data_4hr1_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4hr1 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.806 0 CA-C-O 119.307 -0.378 . . . . 68.94 111.85 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -93.64 93.44 8.04 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.007 -1.479 . . . . 82.17 107.007 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.68 -56.66 6.39 Favored Glycine 0 C--O 1.241 0.577 0 N-CA-C 116.785 1.474 . . . . 55.59 116.785 -176.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.4 -52.63 62.83 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 124.214 1.006 . . . . 51.48 112.471 -177.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.23 -45.85 75.99 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.328 0.492 . . . . 77.08 112.328 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 m -55.08 -55.23 33.32 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.118 0.967 . . . . 49.48 112.044 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.269 6.1 m -63.59 -40.94 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 112.59 0.589 . . . . 44.96 112.59 179.925 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 mm -60.14 -48.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 C-N-CA 124.224 1.01 . . . . 41.24 110.793 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -59.43 -40.77 87.81 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 112.611 0.597 . . . . 83.5 112.611 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -68.58 -42.95 77.55 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 122.701 0.4 . . . . 74.81 111.396 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.3 -48.04 82.31 Favored 'Isoleucine or valine' 0 C--N 1.361 1.095 0 N-CA-C 108.331 -0.989 . . . . 38.54 108.331 178.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -54.63 -48.84 71.77 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 118.163 -0.923 . . . . 52.89 111.845 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -55.97 -50.74 69.98 Favored 'General case' 0 C--N 1.366 1.309 0 CA-C-N 118.427 0.558 . . . . 39.4 109.62 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.94 -38.32 88.04 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.164 0.802 . . . . 46.51 113.164 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -67.81 -46.54 71.59 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-N 117.842 0.292 . . . . 69.85 110.92 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.7 m -60.91 -36.78 80.17 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.046 1.338 . . . . 47.22 110.18 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.91 -35.97 81.2 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.347 1.059 . . . . 44.85 111.167 177.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.1 mt -71.7 -43.22 70.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.079 -0.711 . . . . 51.14 109.079 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.07 81.08 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.848 0.859 . . . . 47.76 109.159 176.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -58.24 -51.58 69.17 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.321 1.448 . . . . 52.8 111.376 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -45.71 90.75 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 124.847 1.259 . . . . 58.06 112.464 179.283 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -50.31 69.44 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 126.473 1.909 . . . . 102.78 109.357 178.532 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.42 -43.23 99.34 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 125.449 1.499 . . . . 67.11 114.213 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.08 -41.92 97.54 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 109.316 -0.624 . . . . 72.73 109.316 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MSE . . . . . . . . . . . . . 46.8 mtt -67.93 -39.07 83.56 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.876 1.67 . . . . 92.08 113.871 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -48.72 74.36 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.06 0.944 . . . . 122.98 109.638 176.713 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -66.73 -23.85 66.16 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.889 1.676 . . . . 86.18 113.119 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.257 0.2 OUTLIER -116.45 -6.51 11.72 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.965 1.469 . . . . 90.77 114.965 -177.806 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.38 69.29 1.36 Allowed Glycine 0 C--N 1.335 0.504 0 C-N-CA 123.717 0.675 . . . . 94.07 114.695 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.44 156.56 38.92 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.105 0.962 . . . . 92.82 113.128 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 p -62.19 154.82 26.24 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.314 1.446 . . . . 95.68 111.68 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -55.82 -36.78 67.85 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 124.458 1.103 . . . . 119.82 112.257 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -65.7 -44.23 86.76 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 125.317 1.447 . . . . 137.62 109.239 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -59.69 -44.15 93.77 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.412 1.085 . . . . 112.43 112.868 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.37 -28.21 64.94 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.487 0.715 . . . . 80.58 112.024 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.03 -52.78 25.09 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.9 1.28 . . . . 113.81 108.082 177.406 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -52.66 -42.51 64.77 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 126.307 1.843 . . . . 99.87 112.073 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.68 -44.57 89.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 C-N-CA 124.697 1.199 . . . . 58.8 109.337 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.42 -44.68 92.83 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.081 1.352 . . . . 111.02 109.649 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -58.23 -43.11 87.59 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.119 1.368 . . . . 56.09 110.277 176.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.54 -44.48 90.66 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 113.268 0.84 . . . . 54.35 113.268 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -56.8 -44.88 82.39 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 123.535 0.522 . . . . 109.41 110.548 177.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -61.19 -42.01 97.82 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 118.598 -0.715 . . . . 84.91 112.527 177.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.99 -36.9 75.67 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 123.561 0.744 . . . . 104.22 110.373 175.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.96 -48.55 74.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 CA-C-O 119.267 -0.397 . . . . 45.84 110.676 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -59.28 -37.99 79.03 Favored 'General case' 0 C--N 1.368 1.375 0 O-C-N 123.658 0.599 . . . . 67.83 111.751 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.01 -55.38 33.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.254 0.622 . . . . 77.87 111.904 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . 0.256 8.0 tp -64.25 -37.4 79.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 119.376 -0.345 . . . . 61.62 111.761 -179.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.91 74.63 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.731 -0.652 . . . . 53.95 112.659 178.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 p -66.84 -34.71 78.41 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 113.343 0.868 . . . . 64.0 113.343 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.92 -17.6 17.8 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 113.461 0.911 . . . . 54.72 113.461 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . 0.271 30.1 m -114.38 -6.38 11.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 117.883 2.549 . . . . 56.85 117.883 -178.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -48.13 -34.85 10.49 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.212 1.805 . . . . 72.19 112.173 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -55.39 -41.14 72.26 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 118.495 -0.764 . . . . 46.92 110.136 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.49 -29.01 64.32 Favored 'General case' 0 C--N 1.377 1.765 0 N-CA-C 115.275 1.584 . . . . 56.57 115.275 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.8 t -60.59 -47.83 91.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 107.983 -1.117 . . . . 38.04 107.983 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -75.86 -51.28 12.88 Favored 'General case' 0 C--N 1.371 1.503 0 CA-C-N 118.78 0.718 . . . . 45.55 112.191 174.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.16 -48.34 17.46 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 113.503 0.927 . . . . 48.8 113.503 -177.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -57.91 -46.9 84.26 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.661 0.6 . . . . 61.53 112.589 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -59.79 -49.0 79.44 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.773 0.829 . . . . 69.23 110.547 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.89 -42.86 72.65 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 127.281 2.233 . . . . 75.67 114.877 -177.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . 0.381 0.0 OUTLIER -91.56 54.25 2.46 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 115.491 1.663 . . . . 90.13 115.491 179.653 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.17 32.97 68.31 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.915 1.721 . . . . 102.74 116.36 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.97 7.58 1.57 Allowed 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 126.107 1.763 . . . . 123.12 113.844 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -77.37 145.09 37.47 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 124.133 0.973 . . . . 117.65 109.027 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -96.05 62.01 2.16 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 121.291 0.567 . . . . 131.22 110.21 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mp -108.39 82.92 1.69 Allowed 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.594 1.158 . . . . 102.14 110.036 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 mp -95.4 158.69 15.35 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 125.526 1.53 . . . . 92.94 112.072 -179.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.2 p -81.91 158.87 23.79 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.809 -1.182 . . . . 82.97 107.809 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.66 -50.62 42.63 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.168 1.787 . . . . 88.66 109.47 178.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.21 -44.13 97.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.838 1.655 . . . . 87.13 111.936 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -61.32 -56.72 17.26 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 125.058 1.343 . . . . 76.46 109.506 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -44.85 -50.45 10.31 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.606 1.962 . . . . 71.68 112.374 174.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -62.81 -40.8 98.5 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.48 1.112 . . . . 92.95 113.502 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.16 -38.94 82.65 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.581 1.152 . . . . 85.39 108.655 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.5 mm -63.59 -47.11 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 N-CA-C 108.891 -0.781 . . . . 60.19 108.891 175.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -60.82 -38.06 84.14 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 124.432 1.093 . . . . 62.68 112.473 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -72.61 -31.74 65.4 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 117.789 0.268 . . . . 102.29 110.515 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.22 -44.65 64.96 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 108.804 -0.813 . . . . 44.69 108.804 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.2 mt -52.62 -35.65 54.91 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 124.773 1.229 . . . . 46.12 112.176 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -45.78 65.91 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.597 1.559 . . . . 53.76 112.807 179.196 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.07 -40.12 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.399 -0.963 . . . . 45.82 108.399 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.61 -39.81 92.57 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.327 1.451 . . . . 43.38 110.902 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -70.02 -33.19 71.69 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-O 118.575 -0.726 . . . . 61.62 111.185 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -68.17 -36.22 79.27 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.582 -0.525 . . . . 72.43 109.582 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.1 mt -63.04 -44.81 99.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 N-CA-C 109.242 -0.651 . . . . 44.51 109.242 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -54.6 -47.03 73.87 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.369 0.668 . . . . 44.66 110.257 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.34 -48.79 78.09 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 125.247 1.419 . . . . 83.54 110.283 178.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -67.4 -28.49 67.96 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.04 0.536 . . . . 92.69 112.379 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.3 mm -66.48 -52.66 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.718 0.807 . . . . 55.21 109.564 176.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.64 -44.18 96.38 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 C-N-CA 125.659 1.583 . . . . 47.99 109.211 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.9 t -58.89 -42.67 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.812 0.845 . . . . 48.65 110.297 176.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -64.97 -48.11 75.19 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.916 0.887 . . . . 76.58 110.999 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 44.1 mtt -50.56 -55.45 16.16 Favored 'General case' 0 C--N 1.359 1.004 0 N-CA-C 107.948 -1.13 . . . . 53.82 107.948 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.42 -37.59 75.68 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.157 1.54 . . . . 60.66 115.157 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -69.73 -31.46 69.47 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.65 1.58 . . . . 110.44 112.478 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . 0.365 16.2 m -89.19 1.98 6.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 116.348 1.981 . . . . 70.64 116.348 -176.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.77 -1.16 58.05 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 114.829 0.692 . . . . 71.09 114.829 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 140.08 53.5 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 106.811 -1.552 . . . . 76.69 106.811 177.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 60.27 52.65 4.78 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.4 1.48 . . . . 83.02 112.506 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -67.87 -64.93 0.76 Allowed 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.733 1.213 . . . . 133.85 110.936 -178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -100.15 61.51 0.68 Allowed Glycine 0 C--N 1.334 0.453 0 N-CA-C 108.634 -1.786 . . . . 85.35 108.634 177.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -146.91 143.27 28.39 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 125.929 1.692 . . . . 95.33 107.852 -177.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 3.9 ttm -69.99 88.56 0.58 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.542 1.537 . . . . 86.17 107.203 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.99 -127.72 36.14 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 110.815 -0.914 . . . . 66.77 110.815 -175.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.3 p -120.79 22.57 11.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 117.488 0.644 . . . . 61.46 109.747 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.74 -45.39 63.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.613 2.079 . . . . 60.84 116.613 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -72.88 -41.81 64.3 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 123.328 0.393 . . . . 99.98 111.12 -178.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.71 -49.07 86.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 125.437 1.495 . . . . 48.68 107.386 179.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 t -58.06 -45.74 86.57 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.397 1.479 . . . . 55.71 111.727 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -64.46 -42.08 96.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.555 0.742 . . . . 65.66 110.624 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' TYR . . . . . 0.404 ' OH ' ' O ' ' B' ' 57' ' ' VAL . 44.2 t80 -60.79 -47.13 87.72 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.913 0.885 . . . . 56.98 109.872 175.479 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.0 -43.04 99.46 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.606 0.595 . . . . 44.2 112.606 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.48 -37.23 82.86 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.526 1.131 . . . . 61.35 110.299 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.3 p -62.94 -39.89 96.0 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.295 1.438 . . . . 53.94 112.664 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -27.3 68.88 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.364 1.866 . . . . 62.75 113.771 179.226 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.78 -28.79 24.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.905 2.482 . . . . 94.75 116.638 -177.393 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.8 p . . . . . 0 C--N 1.343 0.315 0 C-N-CA 122.803 0.441 . . . . 109.18 110.757 -178.607 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.566 1.588 0 CA-C-O 121.586 0.707 . . . . 74.79 112.083 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -111.09 176.35 5.06 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.966 1.839 . . . . 72.34 115.966 -175.39 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -125.35 18.66 8.23 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 114.823 1.416 . . . . 86.51 114.823 -178.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.38 -144.23 17.12 Favored Glycine 0 C--O 1.237 0.317 0 N-CA-C 114.909 0.724 . . . . 52.45 114.909 178.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.22 -40.01 57.84 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.807 2.043 . . . . 47.92 114.873 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -45.93 89.58 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 118.232 -0.89 . . . . 102.19 111.269 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.7 m -58.74 -49.94 75.76 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 124.746 1.219 . . . . 54.15 111.407 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . 0.296 1.3 m -61.2 -46.62 96.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 C-N-CA 125.347 1.459 . . . . 48.15 113.183 179.006 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mm -64.0 -47.03 92.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 C-N-CA 124.065 0.946 . . . . 45.96 109.182 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -61.63 -31.73 71.84 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.79 0.663 . . . . 99.71 112.79 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -76.27 -47.36 24.06 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.591 -0.719 . . . . 53.34 112.178 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -62.76 -44.13 99.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 C-N-CA 124.854 1.262 . . . . 45.61 109.877 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 65.3 m -60.48 -42.43 96.25 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.435 1.094 . . . . 58.13 113.209 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -62.9 -45.48 92.32 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.053 0.388 . . . . 40.78 110.049 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.28 -47.79 84.52 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.683 1.193 . . . . 45.87 109.843 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -62.66 -35.11 78.58 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.981 1.313 . . . . 63.34 113.76 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 87.9 m -74.5 -40.09 62.02 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.079 1.752 . . . . 41.59 109.415 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.84 92.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 122.963 0.505 . . . . 38.49 109.907 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 mt -64.85 -42.49 95.0 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 C-N-CA 123.665 0.786 . . . . 44.42 109.46 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.84 95.46 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 125.441 1.496 . . . . 43.87 108.731 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -66.12 -37.6 86.13 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.933 0.893 . . . . 45.86 109.698 176.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.3 mt -72.1 -45.95 58.63 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-N 118.649 0.659 . . . . 48.64 110.954 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -61.79 -35.02 76.97 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.89 0.876 . . . . 66.3 110.584 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.26 -45.03 94.64 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 124.927 1.251 . . . . 58.6 112.647 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.55 -45.4 79.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.515 1.526 . . . . 68.07 111.335 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 48.0 mtt -59.99 -35.92 76.06 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.041 1.337 . . . . 69.03 112.639 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.46 -46.07 91.58 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.236 1.014 . . . . 111.37 110.651 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -67.74 -58.63 4.29 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 124.328 1.051 . . . . 80.82 110.696 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 33.3 p -69.08 -19.79 64.07 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 115.487 1.662 . . . . 69.62 115.487 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.76 133.95 2.44 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.857 -1.297 . . . . 59.79 109.857 -174.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.17 158.57 42.51 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.596 0.591 . . . . 62.99 112.596 179.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 34.9 p -86.33 176.15 8.06 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.074 -1.084 . . . . 65.17 108.074 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -69.85 -36.3 75.43 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 107.373 -1.343 . . . . 117.1 107.373 175.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -66.52 -43.87 84.02 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 124.831 1.252 . . . . 84.26 111.507 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -60.25 -39.77 87.96 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.869 0.867 . . . . 97.2 109.926 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.0 -37.68 66.9 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.855 0.862 . . . . 68.13 112.438 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -60.64 -34.6 74.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.738 1.615 . . . . 104.01 114.486 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -73.55 -26.14 60.71 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 118.365 0.529 . . . . 87.08 111.869 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -74.56 -39.17 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 106.58 -1.637 . . . . 55.14 106.58 175.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -67.05 -26.27 66.67 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.575 0.954 . . . . 70.41 113.575 177.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -72.93 -37.02 67.32 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.691 -1.226 . . . . 97.52 107.691 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.6 -49.69 67.84 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.508 1.523 . . . . 49.31 111.511 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.97 -43.84 82.03 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 125.74 1.616 . . . . 74.76 109.627 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.16 -32.02 73.49 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.579 0.955 . . . . 115.56 113.579 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -66.61 -50.24 63.66 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.644 1.178 . . . . 124.95 108.12 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.58 -43.12 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.686 0.794 . . . . 50.24 111.235 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -67.93 -28.79 67.78 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.21 0.819 . . . . 71.8 113.21 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -68.26 -55.95 10.38 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.781 0.833 . . . . 101.38 110.491 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 8.4 tp -65.62 -35.96 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 C-N-CA 125.162 1.385 . . . . 64.04 112.638 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 -51.55 69.4 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.848 1.259 . . . . 63.85 111.237 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 70.6 p -64.72 -25.31 67.88 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.353 0.872 . . . . 72.82 113.353 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.86 -14.33 56.4 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.48 0.312 . . . . 63.55 111.326 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.2 -0.49 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.696 0 N-CA-C 114.493 1.294 . . . . 59.74 114.493 -177.547 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -64.05 -36.3 83.55 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.075 1.509 . . . . 69.97 115.075 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -49.12 -35.09 15.53 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.863 1.665 . . . . 53.11 111.824 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.77 -24.88 67.04 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 126.802 2.041 . . . . 52.51 114.115 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' VAL . . . . . 0.404 ' O ' ' OH ' ' A' ' 113' ' ' TYR . 90.3 t -63.86 -54.57 30.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.454 -1.313 . . . . 49.17 107.454 177.498 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -72.15 -39.36 68.81 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.441 -0.79 . . . . 63.71 112.321 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.02 78.52 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 113.135 0.791 . . . . 43.18 113.135 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -57.25 -34.51 68.69 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.024 0.829 . . . . 51.3 111.386 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -70.3 -50.14 42.37 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.896 1.278 . . . . 53.13 110.529 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.33 -10.12 0.83 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.205 1.802 . . . . 59.57 113.247 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . 0.279 0.0 OUTLIER -131.27 54.24 1.93 Allowed 'General case' 0 C--N 1.364 1.218 0 N-CA-C 114.966 1.469 . . . . 70.83 114.966 178.712 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.51 30.32 55.52 Favored Glycine 0 C--O 1.241 0.581 0 N-CA-C 118.613 2.205 . . . . 59.11 118.613 176.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 43.6 t0 55.91 51.6 11.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.283 1.515 . . . . 72.42 110.342 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -126.81 133.43 50.79 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.231 -1.766 . . . . 67.2 106.231 177.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -82.35 91.27 6.78 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 104.652 -2.351 . . . . 68.23 104.652 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 105.2 8.15 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 104.751 -2.315 . . . . 54.95 104.751 -178.185 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.43 145.99 46.67 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 113.622 0.971 . . . . 51.4 113.622 -173.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 14.9 p -76.52 172.51 12.87 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.581 1.152 . . . . 54.85 109.112 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.16 -52.25 66.33 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.073 0.949 . . . . 55.73 111.696 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -56.95 -51.46 69.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.067 0.947 . . . . 92.71 109.836 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -54.37 -49.01 70.81 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 124.427 1.091 . . . . 55.13 113.218 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -64.51 -42.59 95.71 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.093 0.775 . . . . 78.29 113.093 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -63.2 -47.6 81.88 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.3 1.04 . . . . 86.02 110.218 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -38.94 70.33 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.293 1.837 . . . . 99.32 112.677 177.841 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -36.02 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 125.55 1.54 . . . . 67.53 112.07 179.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.59 -38.41 91.01 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.622 1.569 . . . . 92.73 109.1 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -65.3 -60.12 3.32 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.501 2.321 . . . . 84.51 107.302 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.64 -41.09 54.86 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 124.437 1.095 . . . . 47.12 113.931 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.88 -32.44 73.96 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.015 0.746 . . . . 50.71 113.015 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 34.2 mt -73.56 -41.63 62.69 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 119.519 -0.277 . . . . 43.13 111.201 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.2 -46.7 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 123.141 0.576 . . . . 47.38 109.709 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.02 -36.45 77.28 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 124.297 1.039 . . . . 51.62 112.801 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -75.32 -25.19 57.65 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 123.692 0.62 . . . . 88.57 111.253 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.05 -54.06 12.5 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.901 1.281 . . . . 52.02 108.064 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mt -51.51 -41.05 26.23 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 C-N-CA 125.951 1.7 . . . . 41.44 110.212 173.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -58.59 -49.06 78.84 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 118.561 -0.733 . . . . 57.77 111.565 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -66.9 -32.77 74.25 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.726 0.694 . . . . 70.66 111.971 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -61.43 -39.7 91.75 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-O 119.176 -0.44 . . . . 62.37 111.522 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 14.9 mt -66.59 -42.05 89.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 127.101 2.161 . . . . 51.99 110.022 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 29.8 mm -60.77 -46.7 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 107.829 -1.175 . . . . 48.54 107.829 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.67 -49.58 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 125.492 1.517 . . . . 46.47 107.199 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -54.45 -40.96 68.9 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.841 1.257 . . . . 70.41 112.772 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' MET . . . . . . . . . . . . . 8.4 mtp -59.67 -41.52 90.8 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.268 1.027 . . . . 52.12 111.496 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 42.0 mt -72.59 -44.77 61.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.768 0.827 . . . . 47.29 111.506 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -47.61 75.53 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 124.816 1.246 . . . . 74.67 112.415 179.965 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . 0.307 10.6 m -79.23 -4.21 6.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 N-CA-C 113.492 0.923 . . . . 47.05 113.492 179.686 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.92 13.95 76.4 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 117.471 1.749 . . . . 52.8 117.471 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -30.09 70.18 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.486 1.114 . . . . 61.2 111.724 178.098 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.59 157.22 46.57 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.17 1.388 . . . . 69.78 110.806 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -134.01 104.14 6.11 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 103.997 -2.594 . . . . 114.5 103.997 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.05 178.53 45.95 Favored Glycine 0 C--O 1.236 0.267 0 N-CA-C 115.047 0.779 . . . . 80.93 115.047 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -69.5 -24.95 63.83 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.685 1.194 . . . . 119.08 113.839 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 15.5 mtp -67.36 -38.35 84.67 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.046 0.385 . . . . 87.61 111.538 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.65 -38.63 61.25 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 124.381 0.991 . . . . 70.47 114.369 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 49.8 p -70.8 -32.34 69.39 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 123.956 0.902 . . . . 67.93 111.342 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -50.74 54.03 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.37 1.068 . . . . 71.4 109.548 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -58.97 -34.69 72.09 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.374 1.07 . . . . 107.45 112.863 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 78.8 mt -73.64 -44.57 52.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.607 -0.516 . . . . 54.09 109.607 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 8.5 m -63.12 -39.61 95.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.965 0.906 . . . . 68.11 111.24 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.64 -40.31 94.41 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.863 1.265 . . . . 67.91 110.14 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -68.16 -36.78 80.18 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.515 1.526 . . . . 50.72 109.49 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.49 -36.01 60.69 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 117.742 0.246 . . . . 56.36 111.096 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.94 -44.78 96.04 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.812 1.245 . . . . 70.9 108.177 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 7.6 p -60.65 -31.23 70.46 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 126.764 2.026 . . . . 66.71 112.586 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mp -79.57 -28.83 41.14 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 123.748 0.819 . . . . 63.66 111.594 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.37 -32.85 16.29 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 126.366 1.866 . . . . 91.82 115.712 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--N 1.35 0.614 0 C-N-CA 122.963 0.505 . . . . 110.98 111.576 -178.256 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.806 0 CA-C-O 119.307 -0.378 . . . . 68.94 111.85 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -93.64 93.44 8.04 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.007 -1.479 . . . . 82.17 107.007 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.68 -56.66 6.39 Favored Glycine 0 C--O 1.241 0.577 0 N-CA-C 116.785 1.474 . . . . 55.59 116.785 -176.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.4 -52.63 62.83 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 124.214 1.006 . . . . 51.48 112.471 -177.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.23 -45.85 75.99 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.328 0.492 . . . . 77.08 112.328 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 m -55.08 -55.23 33.32 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.118 0.967 . . . . 49.48 112.044 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.269 6.1 m -63.59 -40.94 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 112.59 0.589 . . . . 44.96 112.59 179.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 mm -60.14 -48.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 C-N-CA 124.224 1.01 . . . . 41.24 110.793 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -59.43 -40.77 87.81 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 112.611 0.597 . . . . 83.5 112.611 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -68.58 -42.95 77.55 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 122.701 0.4 . . . . 74.81 111.396 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.3 -48.04 82.31 Favored 'Isoleucine or valine' 0 C--N 1.361 1.095 0 N-CA-C 108.331 -0.989 . . . . 38.54 108.331 178.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -54.63 -48.84 71.77 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 118.163 -0.923 . . . . 52.89 111.845 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -55.97 -50.74 69.98 Favored 'General case' 0 C--N 1.366 1.309 0 CA-C-N 118.427 0.558 . . . . 39.4 109.62 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.94 -38.32 88.04 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.164 0.802 . . . . 46.51 113.164 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -67.81 -46.54 71.59 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-N 117.842 0.292 . . . . 69.85 110.92 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.7 m -60.91 -36.78 80.17 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.046 1.338 . . . . 47.22 110.18 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.91 -35.97 81.2 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.347 1.059 . . . . 44.85 111.167 177.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 43' ' ' LYS . 14.1 mt -71.7 -43.22 70.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.079 -0.711 . . . . 51.14 109.079 177.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.07 81.08 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.848 0.859 . . . . 47.76 109.159 176.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -58.24 -51.58 69.17 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.321 1.448 . . . . 52.8 111.376 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -45.71 90.75 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 124.847 1.259 . . . . 58.06 112.464 179.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -50.31 69.44 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 126.473 1.909 . . . . 102.78 109.357 178.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.42 -43.23 99.34 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 125.449 1.499 . . . . 67.11 114.213 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.08 -41.92 97.54 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 109.316 -0.624 . . . . 72.73 109.316 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MSE . . . . . 0.402 ' CE ' HG11 ' A' ' 98' ' ' VAL . 46.8 mtt -67.93 -39.07 83.56 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.876 1.67 . . . . 92.08 113.871 -178.767 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -48.72 74.36 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.06 0.944 . . . . 122.98 109.638 176.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -66.73 -23.85 66.16 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.889 1.676 . . . . 86.18 113.119 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.257 0.2 OUTLIER -116.45 -6.51 11.72 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.965 1.469 . . . . 90.77 114.965 -177.806 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.38 69.29 1.36 Allowed Glycine 0 C--N 1.335 0.504 0 C-N-CA 123.717 0.675 . . . . 94.07 114.695 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.44 156.56 38.92 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.105 0.962 . . . . 92.82 113.128 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 p -62.19 154.82 26.24 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.314 1.446 . . . . 95.68 111.68 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -55.82 -36.78 67.85 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 124.458 1.103 . . . . 119.82 112.257 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -65.7 -44.23 86.76 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 125.317 1.447 . . . . 137.62 109.239 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -59.69 -44.15 93.77 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.412 1.085 . . . . 112.43 112.868 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.37 -28.21 64.94 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.487 0.715 . . . . 80.58 112.024 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.03 -52.78 25.09 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.9 1.28 . . . . 113.81 108.082 177.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -52.66 -42.51 64.77 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 126.307 1.843 . . . . 99.87 112.073 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.68 -44.57 89.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 C-N-CA 124.697 1.199 . . . . 58.8 109.337 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.42 -44.68 92.83 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.081 1.352 . . . . 111.02 109.649 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -58.23 -43.11 87.59 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.119 1.368 . . . . 56.09 110.277 176.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . 0.459 HD13 HD13 ' A' ' 91' ' ' ILE . 9.3 mt -64.54 -44.48 90.66 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 113.268 0.84 . . . . 54.35 113.268 176.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HA ' HD13 ' A' ' 19' ' ' ILE . 28.3 tttm -56.8 -44.88 82.39 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 123.535 0.522 . . . . 109.41 110.548 177.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -61.19 -42.01 97.82 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 118.598 -0.715 . . . . 84.91 112.527 177.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.99 -36.9 75.67 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 123.561 0.744 . . . . 104.22 110.373 175.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG22 HG21 ' A' ' 87' ' ' ILE . 52.1 t -67.96 -48.55 74.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 CA-C-O 119.267 -0.397 . . . . 45.84 110.676 178.496 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -59.28 -37.99 79.03 Favored 'General case' 0 C--N 1.368 1.375 0 O-C-N 123.658 0.599 . . . . 67.83 111.751 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.01 -55.38 33.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.254 0.622 . . . . 77.87 111.904 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 80' ' ' ALA 0.256 8.0 tp -64.25 -37.4 79.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 119.376 -0.345 . . . . 61.62 111.761 -179.98 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.91 74.63 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.731 -0.652 . . . . 53.95 112.659 178.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 p -66.84 -34.71 78.41 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 113.343 0.868 . . . . 64.0 113.343 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.92 -17.6 17.8 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 113.461 0.911 . . . . 54.72 113.461 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . 0.271 30.1 m -114.38 -6.38 11.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 117.883 2.549 . . . . 56.85 117.883 -178.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -48.13 -34.85 10.49 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.212 1.805 . . . . 72.19 112.173 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -55.39 -41.14 72.26 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 118.495 -0.764 . . . . 46.92 110.136 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.49 -29.01 64.32 Favored 'General case' 0 C--N 1.377 1.765 0 N-CA-C 115.275 1.584 . . . . 56.57 115.275 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.8 t -60.59 -47.83 91.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 107.983 -1.117 . . . . 38.04 107.983 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -75.86 -51.28 12.88 Favored 'General case' 0 C--N 1.371 1.503 0 CA-C-N 118.78 0.718 . . . . 45.55 112.191 174.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.16 -48.34 17.46 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 113.503 0.927 . . . . 48.8 113.503 -177.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -57.91 -46.9 84.26 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.661 0.6 . . . . 61.53 112.589 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -59.79 -49.0 79.44 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.773 0.829 . . . . 69.23 110.547 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.89 -42.86 72.65 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 127.281 2.233 . . . . 75.67 114.877 -177.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . 0.381 0.0 OUTLIER -91.56 54.25 2.46 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 115.491 1.663 . . . . 90.13 115.491 179.653 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.17 32.97 68.31 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.915 1.721 . . . . 102.74 116.36 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.97 7.58 1.57 Allowed 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 126.107 1.763 . . . . 123.12 113.844 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -77.37 145.09 37.47 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 124.133 0.973 . . . . 117.65 109.027 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -96.05 62.01 2.16 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 121.291 0.567 . . . . 131.22 110.21 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mp -108.39 82.92 1.69 Allowed 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.594 1.158 . . . . 102.14 110.036 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 73' ' ' GLU . 2.3 mp -95.4 158.69 15.35 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 125.526 1.53 . . . . 92.94 112.072 -179.065 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.2 p -81.91 158.87 23.79 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.809 -1.182 . . . . 82.97 107.809 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.66 -50.62 42.63 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.168 1.787 . . . . 88.66 109.47 178.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.21 -44.13 97.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.838 1.655 . . . . 87.13 111.936 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . 0.559 ' HB3' HD23 ' A' ' 69' ' ' LEU . 77.0 mt-10 -61.32 -56.72 17.26 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 125.058 1.343 . . . . 76.46 109.506 179.028 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -44.85 -50.45 10.31 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.606 1.962 . . . . 71.68 112.374 174.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -62.81 -40.8 98.5 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.48 1.112 . . . . 92.95 113.502 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.16 -38.94 82.65 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.581 1.152 . . . . 85.39 108.655 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.5 mm -63.59 -47.11 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 N-CA-C 108.891 -0.781 . . . . 60.19 108.891 175.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -60.82 -38.06 84.14 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 124.432 1.093 . . . . 62.68 112.473 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -72.61 -31.74 65.4 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 117.789 0.268 . . . . 102.29 110.515 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . 0.547 ' HA ' HD11 ' A' ' 49' ' ' ILE . . . -71.22 -44.65 64.96 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 108.804 -0.813 . . . . 44.69 108.804 176.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.2 mt -52.62 -35.65 54.91 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 124.773 1.229 . . . . 46.12 112.176 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -45.78 65.91 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.597 1.559 . . . . 53.76 112.807 179.196 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.07 -40.12 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.399 -0.963 . . . . 45.82 108.399 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.61 -39.81 92.57 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.327 1.451 . . . . 43.38 110.902 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -70.02 -33.19 71.69 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-O 118.575 -0.726 . . . . 61.62 111.185 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -68.17 -36.22 79.27 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.582 -0.525 . . . . 72.43 109.582 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ILE . . . . . 0.47 HG21 HG22 ' A' ' 46' ' ' VAL . 36.1 mt -63.04 -44.81 99.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 N-CA-C 109.242 -0.651 . . . . 44.51 109.242 178.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -54.6 -47.03 73.87 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.369 0.668 . . . . 44.66 110.257 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.34 -48.79 78.09 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 125.247 1.419 . . . . 83.54 110.283 178.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -67.4 -28.49 67.96 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.04 0.536 . . . . 92.69 112.379 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . 0.459 HD13 HD13 ' A' ' 42' ' ' LEU . 12.3 mm -66.48 -52.66 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.718 0.807 . . . . 55.21 109.564 176.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.64 -44.18 96.38 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 C-N-CA 125.659 1.583 . . . . 47.99 109.211 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.9 t -58.89 -42.67 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.812 0.845 . . . . 48.65 110.297 176.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -64.97 -48.11 75.19 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.916 0.887 . . . . 76.58 110.999 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 44.1 mtt -50.56 -55.45 16.16 Favored 'General case' 0 C--N 1.359 1.004 0 N-CA-C 107.948 -1.13 . . . . 53.82 107.948 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.42 -37.59 75.68 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.157 1.54 . . . . 60.66 115.157 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -69.73 -31.46 69.47 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.65 1.58 . . . . 110.44 112.478 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . 0.402 HG11 ' CE ' ' A' ' 26' ' ' MSE 0.365 16.2 m -89.19 1.98 6.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 116.348 1.981 . . . . 70.64 116.348 -176.401 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.77 -1.16 58.05 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 114.829 0.692 . . . . 71.09 114.829 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 140.08 53.5 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 106.811 -1.552 . . . . 76.69 106.811 177.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 60.27 52.65 4.78 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.4 1.48 . . . . 83.02 112.506 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -67.87 -64.93 0.76 Allowed 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.733 1.213 . . . . 133.85 110.936 -178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -100.15 61.51 0.68 Allowed Glycine 0 C--N 1.334 0.453 0 N-CA-C 108.634 -1.786 . . . . 85.35 108.634 177.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -146.91 143.27 28.39 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 125.929 1.692 . . . . 95.33 107.852 -177.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 3.9 ttm -69.99 88.56 0.58 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.542 1.537 . . . . 86.17 107.203 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.99 -127.72 36.14 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 110.815 -0.914 . . . . 66.77 110.815 -175.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.3 p -120.79 22.57 11.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 117.488 0.644 . . . . 61.46 109.747 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.74 -45.39 63.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.613 2.079 . . . . 60.84 116.613 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -72.88 -41.81 64.3 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 123.328 0.393 . . . . 99.98 111.12 -178.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.71 -49.07 86.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 125.437 1.495 . . . . 48.68 107.386 179.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 t -58.06 -45.74 86.57 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.397 1.479 . . . . 55.71 111.727 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -64.46 -42.08 96.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.555 0.742 . . . . 65.66 110.624 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -60.79 -47.13 87.72 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.913 0.885 . . . . 56.98 109.872 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.0 -43.04 99.46 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.606 0.595 . . . . 44.2 112.606 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.48 -37.23 82.86 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.526 1.131 . . . . 61.35 110.299 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.3 p -62.94 -39.89 96.0 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.295 1.438 . . . . 53.94 112.664 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -27.3 68.88 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.364 1.866 . . . . 62.75 113.771 179.226 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.78 -28.79 24.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.905 2.482 . . . . 94.75 116.638 -177.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.8 p . . . . . 0 C--N 1.343 0.315 0 C-N-CA 122.803 0.441 . . . . 109.18 110.757 -178.607 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.566 1.588 0 CA-C-O 121.586 0.707 . . . . 74.79 112.083 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PHE . . . . . 0.654 ' HB2' HG21 ' B' ' 7' ' ' THR . 0.0 OUTLIER -111.09 176.35 5.06 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.966 1.839 . . . . 72.34 115.966 -175.39 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -125.35 18.66 8.23 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 114.823 1.416 . . . . 86.51 114.823 -178.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.38 -144.23 17.12 Favored Glycine 0 C--O 1.237 0.317 0 N-CA-C 114.909 0.724 . . . . 52.45 114.909 178.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.22 -40.01 57.84 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.807 2.043 . . . . 47.92 114.873 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -45.93 89.58 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 118.232 -0.89 . . . . 102.19 111.269 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' THR . . . . . 0.654 HG21 ' HB2' ' B' ' 2' ' ' PHE . 18.7 m -58.74 -49.94 75.76 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 124.746 1.219 . . . . 54.15 111.407 179.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . 0.296 1.3 m -61.2 -46.62 96.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 C-N-CA 125.347 1.459 . . . . 48.15 113.183 179.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mm -64.0 -47.03 92.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 C-N-CA 124.065 0.946 . . . . 45.96 109.182 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -61.63 -31.73 71.84 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.79 0.663 . . . . 99.71 112.79 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -76.27 -47.36 24.06 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.591 -0.719 . . . . 53.34 112.178 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -62.76 -44.13 99.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 C-N-CA 124.854 1.262 . . . . 45.61 109.877 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 65.3 m -60.48 -42.43 96.25 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.435 1.094 . . . . 58.13 113.209 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -62.9 -45.48 92.32 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.053 0.388 . . . . 40.78 110.049 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.28 -47.79 84.52 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.683 1.193 . . . . 45.87 109.843 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -62.66 -35.11 78.58 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.981 1.313 . . . . 63.34 113.76 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 87.9 m -74.5 -40.09 62.02 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.079 1.752 . . . . 41.59 109.415 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.84 92.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 122.963 0.505 . . . . 38.49 109.907 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 mt -64.85 -42.49 95.0 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 C-N-CA 123.665 0.786 . . . . 44.42 109.46 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.84 95.46 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 125.441 1.496 . . . . 43.87 108.731 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -66.12 -37.6 86.13 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.933 0.893 . . . . 45.86 109.698 176.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.3 mt -72.1 -45.95 58.63 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-N 118.649 0.659 . . . . 48.64 110.954 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -61.79 -35.02 76.97 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.89 0.876 . . . . 66.3 110.584 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.26 -45.03 94.64 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 124.927 1.251 . . . . 58.6 112.647 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.55 -45.4 79.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.515 1.526 . . . . 68.07 111.335 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 48.0 mtt -59.99 -35.92 76.06 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.041 1.337 . . . . 69.03 112.639 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.46 -46.07 91.58 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.236 1.014 . . . . 111.37 110.651 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -67.74 -58.63 4.29 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 124.328 1.051 . . . . 80.82 110.696 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 33.3 p -69.08 -19.79 64.07 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 115.487 1.662 . . . . 69.62 115.487 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.76 133.95 2.44 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.857 -1.297 . . . . 59.79 109.857 -174.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.17 158.57 42.51 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.596 0.591 . . . . 62.99 112.596 179.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 34.9 p -86.33 176.15 8.06 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.074 -1.084 . . . . 65.17 108.074 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -69.85 -36.3 75.43 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 107.373 -1.343 . . . . 117.1 107.373 175.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -66.52 -43.87 84.02 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 124.831 1.252 . . . . 84.26 111.507 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -60.25 -39.77 87.96 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.869 0.867 . . . . 97.2 109.926 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.0 -37.68 66.9 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.855 0.862 . . . . 68.13 112.438 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -60.64 -34.6 74.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.738 1.615 . . . . 104.01 114.486 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -73.55 -26.14 60.71 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 118.365 0.529 . . . . 87.08 111.869 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -74.56 -39.17 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 106.58 -1.637 . . . . 55.14 106.58 175.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -67.05 -26.27 66.67 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.575 0.954 . . . . 70.41 113.575 177.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -72.93 -37.02 67.32 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.691 -1.226 . . . . 97.52 107.691 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.6 -49.69 67.84 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.508 1.523 . . . . 49.31 111.511 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.97 -43.84 82.03 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 125.74 1.616 . . . . 74.76 109.627 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.16 -32.02 73.49 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.579 0.955 . . . . 115.56 113.579 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -66.61 -50.24 63.66 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.644 1.178 . . . . 124.95 108.12 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.58 -43.12 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.686 0.794 . . . . 50.24 111.235 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -67.93 -28.79 67.78 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.21 0.819 . . . . 71.8 113.21 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -68.26 -55.95 10.38 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.781 0.833 . . . . 101.38 110.491 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' B' ' 80' ' ' ALA . 8.4 tp -65.62 -35.96 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 C-N-CA 125.162 1.385 . . . . 64.04 112.638 -178.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 -51.55 69.4 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.848 1.259 . . . . 63.85 111.237 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 70.6 p -64.72 -25.31 67.88 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.353 0.872 . . . . 72.82 113.353 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.86 -14.33 56.4 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.48 0.312 . . . . 63.55 111.326 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.2 -0.49 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.696 0 N-CA-C 114.493 1.294 . . . . 59.74 114.493 -177.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -64.05 -36.3 83.55 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.075 1.509 . . . . 69.97 115.075 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -49.12 -35.09 15.53 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.863 1.665 . . . . 53.11 111.824 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.77 -24.88 67.04 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 126.802 2.041 . . . . 52.51 114.115 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.86 -54.57 30.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.454 -1.313 . . . . 49.17 107.454 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -72.15 -39.36 68.81 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.441 -0.79 . . . . 63.71 112.321 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.02 78.52 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 113.135 0.791 . . . . 43.18 113.135 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -57.25 -34.51 68.69 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.024 0.829 . . . . 51.3 111.386 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -70.3 -50.14 42.37 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.896 1.278 . . . . 53.13 110.529 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.33 -10.12 0.83 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.205 1.802 . . . . 59.57 113.247 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . 0.279 0.0 OUTLIER -131.27 54.24 1.93 Allowed 'General case' 0 C--N 1.364 1.218 0 N-CA-C 114.966 1.469 . . . . 70.83 114.966 178.712 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.51 30.32 55.52 Favored Glycine 0 C--O 1.241 0.581 0 N-CA-C 118.613 2.205 . . . . 59.11 118.613 176.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 43.6 t0 55.91 51.6 11.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.283 1.515 . . . . 72.42 110.342 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -126.81 133.43 50.79 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.231 -1.766 . . . . 67.2 106.231 177.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -82.35 91.27 6.78 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 104.652 -2.351 . . . . 68.23 104.652 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 105.2 8.15 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 104.751 -2.315 . . . . 54.95 104.751 -178.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' B' ' 73' ' ' GLU . 1.0 OUTLIER -120.43 145.99 46.67 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 113.622 0.971 . . . . 51.4 113.622 -173.538 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 14.9 p -76.52 172.51 12.87 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.581 1.152 . . . . 54.85 109.112 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.16 -52.25 66.33 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.073 0.949 . . . . 55.73 111.696 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -56.95 -51.46 69.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.067 0.947 . . . . 92.71 109.836 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLU . . . . . 0.471 ' HB3' ' HG ' ' B' ' 69' ' ' LEU . 62.7 mt-10 -54.37 -49.01 70.81 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 124.427 1.091 . . . . 55.13 113.218 178.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -64.51 -42.59 95.71 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.093 0.775 . . . . 78.29 113.093 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -63.2 -47.6 81.88 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.3 1.04 . . . . 86.02 110.218 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -38.94 70.33 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.293 1.837 . . . . 99.32 112.677 177.841 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -36.02 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 125.55 1.54 . . . . 67.53 112.07 179.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.59 -38.41 91.01 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.622 1.569 . . . . 92.73 109.1 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -65.3 -60.12 3.32 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.501 2.321 . . . . 84.51 107.302 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ALA . . . . . 0.637 ' HA ' HD11 ' B' ' 49' ' ' ILE . . . -50.64 -41.09 54.86 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 124.437 1.095 . . . . 47.12 113.931 178.817 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.88 -32.44 73.96 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.015 0.746 . . . . 50.71 113.015 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 34.2 mt -73.56 -41.63 62.69 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 119.519 -0.277 . . . . 43.13 111.201 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.2 -46.7 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 123.141 0.576 . . . . 47.38 109.709 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.02 -36.45 77.28 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 124.297 1.039 . . . . 51.62 112.801 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -75.32 -25.19 57.65 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 123.692 0.62 . . . . 88.57 111.253 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.05 -54.06 12.5 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.901 1.281 . . . . 52.02 108.064 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mt -51.51 -41.05 26.23 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 C-N-CA 125.951 1.7 . . . . 41.44 110.212 173.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -58.59 -49.06 78.84 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 118.561 -0.733 . . . . 57.77 111.565 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -66.9 -32.77 74.25 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.726 0.694 . . . . 70.66 111.971 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -61.43 -39.7 91.75 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-O 119.176 -0.44 . . . . 62.37 111.522 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 14.9 mt -66.59 -42.05 89.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 127.101 2.161 . . . . 51.99 110.022 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 29.8 mm -60.77 -46.7 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 107.829 -1.175 . . . . 48.54 107.829 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.67 -49.58 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 125.492 1.517 . . . . 46.47 107.199 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -54.45 -40.96 68.9 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.841 1.257 . . . . 70.41 112.772 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' MET . . . . . . . . . . . . . 8.4 mtp -59.67 -41.52 90.8 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.268 1.027 . . . . 52.12 111.496 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 42.0 mt -72.59 -44.77 61.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.768 0.827 . . . . 47.29 111.506 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -47.61 75.53 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 124.816 1.246 . . . . 74.67 112.415 179.965 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . 0.307 10.6 m -79.23 -4.21 6.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 N-CA-C 113.492 0.923 . . . . 47.05 113.492 179.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.92 13.95 76.4 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 117.471 1.749 . . . . 52.8 117.471 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -30.09 70.18 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.486 1.114 . . . . 61.2 111.724 178.098 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.59 157.22 46.57 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.17 1.388 . . . . 69.78 110.806 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -134.01 104.14 6.11 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 103.997 -2.594 . . . . 114.5 103.997 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.05 178.53 45.95 Favored Glycine 0 C--O 1.236 0.267 0 N-CA-C 115.047 0.779 . . . . 80.93 115.047 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -69.5 -24.95 63.83 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.685 1.194 . . . . 119.08 113.839 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 15.5 mtp -67.36 -38.35 84.67 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.046 0.385 . . . . 87.61 111.538 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.65 -38.63 61.25 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 124.381 0.991 . . . . 70.47 114.369 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 49.8 p -70.8 -32.34 69.39 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 123.956 0.902 . . . . 67.93 111.342 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -50.74 54.03 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.37 1.068 . . . . 71.4 109.548 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -58.97 -34.69 72.09 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.374 1.07 . . . . 107.45 112.863 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 78.8 mt -73.64 -44.57 52.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.607 -0.516 . . . . 54.09 109.607 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 8.5 m -63.12 -39.61 95.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.965 0.906 . . . . 68.11 111.24 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.64 -40.31 94.41 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.863 1.265 . . . . 67.91 110.14 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -68.16 -36.78 80.18 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.515 1.526 . . . . 50.72 109.49 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.49 -36.01 60.69 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 117.742 0.246 . . . . 56.36 111.096 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.94 -44.78 96.04 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.812 1.245 . . . . 70.9 108.177 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 7.6 p -60.65 -31.23 70.46 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 126.764 2.026 . . . . 66.71 112.586 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mp -79.57 -28.83 41.14 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 123.748 0.819 . . . . 63.66 111.594 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.37 -32.85 16.29 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 126.366 1.866 . . . . 91.82 115.712 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--N 1.35 0.614 0 C-N-CA 122.963 0.505 . . . . 110.98 111.576 -178.256 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.806 0 CA-C-O 119.307 -0.378 . . . . 68.94 111.85 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -93.64 93.44 8.04 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.007 -1.479 . . . . 82.17 107.007 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.68 -56.66 6.39 Favored Glycine 0 C--O 1.241 0.577 0 N-CA-C 116.785 1.474 . . . . 55.59 116.785 -176.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.627 ' H ' HE22 ' A' ' 60' ' ' GLN . . . -62.4 -52.63 62.83 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 124.214 1.006 . . . . 51.48 112.471 -177.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.23 -45.85 75.99 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.328 0.492 . . . . 77.08 112.328 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 m -55.08 -55.23 33.32 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.118 0.967 . . . . 49.48 112.044 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.269 6.1 m -63.59 -40.94 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 112.59 0.589 . . . . 44.96 112.59 179.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 mm -60.14 -48.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 C-N-CA 124.224 1.01 . . . . 41.24 110.793 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -59.43 -40.77 87.81 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 112.611 0.597 . . . . 83.5 112.611 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -68.58 -42.95 77.55 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 122.701 0.4 . . . . 74.81 111.396 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.3 -48.04 82.31 Favored 'Isoleucine or valine' 0 C--N 1.361 1.095 0 N-CA-C 108.331 -0.989 . . . . 38.54 108.331 178.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -54.63 -48.84 71.77 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 118.163 -0.923 . . . . 52.89 111.845 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -55.97 -50.74 69.98 Favored 'General case' 0 C--N 1.366 1.309 0 CA-C-N 118.427 0.558 . . . . 39.4 109.62 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.94 -38.32 88.04 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.164 0.802 . . . . 46.51 113.164 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -67.81 -46.54 71.59 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-N 117.842 0.292 . . . . 69.85 110.92 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.7 m -60.91 -36.78 80.17 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.046 1.338 . . . . 47.22 110.18 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.91 -35.97 81.2 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.347 1.059 . . . . 44.85 111.167 177.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 43' ' ' LYS . 14.1 mt -71.7 -43.22 70.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.079 -0.711 . . . . 51.14 109.079 177.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.07 81.08 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.848 0.859 . . . . 47.76 109.159 176.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -58.24 -51.58 69.17 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.321 1.448 . . . . 52.8 111.376 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -45.71 90.75 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 124.847 1.259 . . . . 58.06 112.464 179.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -50.31 69.44 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 126.473 1.909 . . . . 102.78 109.357 178.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.42 -43.23 99.34 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 125.449 1.499 . . . . 67.11 114.213 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.08 -41.92 97.54 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 109.316 -0.624 . . . . 72.73 109.316 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MSE . . . . . 0.402 ' CE ' HG11 ' A' ' 98' ' ' VAL . 46.8 mtt -67.93 -39.07 83.56 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.876 1.67 . . . . 92.08 113.871 -178.767 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -48.72 74.36 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.06 0.944 . . . . 122.98 109.638 176.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -66.73 -23.85 66.16 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.889 1.676 . . . . 86.18 113.119 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.257 0.2 OUTLIER -116.45 -6.51 11.72 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.965 1.469 . . . . 90.77 114.965 -177.806 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.38 69.29 1.36 Allowed Glycine 0 C--N 1.335 0.504 0 C-N-CA 123.717 0.675 . . . . 94.07 114.695 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.44 156.56 38.92 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.105 0.962 . . . . 92.82 113.128 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 p -62.19 154.82 26.24 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.314 1.446 . . . . 95.68 111.68 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -55.82 -36.78 67.85 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 124.458 1.103 . . . . 119.82 112.257 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -65.7 -44.23 86.76 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 125.317 1.447 . . . . 137.62 109.239 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.551 ' HA ' HE21 ' A' ' 38' ' ' GLN . 84.1 mt-10 -59.69 -44.15 93.77 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.412 1.085 . . . . 112.43 112.868 -179.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.37 -28.21 64.94 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.487 0.715 . . . . 80.58 112.024 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.03 -52.78 25.09 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.9 1.28 . . . . 113.81 108.082 177.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.551 HE21 ' HA ' ' A' ' 35' ' ' GLU . 26.4 mt-30 -52.66 -42.51 64.77 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 126.307 1.843 . . . . 99.87 112.073 178.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.68 -44.57 89.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 C-N-CA 124.697 1.199 . . . . 58.8 109.337 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.42 -44.68 92.83 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.081 1.352 . . . . 111.02 109.649 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -58.23 -43.11 87.59 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.119 1.368 . . . . 56.09 110.277 176.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.459 HD13 HD13 ' A' ' 91' ' ' ILE . 9.3 mt -64.54 -44.48 90.66 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 113.268 0.84 . . . . 54.35 113.268 176.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HA ' HD13 ' A' ' 19' ' ' ILE . 28.3 tttm -56.8 -44.88 82.39 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 123.535 0.522 . . . . 109.41 110.548 177.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -61.19 -42.01 97.82 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 118.598 -0.715 . . . . 84.91 112.527 177.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.99 -36.9 75.67 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 123.561 0.744 . . . . 104.22 110.373 175.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG22 HG21 ' A' ' 87' ' ' ILE . 52.1 t -67.96 -48.55 74.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 CA-C-O 119.267 -0.397 . . . . 45.84 110.676 178.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -59.28 -37.99 79.03 Favored 'General case' 0 C--N 1.368 1.375 0 O-C-N 123.658 0.599 . . . . 67.83 111.751 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.01 -55.38 33.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.254 0.622 . . . . 77.87 111.904 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 80' ' ' ALA 0.256 8.0 tp -64.25 -37.4 79.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 119.376 -0.345 . . . . 61.62 111.761 -179.98 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.91 74.63 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.731 -0.652 . . . . 53.95 112.659 178.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 p -66.84 -34.71 78.41 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 113.343 0.868 . . . . 64.0 113.343 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.92 -17.6 17.8 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 113.461 0.911 . . . . 54.72 113.461 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . 0.271 30.1 m -114.38 -6.38 11.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 117.883 2.549 . . . . 56.85 117.883 -178.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -48.13 -34.85 10.49 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.212 1.805 . . . . 72.19 112.173 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -55.39 -41.14 72.26 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 118.495 -0.764 . . . . 46.92 110.136 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.49 -29.01 64.32 Favored 'General case' 0 C--N 1.377 1.765 0 N-CA-C 115.275 1.584 . . . . 56.57 115.275 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.8 t -60.59 -47.83 91.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 107.983 -1.117 . . . . 38.04 107.983 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -75.86 -51.28 12.88 Favored 'General case' 0 C--N 1.371 1.503 0 CA-C-N 118.78 0.718 . . . . 45.55 112.191 174.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.16 -48.34 17.46 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 113.503 0.927 . . . . 48.8 113.503 -177.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.627 HE22 ' H ' ' A' ' 5' ' ' ALA . 16.1 tt0 -57.91 -46.9 84.26 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.661 0.6 . . . . 61.53 112.589 179.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -59.79 -49.0 79.44 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.773 0.829 . . . . 69.23 110.547 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.89 -42.86 72.65 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 127.281 2.233 . . . . 75.67 114.877 -177.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . 0.381 0.0 OUTLIER -91.56 54.25 2.46 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 115.491 1.663 . . . . 90.13 115.491 179.653 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.17 32.97 68.31 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.915 1.721 . . . . 102.74 116.36 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.97 7.58 1.57 Allowed 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 126.107 1.763 . . . . 123.12 113.844 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -77.37 145.09 37.47 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 124.133 0.973 . . . . 117.65 109.027 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -96.05 62.01 2.16 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 121.291 0.567 . . . . 131.22 110.21 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mp -108.39 82.92 1.69 Allowed 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.594 1.158 . . . . 102.14 110.036 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 73' ' ' GLU . 2.3 mp -95.4 158.69 15.35 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 125.526 1.53 . . . . 92.94 112.072 -179.065 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.2 p -81.91 158.87 23.79 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.809 -1.182 . . . . 82.97 107.809 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.66 -50.62 42.63 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.168 1.787 . . . . 88.66 109.47 178.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.21 -44.13 97.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.838 1.655 . . . . 87.13 111.936 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.559 ' HB3' HD23 ' A' ' 69' ' ' LEU . 77.0 mt-10 -61.32 -56.72 17.26 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 125.058 1.343 . . . . 76.46 109.506 179.028 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -44.85 -50.45 10.31 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.606 1.962 . . . . 71.68 112.374 174.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -62.81 -40.8 98.5 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.48 1.112 . . . . 92.95 113.502 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.16 -38.94 82.65 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.581 1.152 . . . . 85.39 108.655 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.5 mm -63.59 -47.11 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 N-CA-C 108.891 -0.781 . . . . 60.19 108.891 175.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -60.82 -38.06 84.14 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 124.432 1.093 . . . . 62.68 112.473 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -72.61 -31.74 65.4 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 117.789 0.268 . . . . 102.29 110.515 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.547 ' HA ' HD11 ' A' ' 49' ' ' ILE . . . -71.22 -44.65 64.96 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 108.804 -0.813 . . . . 44.69 108.804 176.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.2 mt -52.62 -35.65 54.91 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 124.773 1.229 . . . . 46.12 112.176 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -45.78 65.91 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.597 1.559 . . . . 53.76 112.807 179.196 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.07 -40.12 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.399 -0.963 . . . . 45.82 108.399 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.61 -39.81 92.57 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.327 1.451 . . . . 43.38 110.902 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -70.02 -33.19 71.69 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-O 118.575 -0.726 . . . . 61.62 111.185 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -68.17 -36.22 79.27 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.582 -0.525 . . . . 72.43 109.582 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.47 HG21 HG22 ' A' ' 46' ' ' VAL . 36.1 mt -63.04 -44.81 99.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 N-CA-C 109.242 -0.651 . . . . 44.51 109.242 178.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -54.6 -47.03 73.87 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.369 0.668 . . . . 44.66 110.257 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.34 -48.79 78.09 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 125.247 1.419 . . . . 83.54 110.283 178.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -67.4 -28.49 67.96 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.04 0.536 . . . . 92.69 112.379 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.459 HD13 HD13 ' A' ' 42' ' ' LEU . 12.3 mm -66.48 -52.66 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.718 0.807 . . . . 55.21 109.564 176.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.64 -44.18 96.38 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 C-N-CA 125.659 1.583 . . . . 47.99 109.211 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.9 t -58.89 -42.67 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.812 0.845 . . . . 48.65 110.297 176.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -64.97 -48.11 75.19 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.916 0.887 . . . . 76.58 110.999 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 44.1 mtt -50.56 -55.45 16.16 Favored 'General case' 0 C--N 1.359 1.004 0 N-CA-C 107.948 -1.13 . . . . 53.82 107.948 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.42 -37.59 75.68 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.157 1.54 . . . . 60.66 115.157 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -69.73 -31.46 69.47 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.65 1.58 . . . . 110.44 112.478 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.402 HG11 ' CE ' ' A' ' 26' ' ' MSE 0.365 16.2 m -89.19 1.98 6.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 116.348 1.981 . . . . 70.64 116.348 -176.401 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.77 -1.16 58.05 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 114.829 0.692 . . . . 71.09 114.829 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 140.08 53.5 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 106.811 -1.552 . . . . 76.69 106.811 177.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 60.27 52.65 4.78 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.4 1.48 . . . . 83.02 112.506 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -67.87 -64.93 0.76 Allowed 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.733 1.213 . . . . 133.85 110.936 -178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -100.15 61.51 0.68 Allowed Glycine 0 C--N 1.334 0.453 0 N-CA-C 108.634 -1.786 . . . . 85.35 108.634 177.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -146.91 143.27 28.39 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 125.929 1.692 . . . . 95.33 107.852 -177.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 3.9 ttm -69.99 88.56 0.58 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.542 1.537 . . . . 86.17 107.203 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.99 -127.72 36.14 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 110.815 -0.914 . . . . 66.77 110.815 -175.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.3 p -120.79 22.57 11.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 117.488 0.644 . . . . 61.46 109.747 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.74 -45.39 63.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.613 2.079 . . . . 60.84 116.613 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -72.88 -41.81 64.3 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 123.328 0.393 . . . . 99.98 111.12 -178.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.71 -49.07 86.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 125.437 1.495 . . . . 48.68 107.386 179.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 t -58.06 -45.74 86.57 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.397 1.479 . . . . 55.71 111.727 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -64.46 -42.08 96.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.555 0.742 . . . . 65.66 110.624 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -60.79 -47.13 87.72 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.913 0.885 . . . . 56.98 109.872 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.0 -43.04 99.46 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.606 0.595 . . . . 44.2 112.606 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.48 -37.23 82.86 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.526 1.131 . . . . 61.35 110.299 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.3 p -62.94 -39.89 96.0 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.295 1.438 . . . . 53.94 112.664 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -27.3 68.88 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.364 1.866 . . . . 62.75 113.771 179.226 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.78 -28.79 24.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.905 2.482 . . . . 94.75 116.638 -177.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.8 p . . . . . 0 C--N 1.343 0.315 0 C-N-CA 122.803 0.441 . . . . 109.18 110.757 -178.607 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.566 1.588 0 CA-C-O 121.586 0.707 . . . . 74.79 112.083 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.654 ' HB2' HG21 ' B' ' 7' ' ' THR . 0.0 OUTLIER -111.09 176.35 5.06 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.966 1.839 . . . . 72.34 115.966 -175.39 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -125.35 18.66 8.23 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 114.823 1.416 . . . . 86.51 114.823 -178.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.664 ' HA3' HE22 ' B' ' 60' ' ' GLN . . . 98.38 -144.23 17.12 Favored Glycine 0 C--O 1.237 0.317 0 N-CA-C 114.909 0.724 . . . . 52.45 114.909 178.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.527 ' H ' ' NE2' ' B' ' 60' ' ' GLN . . . -51.22 -40.01 57.84 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.807 2.043 . . . . 47.92 114.873 -178.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -45.93 89.58 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 118.232 -0.89 . . . . 102.19 111.269 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' THR . . . . . 0.654 HG21 ' HB2' ' B' ' 2' ' ' PHE . 18.7 m -58.74 -49.94 75.76 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 124.746 1.219 . . . . 54.15 111.407 179.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . 0.296 1.3 m -61.2 -46.62 96.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 C-N-CA 125.347 1.459 . . . . 48.15 113.183 179.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mm -64.0 -47.03 92.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 C-N-CA 124.065 0.946 . . . . 45.96 109.182 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -61.63 -31.73 71.84 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.79 0.663 . . . . 99.71 112.79 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -76.27 -47.36 24.06 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.591 -0.719 . . . . 53.34 112.178 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -62.76 -44.13 99.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 C-N-CA 124.854 1.262 . . . . 45.61 109.877 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 65.3 m -60.48 -42.43 96.25 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.435 1.094 . . . . 58.13 113.209 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -62.9 -45.48 92.32 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.053 0.388 . . . . 40.78 110.049 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.28 -47.79 84.52 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.683 1.193 . . . . 45.87 109.843 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -62.66 -35.11 78.58 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.981 1.313 . . . . 63.34 113.76 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 87.9 m -74.5 -40.09 62.02 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.079 1.752 . . . . 41.59 109.415 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.84 92.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 122.963 0.505 . . . . 38.49 109.907 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 mt -64.85 -42.49 95.0 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 C-N-CA 123.665 0.786 . . . . 44.42 109.46 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.84 95.46 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 125.441 1.496 . . . . 43.87 108.731 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -66.12 -37.6 86.13 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.933 0.893 . . . . 45.86 109.698 176.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.3 mt -72.1 -45.95 58.63 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-N 118.649 0.659 . . . . 48.64 110.954 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -61.79 -35.02 76.97 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.89 0.876 . . . . 66.3 110.584 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.26 -45.03 94.64 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 124.927 1.251 . . . . 58.6 112.647 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.55 -45.4 79.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.515 1.526 . . . . 68.07 111.335 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 48.0 mtt -59.99 -35.92 76.06 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.041 1.337 . . . . 69.03 112.639 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.46 -46.07 91.58 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.236 1.014 . . . . 111.37 110.651 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -67.74 -58.63 4.29 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 124.328 1.051 . . . . 80.82 110.696 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 33.3 p -69.08 -19.79 64.07 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 115.487 1.662 . . . . 69.62 115.487 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.76 133.95 2.44 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.857 -1.297 . . . . 59.79 109.857 -174.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.17 158.57 42.51 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.596 0.591 . . . . 62.99 112.596 179.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 34.9 p -86.33 176.15 8.06 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.074 -1.084 . . . . 65.17 108.074 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -69.85 -36.3 75.43 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 107.373 -1.343 . . . . 117.1 107.373 175.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -66.52 -43.87 84.02 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 124.831 1.252 . . . . 84.26 111.507 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -60.25 -39.77 87.96 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.869 0.867 . . . . 97.2 109.926 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.0 -37.68 66.9 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.855 0.862 . . . . 68.13 112.438 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -60.64 -34.6 74.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.738 1.615 . . . . 104.01 114.486 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -73.55 -26.14 60.71 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 118.365 0.529 . . . . 87.08 111.869 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -74.56 -39.17 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 106.58 -1.637 . . . . 55.14 106.58 175.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -67.05 -26.27 66.67 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.575 0.954 . . . . 70.41 113.575 177.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -72.93 -37.02 67.32 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.691 -1.226 . . . . 97.52 107.691 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.6 -49.69 67.84 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.508 1.523 . . . . 49.31 111.511 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.97 -43.84 82.03 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 125.74 1.616 . . . . 74.76 109.627 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.16 -32.02 73.49 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.579 0.955 . . . . 115.56 113.579 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -66.61 -50.24 63.66 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.644 1.178 . . . . 124.95 108.12 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.58 -43.12 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.686 0.794 . . . . 50.24 111.235 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -67.93 -28.79 67.78 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.21 0.819 . . . . 71.8 113.21 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -68.26 -55.95 10.38 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.781 0.833 . . . . 101.38 110.491 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' B' ' 80' ' ' ALA . 8.4 tp -65.62 -35.96 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 C-N-CA 125.162 1.385 . . . . 64.04 112.638 -178.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 -51.55 69.4 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.848 1.259 . . . . 63.85 111.237 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 70.6 p -64.72 -25.31 67.88 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.353 0.872 . . . . 72.82 113.353 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.86 -14.33 56.4 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.48 0.312 . . . . 63.55 111.326 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.2 -0.49 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.696 0 N-CA-C 114.493 1.294 . . . . 59.74 114.493 -177.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -64.05 -36.3 83.55 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.075 1.509 . . . . 69.97 115.075 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -49.12 -35.09 15.53 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.863 1.665 . . . . 53.11 111.824 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.77 -24.88 67.04 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 126.802 2.041 . . . . 52.51 114.115 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.86 -54.57 30.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.454 -1.313 . . . . 49.17 107.454 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -72.15 -39.36 68.81 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.441 -0.79 . . . . 63.71 112.321 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.02 78.52 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 113.135 0.791 . . . . 43.18 113.135 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.664 HE22 ' HA3' ' B' ' 4' ' ' GLY . 6.7 tt0 -57.25 -34.51 68.69 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.024 0.829 . . . . 51.3 111.386 178.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -70.3 -50.14 42.37 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.896 1.278 . . . . 53.13 110.529 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.33 -10.12 0.83 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.205 1.802 . . . . 59.57 113.247 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . 0.279 0.0 OUTLIER -131.27 54.24 1.93 Allowed 'General case' 0 C--N 1.364 1.218 0 N-CA-C 114.966 1.469 . . . . 70.83 114.966 178.712 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.51 30.32 55.52 Favored Glycine 0 C--O 1.241 0.581 0 N-CA-C 118.613 2.205 . . . . 59.11 118.613 176.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 43.6 t0 55.91 51.6 11.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.283 1.515 . . . . 72.42 110.342 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -126.81 133.43 50.79 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.231 -1.766 . . . . 67.2 106.231 177.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -82.35 91.27 6.78 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 104.652 -2.351 . . . . 68.23 104.652 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 105.2 8.15 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 104.751 -2.315 . . . . 54.95 104.751 -178.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' B' ' 73' ' ' GLU . 1.0 OUTLIER -120.43 145.99 46.67 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 113.622 0.971 . . . . 51.4 113.622 -173.538 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 14.9 p -76.52 172.51 12.87 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.581 1.152 . . . . 54.85 109.112 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.16 -52.25 66.33 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.073 0.949 . . . . 55.73 111.696 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -56.95 -51.46 69.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.067 0.947 . . . . 92.71 109.836 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.471 ' HB3' ' HG ' ' B' ' 69' ' ' LEU . 62.7 mt-10 -54.37 -49.01 70.81 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 124.427 1.091 . . . . 55.13 113.218 178.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -64.51 -42.59 95.71 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.093 0.775 . . . . 78.29 113.093 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -63.2 -47.6 81.88 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.3 1.04 . . . . 86.02 110.218 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -38.94 70.33 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.293 1.837 . . . . 99.32 112.677 177.841 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -36.02 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 125.55 1.54 . . . . 67.53 112.07 179.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.59 -38.41 91.01 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.622 1.569 . . . . 92.73 109.1 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -65.3 -60.12 3.32 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.501 2.321 . . . . 84.51 107.302 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.637 ' HA ' HD11 ' B' ' 49' ' ' ILE . . . -50.64 -41.09 54.86 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 124.437 1.095 . . . . 47.12 113.931 178.817 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.88 -32.44 73.96 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.015 0.746 . . . . 50.71 113.015 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 34.2 mt -73.56 -41.63 62.69 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 119.519 -0.277 . . . . 43.13 111.201 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.2 -46.7 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 123.141 0.576 . . . . 47.38 109.709 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.02 -36.45 77.28 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 124.297 1.039 . . . . 51.62 112.801 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -75.32 -25.19 57.65 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 123.692 0.62 . . . . 88.57 111.253 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.05 -54.06 12.5 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.901 1.281 . . . . 52.02 108.064 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mt -51.51 -41.05 26.23 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 C-N-CA 125.951 1.7 . . . . 41.44 110.212 173.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -58.59 -49.06 78.84 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 118.561 -0.733 . . . . 57.77 111.565 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -66.9 -32.77 74.25 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.726 0.694 . . . . 70.66 111.971 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -61.43 -39.7 91.75 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-O 119.176 -0.44 . . . . 62.37 111.522 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 14.9 mt -66.59 -42.05 89.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 127.101 2.161 . . . . 51.99 110.022 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 29.8 mm -60.77 -46.7 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 107.829 -1.175 . . . . 48.54 107.829 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.67 -49.58 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 125.492 1.517 . . . . 46.47 107.199 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -54.45 -40.96 68.9 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.841 1.257 . . . . 70.41 112.772 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' MET . . . . . . . . . . . . . 8.4 mtp -59.67 -41.52 90.8 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.268 1.027 . . . . 52.12 111.496 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 42.0 mt -72.59 -44.77 61.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.768 0.827 . . . . 47.29 111.506 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -47.61 75.53 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 124.816 1.246 . . . . 74.67 112.415 179.965 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . 0.307 10.6 m -79.23 -4.21 6.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 N-CA-C 113.492 0.923 . . . . 47.05 113.492 179.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.92 13.95 76.4 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 117.471 1.749 . . . . 52.8 117.471 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -30.09 70.18 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.486 1.114 . . . . 61.2 111.724 178.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.59 157.22 46.57 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.17 1.388 . . . . 69.78 110.806 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -134.01 104.14 6.11 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 103.997 -2.594 . . . . 114.5 103.997 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.05 178.53 45.95 Favored Glycine 0 C--O 1.236 0.267 0 N-CA-C 115.047 0.779 . . . . 80.93 115.047 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -69.5 -24.95 63.83 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.685 1.194 . . . . 119.08 113.839 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 15.5 mtp -67.36 -38.35 84.67 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.046 0.385 . . . . 87.61 111.538 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.65 -38.63 61.25 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 124.381 0.991 . . . . 70.47 114.369 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 49.8 p -70.8 -32.34 69.39 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 123.956 0.902 . . . . 67.93 111.342 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -50.74 54.03 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.37 1.068 . . . . 71.4 109.548 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -58.97 -34.69 72.09 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.374 1.07 . . . . 107.45 112.863 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 78.8 mt -73.64 -44.57 52.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.607 -0.516 . . . . 54.09 109.607 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 8.5 m -63.12 -39.61 95.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.965 0.906 . . . . 68.11 111.24 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.64 -40.31 94.41 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.863 1.265 . . . . 67.91 110.14 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -68.16 -36.78 80.18 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.515 1.526 . . . . 50.72 109.49 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.49 -36.01 60.69 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 117.742 0.246 . . . . 56.36 111.096 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.94 -44.78 96.04 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.812 1.245 . . . . 70.9 108.177 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 7.6 p -60.65 -31.23 70.46 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 126.764 2.026 . . . . 66.71 112.586 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mp -79.57 -28.83 41.14 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 123.748 0.819 . . . . 63.66 111.594 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.37 -32.85 16.29 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 126.366 1.866 . . . . 91.82 115.712 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--N 1.35 0.614 0 C-N-CA 122.963 0.505 . . . . 110.98 111.576 -178.256 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_