115.777 -173.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 61.5 m -121.1 -44.21 2.41 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.322 0.964 . . . . 31.28 113.234 -178.857 -56.322 -78.471 -93.746 103.386 2.039 103.204 -90.979 -174.729 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -50.6 129.62 22.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.712 0.292 . . . . 35.93 110.796 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.03 9.46 83.91 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 115.631 1.013 . . . . 42.08 115.631 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.2 p -105.8 174.85 5.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.724 1.262 . . . . 36.03 108.959 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -81.12 85.86 6.26 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 108.197 -1.038 . . . . 53.27 108.197 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.3 m -74.05 -21.29 17.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 120.29 -0.564 . . . . 39.2 112.469 -174.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' GLN . . . . . 0.622 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 16.1 tm0? -62.77 -20.87 65.41 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.381 -0.928 . . . . 64.74 111.48 178.577 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.43 -24.01 63.15 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.29 0.478 . . . . 45.24 112.29 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -74.01 -16.64 61.05 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.112 0.782 . . . . 37.67 113.112 -177.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.6 pt -114.04 4.78 7.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-N 118.989 0.813 . . . . 47.1 112.54 175.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ARG . . . . . 0.622 ' NH2' ' OE1' ' A' ' 139' ' ' GLN . 14.2 ttm180 -58.04 133.22 55.35 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 122.79 0.436 . . . . 61.01 110.599 177.072 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.51 -12.49 58.8 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 115.648 1.019 . . . . 45.95 115.648 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.5 m -80.21 144.56 32.84 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.778 1.289 . . . . 45.26 110.856 -177.448 -52.368 -61.207 -67.299 104.59 2.021 103.486 -61.164 -63.762 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -86.6 105.21 16.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 107.965 -1.124 . . . . 69.73 107.965 175.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.235 0.342 0 CA-C-O 121.151 0.5 . . . . 65.0 111.04 -178.51 . . . . . . . . 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 ' 204' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 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 orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.468 0.475 0 N-CA-C 109.984 -0.376 . . . . 50.44 109.984 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.6 t -104.71 112.14 37.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 106.889 -1.523 . . . . 37.22 106.889 173.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -76.14 150.27 37.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.53 0.681 . . . . 40.23 110.721 -177.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.09 159.13 46.94 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.152 -1.023 . . . . 38.91 111.074 159.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -58.07 -56.5 21.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.315 -0.442 . . . . 48.45 111.321 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.9 m -69.97 -30.71 68.13 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.283 -0.967 . . . . 39.41 111.888 -178.574 -63.762 -61.164 -67.299 103.486 2.021 104.59 -61.207 -52.368 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.59 -45.35 92.13 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.934 -0.307 . . . . 42.54 111.355 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.44 -39.46 77.78 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.197 -0.601 . . . . 33.89 111.285 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.67 76.58 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.02 -0.672 . . . . 33.56 110.977 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.71 90.41 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.344 -0.542 . . . . 36.92 111.504 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.83 99.65 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.268 -0.573 . . . . 35.29 111.657 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.9 mtt -69.17 -40.98 77.81 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.825 -0.75 . . . . 35.88 111.362 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -58.06 -42.81 86.29 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.579 -0.449 . . . . 57.71 111.027 177.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -65.76 -28.49 69.07 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.597 -0.274 . . . . 60.13 111.329 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . 0.413 ' HB3' HG11 ' A' ' 110' ' ' VAL . 27.4 m80 -91.19 9.62 30.46 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.965 0.728 . . . . 43.62 112.965 -179.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.23 21.48 48.91 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 116.693 1.437 . . . . 41.83 116.693 169.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.57 -15.36 37.63 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 118.906 1.353 . . . . 39.83 114.499 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 321' ' ' HOH . 46.1 t0 -69.99 120.32 15.53 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 119.388 0.994 . . . . 54.42 109.271 -177.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 t30 60.67 23.1 12.95 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 124.752 1.221 . . . . 54.07 113.258 -174.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -67.63 125.19 25.42 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 120.963 -1.086 . . . . 42.06 109.882 174.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 51.29 31.58 7.19 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.344 0.592 . . . . 77.35 111.58 -172.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.78 3.0 77.77 Favored Glycine 0 C--O 1.239 0.428 0 N-CA-C 116.433 1.333 . . . . 34.78 116.433 174.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -99.91 113.0 25.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.912 1.356 . . . . 32.95 109.91 -176.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.1 p -65.05 159.13 23.88 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.691 0.758 . . . . 36.97 110.967 -178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.9 -38.67 65.06 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.028 -0.987 . . . . 38.34 112.217 -173.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.72 -31.25 63.76 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 119.888 -1.149 . . . . 31.47 113.929 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -63.56 -43.43 97.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.526 0.663 . . . . 31.98 111.104 178.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -68.23 -39.96 82.18 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.497 -0.32 . . . . 34.24 111.402 -177.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.0 t -68.45 -41.8 83.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.103 -0.639 . . . . 31.19 110.421 179.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.09 -43.88 91.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.985 -0.447 . . . . 29.97 111.226 175.946 -174.729 -90.979 -93.746 103.204 2.039 103.386 -78.471 -56.322 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.44 92.14 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.136 -0.626 . . . . 29.86 111.109 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.85 84.59 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.166 -0.614 . . . . 30.6 111.508 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -60.31 -48.98 79.42 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.458 -0.497 . . . . 46.47 111.345 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -85.89 -19.38 30.64 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 119.27 -0.972 . . . . 33.86 113.358 -174.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -77.85 -40.48 40.03 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.34 -0.944 . . . . 33.55 111.75 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.4 p -134.92 -2.17 2.63 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 114.409 1.263 . . . . 31.78 114.409 -168.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t30 52.67 37.1 22.64 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.021 0.828 . . . . 47.79 110.701 -169.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 67.41 23.14 9.22 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.471 1.508 . . . . 35.43 113.218 175.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -105.0 115.12 29.74 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.566 0.746 . . . . 32.34 109.292 -175.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.9 p -65.53 -19.81 66.08 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 119.055 -1.058 . . . . 34.05 112.184 -178.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -93.55 8.32 41.19 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 114.182 1.178 . . . . 35.29 114.182 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.74 135.75 53.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.21 0.913 . . . . 31.69 111.72 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.7 p -133.08 149.88 52.12 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.751 -0.833 . . . . 34.48 108.751 171.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -150.23 131.5 14.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.846 -0.615 . . . . 43.0 109.774 176.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' NE ' ' NH2' ' A' ' 86' ' ' ARG . 13.8 tpp85 -89.0 138.9 30.98 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 123.459 0.475 . . . . 53.77 110.134 -178.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -99.2 164.66 12.05 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 121.618 0.723 . . . . 41.1 110.529 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 p -64.51 -33.6 76.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.8 -0.76 . . . . 53.18 111.817 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -75.07 4.02 7.48 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.118 -1.033 . . . . 48.57 113.134 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.13 -12.77 67.95 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 115.467 0.947 . . . . 37.81 115.467 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.8 p -75.26 170.12 16.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.659 1.23 . . . . 35.42 109.837 174.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.3 m -135.46 145.72 47.46 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.764 -0.828 . . . . 31.34 108.764 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -101.78 141.26 34.91 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.561 0.744 . . . . 39.69 109.82 175.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -130.9 129.08 41.79 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 111.895 0.332 . . . . 30.86 111.895 -167.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.87 -168.96 33.28 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-O 123.297 1.498 . . . . 28.83 113.249 160.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.1 tt -66.23 -27.18 39.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 113.529 -1.335 . . . . 38.88 111.543 -168.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.0 mt -110.97 10.83 22.21 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 113.267 0.839 . . . . 32.28 113.267 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 53.36 54.44 10.16 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 122.294 1.045 . . . . 30.5 111.626 170.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.91 135.4 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.711 -1.131 . . . . 35.3 109.527 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -93.81 139.1 31.26 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 112.46 0.541 . . . . 44.3 112.46 -164.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.5 p -78.05 -15.17 59.15 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.156 0.799 . . . . 33.5 113.156 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -65.27 -26.41 68.08 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.14 -1.424 . . . . 58.73 112.258 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -123.27 -33.41 3.28 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 115.213 1.56 . . . . 56.03 115.213 -175.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -115.07 -20.84 10.3 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 115.362 1.615 . . . . 36.14 115.362 -156.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.2 p -148.02 161.96 40.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 119.383 0.992 . . . . 33.29 109.068 -179.903 60.921 86.173 95.647 103.319 2.042 105.091 -61.558 -62.128 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -100.89 123.05 44.51 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.382 -0.826 . . . . 44.35 110.201 -178.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -120.58 6.92 10.53 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.691 -0.804 . . . . 33.87 112.755 173.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.79 3.54 68.09 Favored Glycine 0 CA--C 1.505 -0.551 0 CA-C-O 119.168 -0.796 . . . . 40.07 115.068 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' NH2' ' NE ' ' A' ' 63' ' ' ARG . 13.4 ptt180 -143.11 25.3 1.75 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 118.622 1.211 . . . . 41.79 113.076 -178.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 m -120.65 84.14 36.45 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 106.518 -1.66 . . . . 42.39 106.518 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -59.48 136.38 71.14 Favored 'Trans proline' 0 N--CA 1.472 0.24 0 CA-C-O 121.389 0.495 . . . . 45.64 112.32 -172.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.13 8.68 87.68 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 115.079 0.791 . . . . 51.21 115.079 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 85.4 p -85.86 166.46 15.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.016 0.908 . . . . 45.04 110.464 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -104.35 170.59 7.81 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.839 0.828 . . . . 75.19 109.712 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -133.99 65.71 1.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.575 -1.639 . . . . 40.05 106.575 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.18 -24.83 64.11 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 113.014 0.746 . . . . 43.69 113.014 -170.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.6 m -88.69 -5.56 58.04 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.568 -0.853 . . . . 38.53 112.872 175.758 -70.222 172.174 83.748 105.341 2.04 105.505 52.367 -172.625 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 61.18 47.94 6.7 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.267 1.027 . . . . 61.65 112.246 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.7 pt -145.01 148.76 39.82 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.471 -0.566 . . . . 41.02 109.471 -175.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.15 141.68 48.43 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 N-CA-C 109.341 -1.061 . . . . 36.07 109.341 166.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.0 m -59.14 -28.86 66.96 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.781 -0.645 . . . . 32.43 111.836 -177.396 -62.128 -61.558 95.647 105.091 2.042 103.319 86.173 60.921 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.0 p -61.82 -27.44 68.77 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.302 -0.559 . . . . 35.85 112.423 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.15 -23.51 66.62 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.736 -0.786 . . . . 37.12 112.079 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.63 -4.51 43.41 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 113.344 0.868 . . . . 35.85 113.344 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.62 0.99 34.11 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 118.672 0.669 . . . . 37.48 112.693 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -63.52 153.85 34.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.644 0.735 . . . . 42.59 111.762 -178.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.1 p -68.48 -17.4 64.17 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.998 -0.681 . . . . 45.5 112.075 171.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -88.85 117.52 27.9 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.81 -1.181 . . . . 50.25 107.81 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.1 pt -82.49 4.35 2.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 113.085 0.772 . . . . 36.96 113.085 -172.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.8 m -53.86 -49.32 68.74 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.635 0.652 . . . . 40.74 111.802 -173.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.98 97.67 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.121 -0.632 . . . . 33.2 111.195 -176.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.0 m -61.8 -42.96 99.67 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 120.598 -0.441 . . . . 33.15 110.893 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . 0.413 HG11 ' HB3' ' A' ' 33' ' ' HIS . 50.8 t -66.15 -45.22 90.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.971 0.415 . . . . 36.61 110.467 -177.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.23 -38.81 92.62 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.0 -0.68 . . . . 44.47 111.518 -178.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.71 -40.65 76.15 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.269 -0.572 . . . . 32.46 111.051 177.517 -172.625 52.367 83.748 105.505 2.04 105.341 172.174 -70.222 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.68 73.33 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.553 -0.459 . . . . 30.82 111.865 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -62.91 -35.17 79.18 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.506 -0.878 . . . . 40.24 111.24 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -70.1 -40.73 74.77 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.957 -0.697 . . . . 69.8 111.083 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.87 -48.67 87.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 121.12 0.486 . . . . 34.03 110.663 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.74 -16.27 18.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 O-C-N 121.847 -0.533 . . . . 37.02 111.119 -172.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.2 m -90.09 -0.38 57.57 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.468 0.914 . . . . 43.21 113.468 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -88.12 3.99 47.11 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.404 0.89 . . . . 45.84 113.404 -168.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 123.06 -31.25 4.78 Favored Glycine 0 C--N 1.337 0.597 0 CA-C-N 118.56 0.618 . . . . 43.73 114.329 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -100.66 5.35 43.77 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.739 1.015 . . . . 51.71 113.739 -173.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 60.16 -148.35 43.48 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 119.9 -1.143 . . . . 32.75 110.52 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 61.2 mtp -80.98 -1.11 42.46 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.722 0.638 . . . . 30.24 112.722 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -60.73 -14.11 19.12 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 118.349 0.522 . . . . 34.16 112.144 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.02 63.09 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 112.963 0.727 . . . . 36.05 112.963 172.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 18.0 m-90 -103.44 110.44 22.45 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.944 -1.132 . . . . 31.81 107.944 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.8 p -62.41 -38.04 80.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 120.157 -0.617 . . . . 39.14 110.698 -171.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.56 74.58 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.574 -0.85 . . . . 32.83 111.429 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -63.96 -45.19 90.19 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 119.724 -0.79 . . . . 32.52 110.671 174.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.2 ttp-105 -57.89 -43.87 86.39 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.524 -0.47 . . . . 51.73 111.198 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -91.15 -21.14 21.31 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 113.817 1.043 . . . . 35.39 113.817 -171.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -126.22 -9.41 6.44 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 115.777 1.769 . . . . 35.7 115.777 -173.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 61.5 m -121.1 -44.21 2.41 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.322 0.964 . . . . 31.28 113.234 -178.857 -56.322 -78.471 -93.746 103.386 2.039 103.204 -90.979 -174.729 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -50.6 129.62 22.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.712 0.292 . . . . 35.93 110.796 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.03 9.46 83.91 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 115.631 1.013 . . . . 42.08 115.631 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.2 p -105.8 174.85 5.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.724 1.262 . . . . 36.03 108.959 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -81.12 85.86 6.26 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 108.197 -1.038 . . . . 53.27 108.197 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.3 m -74.05 -21.29 17.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 120.29 -0.564 . . . . 39.2 112.469 -174.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' GLN . . . . . 0.454 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 16.1 tm0? -62.77 -20.87 65.41 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.381 -0.928 . . . . 64.74 111.48 178.577 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.43 -24.01 63.15 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.29 0.478 . . . . 45.24 112.29 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -74.01 -16.64 61.05 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.112 0.782 . . . . 37.67 113.112 -177.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.6 pt -114.04 4.78 7.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-N 118.989 0.813 . . . . 47.1 112.54 175.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ARG . . . . . 0.454 ' NH2' ' OE1' ' A' ' 139' ' ' GLN . 14.2 ttm180 -58.04 133.22 55.35 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 122.79 0.436 . . . . 61.01 110.599 177.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.51 -12.49 58.8 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 115.648 1.019 . . . . 45.95 115.648 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.5 m -80.21 144.56 32.84 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.778 1.289 . . . . 45.26 110.856 -177.448 -52.368 -61.207 -67.299 104.59 2.021 103.486 -61.164 -63.762 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -86.6 105.21 16.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 107.965 -1.124 . . . . 69.73 107.965 175.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.235 0.342 0 CA-C-O 121.151 0.5 . . . . 65.0 111.04 -178.51 . . . . . . . . 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 ' 204' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.4 ' O ' ' HB3' ' A' ' 36' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.468 0.475 0 N-CA-C 109.984 -0.376 . . . . 50.44 109.984 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.6 t -104.71 112.14 37.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 106.889 -1.523 . . . . 37.22 106.889 173.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -76.14 150.27 37.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.53 0.681 . . . . 40.23 110.721 -177.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.09 159.13 46.94 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.152 -1.023 . . . . 38.91 111.074 159.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -58.07 -56.5 21.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.315 -0.442 . . . . 48.45 111.321 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.9 m -69.97 -30.71 68.13 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.283 -0.967 . . . . 39.41 111.888 -178.574 -63.762 -61.164 -67.299 103.486 2.021 104.59 -61.207 -52.368 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.59 -45.35 92.13 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.934 -0.307 . . . . 42.54 111.355 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.44 -39.46 77.78 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.197 -0.601 . . . . 33.89 111.285 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.67 76.58 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.02 -0.672 . . . . 33.56 110.977 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.71 90.41 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.344 -0.542 . . . . 36.92 111.504 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.83 99.65 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.268 -0.573 . . . . 35.29 111.657 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.9 mtt -69.17 -40.98 77.81 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.825 -0.75 . . . . 35.88 111.362 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -58.06 -42.81 86.29 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.579 -0.449 . . . . 57.71 111.027 177.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -65.76 -28.49 69.07 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.597 -0.274 . . . . 60.13 111.329 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.413 ' HB3' HG11 ' A' ' 110' ' ' VAL . 27.4 m80 -91.19 9.62 30.46 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.965 0.728 . . . . 43.62 112.965 -179.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.23 21.48 48.91 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 116.693 1.437 . . . . 41.83 116.693 169.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.57 -15.36 37.63 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 118.906 1.353 . . . . 39.83 114.499 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 321' ' ' HOH . 46.1 t0 -69.99 120.32 15.53 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 119.388 0.994 . . . . 54.42 109.271 -177.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 t30 60.67 23.1 12.95 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 124.752 1.221 . . . . 54.07 113.258 -174.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -67.63 125.19 25.42 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 120.963 -1.086 . . . . 42.06 109.882 174.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 51.29 31.58 7.19 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.344 0.592 . . . . 77.35 111.58 -172.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.78 3.0 77.77 Favored Glycine 0 C--O 1.239 0.428 0 N-CA-C 116.433 1.333 . . . . 34.78 116.433 174.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -99.91 113.0 25.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.912 1.356 . . . . 32.95 109.91 -176.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.1 p -65.05 159.13 23.88 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.691 0.758 . . . . 36.97 110.967 -178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.9 -38.67 65.06 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.028 -0.987 . . . . 38.34 112.217 -173.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.72 -31.25 63.76 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 119.888 -1.149 . . . . 31.47 113.929 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -63.56 -43.43 97.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.526 0.663 . . . . 31.98 111.104 178.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -68.23 -39.96 82.18 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.497 -0.32 . . . . 34.24 111.402 -177.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.0 t -68.45 -41.8 83.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.103 -0.639 . . . . 31.19 110.421 179.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.09 -43.88 91.86 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.985 -0.447 . . . . 29.97 111.226 175.946 -174.729 -90.979 -93.746 103.204 2.039 103.386 -78.471 -56.322 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.44 92.14 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.136 -0.626 . . . . 29.86 111.109 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.85 84.59 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.166 -0.614 . . . . 30.6 111.508 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -60.31 -48.98 79.42 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.458 -0.497 . . . . 46.47 111.345 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -85.89 -19.38 30.64 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 119.27 -0.972 . . . . 33.86 113.358 -174.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -77.85 -40.48 40.03 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.34 -0.944 . . . . 33.55 111.75 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.4 p -134.92 -2.17 2.63 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 114.409 1.263 . . . . 31.78 114.409 -168.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t30 52.67 37.1 22.64 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.021 0.828 . . . . 47.79 110.701 -169.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 67.41 23.14 9.22 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.471 1.508 . . . . 35.43 113.218 175.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -105.0 115.12 29.74 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.566 0.746 . . . . 32.34 109.292 -175.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.9 p -65.53 -19.81 66.08 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 119.055 -1.058 . . . . 34.05 112.184 -178.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -93.55 8.32 41.19 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 114.182 1.178 . . . . 35.29 114.182 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.74 135.75 53.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.21 0.913 . . . . 31.69 111.72 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.7 p -133.08 149.88 52.12 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.751 -0.833 . . . . 34.48 108.751 171.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -150.23 131.5 14.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.846 -0.615 . . . . 43.0 109.774 176.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' NE ' ' NH2' ' A' ' 86' ' ' ARG . 13.8 tpp85 -89.0 138.9 30.98 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 123.459 0.475 . . . . 53.77 110.134 -178.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -99.2 164.66 12.05 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 121.618 0.723 . . . . 41.1 110.529 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 p -64.51 -33.6 76.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.8 -0.76 . . . . 53.18 111.817 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -75.07 4.02 7.48 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.118 -1.033 . . . . 48.57 113.134 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.13 -12.77 67.95 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 115.467 0.947 . . . . 37.81 115.467 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.8 p -75.26 170.12 16.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.659 1.23 . . . . 35.42 109.837 174.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.3 m -135.46 145.72 47.46 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.764 -0.828 . . . . 31.34 108.764 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -101.78 141.26 34.91 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.561 0.744 . . . . 39.69 109.82 175.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -130.9 129.08 41.79 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 111.895 0.332 . . . . 30.86 111.895 -167.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.87 -168.96 33.28 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-O 123.297 1.498 . . . . 28.83 113.249 160.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.1 tt -66.23 -27.18 39.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 113.529 -1.335 . . . . 38.88 111.543 -168.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.0 mt -110.97 10.83 22.21 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 113.267 0.839 . . . . 32.28 113.267 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 53.36 54.44 10.16 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 122.294 1.045 . . . . 30.5 111.626 170.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.91 135.4 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.711 -1.131 . . . . 35.3 109.527 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -93.81 139.1 31.26 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 112.46 0.541 . . . . 44.3 112.46 -164.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.5 p -78.05 -15.17 59.15 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.156 0.799 . . . . 33.5 113.156 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -65.27 -26.41 68.08 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.14 -1.424 . . . . 58.73 112.258 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -123.27 -33.41 3.28 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 115.213 1.56 . . . . 56.03 115.213 -175.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -115.07 -20.84 10.3 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 115.362 1.615 . . . . 36.14 115.362 -156.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.2 p -148.02 161.96 40.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 119.383 0.992 . . . . 33.29 109.068 -179.903 60.921 86.173 95.647 103.319 2.042 105.091 -61.558 -62.128 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -100.89 123.05 44.51 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.382 -0.826 . . . . 44.35 110.201 -178.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -120.58 6.92 10.53 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.691 -0.804 . . . . 33.87 112.755 173.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.79 3.54 68.09 Favored Glycine 0 CA--C 1.505 -0.551 0 CA-C-O 119.168 -0.796 . . . . 40.07 115.068 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' NH2' ' NE ' ' A' ' 63' ' ' ARG . 13.4 ptt180 -143.11 25.3 1.75 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 118.622 1.211 . . . . 41.79 113.076 -178.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 m -120.65 84.14 36.45 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 106.518 -1.66 . . . . 42.39 106.518 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -59.48 136.38 71.14 Favored 'Trans proline' 0 N--CA 1.472 0.24 0 CA-C-O 121.389 0.495 . . . . 45.64 112.32 -172.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.13 8.68 87.68 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 115.079 0.791 . . . . 51.21 115.079 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 85.4 p -85.86 166.46 15.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.016 0.908 . . . . 45.04 110.464 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -104.35 170.59 7.81 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.839 0.828 . . . . 75.19 109.712 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -133.99 65.71 1.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.575 -1.639 . . . . 40.05 106.575 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.18 -24.83 64.11 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 113.014 0.746 . . . . 43.69 113.014 -170.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.6 m -88.69 -5.56 58.04 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.568 -0.853 . . . . 38.53 112.872 175.758 -70.222 172.174 83.748 105.341 2.04 105.505 52.367 -172.625 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 61.18 47.94 6.7 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.267 1.027 . . . . 61.65 112.246 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.7 pt -145.01 148.76 39.82 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.471 -0.566 . . . . 41.02 109.471 -175.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.15 141.68 48.43 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 N-CA-C 109.341 -1.061 . . . . 36.07 109.341 166.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.0 m -59.14 -28.86 66.96 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.781 -0.645 . . . . 32.43 111.836 -177.396 -62.128 -61.558 95.647 105.091 2.042 103.319 86.173 60.921 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.0 p -61.82 -27.44 68.77 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.302 -0.559 . . . . 35.85 112.423 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.15 -23.51 66.62 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.736 -0.786 . . . . 37.12 112.079 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.63 -4.51 43.41 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 113.344 0.868 . . . . 35.85 113.344 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.62 0.99 34.11 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 118.672 0.669 . . . . 37.48 112.693 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -63.52 153.85 34.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.644 0.735 . . . . 42.59 111.762 -178.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.1 p -68.48 -17.4 64.17 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.998 -0.681 . . . . 45.5 112.075 171.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -88.85 117.52 27.9 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.81 -1.181 . . . . 50.25 107.81 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.1 pt -82.49 4.35 2.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 113.085 0.772 . . . . 36.96 113.085 -172.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.8 m -53.86 -49.32 68.74 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.635 0.652 . . . . 40.74 111.802 -173.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.98 97.67 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.121 -0.632 . . . . 33.2 111.195 -176.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.0 m -61.8 -42.96 99.67 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 120.598 -0.441 . . . . 33.15 110.893 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.413 HG11 ' HB3' ' A' ' 33' ' ' HIS . 50.8 t -66.15 -45.22 90.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.971 0.415 . . . . 36.61 110.467 -177.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.23 -38.81 92.62 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.0 -0.68 . . . . 44.47 111.518 -178.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.71 -40.65 76.15 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.269 -0.572 . . . . 32.46 111.051 177.517 -172.625 52.367 83.748 105.505 2.04 105.341 172.174 -70.222 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.68 73.33 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.553 -0.459 . . . . 30.82 111.865 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -62.91 -35.17 79.18 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.506 -0.878 . . . . 40.24 111.24 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -70.1 -40.73 74.77 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.957 -0.697 . . . . 69.8 111.083 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.87 -48.67 87.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 121.12 0.486 . . . . 34.03 110.663 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.74 -16.27 18.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 O-C-N 121.847 -0.533 . . . . 37.02 111.119 -172.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.2 m -90.09 -0.38 57.57 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.468 0.914 . . . . 43.21 113.468 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -88.12 3.99 47.11 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.404 0.89 . . . . 45.84 113.404 -168.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 123.06 -31.25 4.78 Favored Glycine 0 C--N 1.337 0.597 0 CA-C-N 118.56 0.618 . . . . 43.73 114.329 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -100.66 5.35 43.77 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.739 1.015 . . . . 51.71 113.739 -173.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 60.16 -148.35 43.48 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 119.9 -1.143 . . . . 32.75 110.52 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 61.2 mtp -80.98 -1.11 42.46 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.722 0.638 . . . . 30.24 112.722 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -60.73 -14.11 19.12 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 118.349 0.522 . . . . 34.16 112.144 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.02 63.09 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 112.963 0.727 . . . . 36.05 112.963 172.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 18.0 m-90 -103.44 110.44 22.45 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.944 -1.132 . . . . 31.81 107.944 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.8 p -62.41 -38.04 80.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 120.157 -0.617 . . . . 39.14 110.698 -171.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.56 74.58 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.574 -0.85 . . . . 32.83 111.429 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -63.96 -45.19 90.19 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 119.724 -0.79 . . . . 32.52 110.671 174.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.2 ttp-105 -57.89 -43.87 86.39 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.524 -0.47 . . . . 51.73 111.198 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -91.15 -21.14 21.31 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 113.817 1.043 . . . . 35.39 113.817 -171.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -126.22 -9.41 6.44 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 115.777 1.769 . . . . 35.7 115.777 -173.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 61.5 m -121.1 -44.21 2.41 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.322 0.964 . . . . 31.28 113.234 -178.857 -56.322 -78.471 -93.746 103.386 2.039 103.204 -90.979 -174.729 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -50.6 129.62 22.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.712 0.292 . . . . 35.93 110.796 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.03 9.46 83.91 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 115.631 1.013 . . . . 42.08 115.631 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.2 p -105.8 174.85 5.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.724 1.262 . . . . 36.03 108.959 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -81.12 85.86 6.26 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 108.197 -1.038 . . . . 53.27 108.197 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.3 m -74.05 -21.29 17.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 120.29 -0.564 . . . . 39.2 112.469 -174.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.454 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 16.1 tm0? -62.77 -20.87 65.41 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.381 -0.928 . . . . 64.74 111.48 178.577 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.43 -24.01 63.15 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.29 0.478 . . . . 45.24 112.29 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -74.01 -16.64 61.05 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.112 0.782 . . . . 37.67 113.112 -177.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.6 pt -114.04 4.78 7.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-N 118.989 0.813 . . . . 47.1 112.54 175.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.454 ' NH2' ' OE1' ' A' ' 139' ' ' GLN . 14.2 ttm180 -58.04 133.22 55.35 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 122.79 0.436 . . . . 61.01 110.599 177.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.51 -12.49 58.8 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 115.648 1.019 . . . . 45.95 115.648 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' CYS . . . . . . . . . . . . . 39.5 m -80.21 144.56 32.84 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.778 1.289 . . . . 45.26 110.856 -177.448 -52.368 -61.207 -67.299 104.59 2.021 103.486 -61.164 -63.762 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -86.6 105.21 16.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 107.965 -1.124 . . . . 69.73 107.965 175.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.235 0.342 0 CA-C-O 121.151 0.5 . . . . 65.0 111.04 -178.51 . . . . . . . . 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 ' 204' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.4 ' O ' ' HB3' ' A' ' 36' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_