data_6mct_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6mct _Structure_validation_residue.Date_analyzed 2019-03-29 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 ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.897 0.38 . . . . 87.0 110.106 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -63.83 -40.84 97.55 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.981 -0.688 . . . . 68.82 111.516 -171.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.76 -41.6 95.77 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.201 -1.0 . . . . 50.39 111.25 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.98 -41.89 99.68 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 119.666 -0.814 . . . . 70.76 110.842 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -60.38 -33.94 73.19 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 119.181 -1.008 . . . . 55.97 111.469 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.55 -44.8 93.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 C-N-CA 119.685 -0.806 . . . . 29.05 110.259 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.7 t -57.59 -44.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 O-C-N 121.667 -0.646 . . . . 28.01 110.964 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -62.59 -47.98 81.42 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.967 -0.693 . . . . 32.1 111.19 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.96 -36.71 82.81 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 117.694 -1.602 . . . . 30.36 111.335 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.45 -38.05 82.95 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 117.87 -1.532 . . . . 20.51 110.943 174.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.72 -41.66 98.05 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.956 -0.297 . . . . 38.49 110.986 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.29 -35.53 80.66 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.201 -0.937 . . . . 28.57 111.889 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.23 -38.8 83.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 119.845 -0.742 . . . . 20.62 110.83 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.95 -47.21 94.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 121.64 -0.662 . . . . 23.54 109.832 174.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.14 -45.06 91.91 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.267 0.556 . . . . 35.27 110.595 -179.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.18 -36.64 83.62 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.618 -0.833 . . . . 29.45 111.81 -177.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.85 -32.48 69.51 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.646 -0.822 . . . . 25.14 111.234 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.41 -39.65 94.25 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.828 -0.545 . . . . 40.85 110.517 174.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.98 97.63 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.243 0.545 . . . . 28.03 111.166 173.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.87 -45.4 98.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 120.901 0.382 . . . . 27.19 110.762 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.0 t -59.31 -41.4 84.02 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-O 121.314 0.578 . . . . 33.91 110.315 179.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -64.1 -47.8 78.63 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.201 -1.0 . . . . 68.07 111.291 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.53 -32.68 71.7 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 119.888 -0.725 . . . . 43.22 111.339 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -73.45 -36.26 65.87 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 121.821 -0.55 . . . . 55.43 111.819 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -69.68 -25.25 63.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 119.099 -1.04 . . . . 93.79 111.52 171.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 201' ' ' HOH . . . 121.7 83.29 0.69 Allowed Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 118.165 0.439 . . . . 106.02 112.248 -177.479 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.076 0 CA-C-N 116.048 -0.076 . . . . 96.06 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.715 -0.476 . . . . 72.03 109.715 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -67.0 -38.59 86.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.243 -0.89 . . . . 47.59 111.955 -171.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.01 -36.94 85.62 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 119.547 -0.861 . . . . 48.41 110.805 -173.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -70.04 -37.03 75.44 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.305 -0.958 . . . . 74.3 110.594 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -65.63 -37.72 87.37 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 118.947 -1.101 . . . . 43.62 111.478 173.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.98 -43.1 98.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 118.475 -1.29 . . . . 26.83 109.523 -178.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.43 -40.42 86.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 119.274 -0.97 . . . . 29.21 109.784 -178.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -63.09 -45.63 91.18 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 120.691 -0.403 . . . . 38.4 110.232 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.27 -34.16 72.46 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 118.768 -1.173 . . . . 24.26 111.115 -177.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 53.6 mt -64.49 -38.09 89.8 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 118.506 -1.278 . . . . 22.17 109.18 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -64.05 -41.64 97.31 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.515 -0.874 . . . . 31.52 111.679 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.0 -36.97 78.35 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 118.996 -1.082 . . . . 24.62 111.336 173.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.78 -43.1 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 120.218 -0.593 . . . . 20.53 110.489 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.9 t -53.81 -49.51 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 121.995 -0.44 . . . . 22.81 110.694 172.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.77 -36.61 84.44 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 119.315 -0.954 . . . . 26.33 110.974 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -73.09 -34.34 66.13 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 118.348 -1.341 . . . . 27.57 110.96 -176.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.44 -38.24 77.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.056 -0.658 . . . . 19.97 111.481 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.48 -45.59 80.86 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.933 0.397 . . . . 30.85 111.407 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.86 86.79 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 122.118 -0.364 . . . . 25.08 111.588 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.64 -44.6 96.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 118.079 -1.448 . . . . 24.13 110.552 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 40.7 t -55.12 -44.2 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 121.175 -0.953 . . . . 29.48 110.402 177.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -68.83 -37.35 79.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.978 0.894 . . . . 42.77 111.377 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -65.16 -42.92 93.29 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 121.753 -0.592 . . . . 36.47 111.526 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.96 -41.81 99.64 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.68 -0.408 . . . . 34.98 110.683 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 52.7 tpt85 -67.18 -27.69 67.49 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 120.737 -0.385 . . . . 54.14 111.203 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.04 -11.95 85.1 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-O 121.163 0.313 . . . . 64.05 113.811 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.031 0 O-C-N 122.88 -0.188 . . . . 67.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 120.812 0.339 . . . . 69.52 111.452 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -59.08 -37.36 76.91 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.954 -0.566 . . . . 56.4 111.68 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.65 -35.81 77.75 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 119.31 -0.956 . . . . 46.22 110.63 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -59.07 -42.28 90.0 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.093 -0.643 . . . . 70.67 111.053 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -64.77 -40.25 94.96 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.55 0.69 . . . . 46.68 111.176 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.83 -46.89 93.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 C-N-CA 120.305 -0.558 . . . . 24.32 110.325 -178.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.6 t -58.67 -46.42 90.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.398 0.618 . . . . 30.09 111.093 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -59.01 -48.32 82.01 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.453 0.644 . . . . 33.3 111.691 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.99 -39.63 93.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 118.896 -1.121 . . . . 26.81 111.595 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.23 -40.87 91.73 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 119.256 -0.978 . . . . 21.83 111.115 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.14 -42.96 99.49 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.173 -0.611 . . . . 32.73 111.752 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.51 -37.08 79.99 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 118.41 -1.316 . . . . 30.58 111.966 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 70.0 mt -63.9 -43.32 97.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 120.172 -0.611 . . . . 24.78 110.06 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.86 -48.01 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 121.636 0.731 . . . . 21.84 111.134 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.27 -41.8 97.56 Favored 'General case' 0 C--O 1.188 -2.166 0 O-C-N 121.082 -1.012 . . . . 25.0 110.597 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 58.4 mt -69.99 -36.48 75.2 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 119.0 -1.08 . . . . 27.91 111.377 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.2 -36.6 84.69 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 119.009 -1.077 . . . . 22.55 111.82 173.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.17 -43.58 98.65 Favored 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.19 -0.944 . . . . 25.61 110.89 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.84 -42.69 89.92 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.672 -0.642 . . . . 21.68 110.85 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.69 -46.32 89.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 C-N-CA 120.638 -0.425 . . . . 25.61 110.103 -179.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 t -55.67 -47.66 78.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.296 0 CA-C-O 121.463 0.649 . . . . 27.17 109.851 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.03 -40.35 97.47 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 118.668 -1.213 . . . . 51.23 111.972 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.33 -40.79 94.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.66 -0.816 . . . . 35.18 111.586 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.37 -42.66 98.87 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.653 -0.819 . . . . 34.85 110.598 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 tpt85 -68.26 -35.22 77.55 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.24 -0.584 . . . . 54.93 111.001 -174.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.1 -12.89 61.23 Favored Glycine 0 C--N 1.324 -0.108 0 N-CA-C 115.914 1.126 . . . . 78.49 115.914 -175.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 122.976 -0.132 . . . . 95.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.867 0.842 . . . . 69.36 111.732 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -62.2 -39.08 91.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.207 -0.997 . . . . 55.16 110.843 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.9 -32.51 74.05 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 117.198 -1.801 . . . . 48.41 110.745 -173.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' LYS . . . . . 0.498 ' NZ ' ' O ' ' D' ' 201' ' ' HOH . 40.9 pttt -65.68 -38.25 88.75 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 119.115 -1.034 . . . . 65.88 110.693 178.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -67.29 -37.06 82.77 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 119.117 -1.033 . . . . 52.53 110.792 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.34 -45.81 92.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 C-N-CA 120.099 -0.64 . . . . 27.76 110.338 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.78 -44.3 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 118.901 -1.12 . . . . 29.07 111.194 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.09 -48.98 79.45 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.576 -0.702 . . . . 35.93 111.905 -179.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.4 -38.47 91.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 119.178 -1.009 . . . . 25.92 111.791 179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.08 -37.67 88.12 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 118.265 -1.374 . . . . 23.41 111.126 176.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -62.57 -40.33 96.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 119.929 -0.708 . . . . 36.61 112.541 175.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.65 -37.19 85.4 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.959 -1.088 . . . . 27.61 111.569 173.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.7 -41.72 93.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 C-N-CA 120.139 -0.624 . . . . 20.83 110.38 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 t -56.68 -47.74 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.761 -0.587 . . . . 23.67 111.063 173.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.47 -40.13 96.31 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.534 -0.729 . . . . 24.16 111.452 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.77 -41.03 88.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 120.28 -0.568 . . . . 28.62 112.072 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 72.2 mt -66.47 -37.14 84.47 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.182 -0.607 . . . . 21.05 111.009 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 tp -56.05 -46.69 78.83 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.259 -0.576 . . . . 32.52 111.155 170.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.71 87.21 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 119.589 -0.845 . . . . 22.8 110.943 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.82 -43.3 98.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 120.038 -0.665 . . . . 23.92 111.051 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.66 -47.54 85.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 121.501 -0.749 . . . . 26.54 110.184 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -66.34 -37.83 86.24 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 117.314 -1.754 . . . . 39.33 111.573 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.2 -40.44 97.49 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.334 -0.546 . . . . 36.95 111.097 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.02 -41.05 78.26 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 119.112 -1.035 . . . . 37.9 110.869 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 tpt85 -61.56 -34.42 75.54 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.148 -1.021 . . . . 74.53 111.178 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.04 80.26 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 114.286 0.475 . . . . 65.64 114.286 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 122.678 -0.307 . . . . 61.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 51.3 t0 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 108.752 -0.833 . . . . 90.54 108.752 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 41.6 m -57.95 -43.89 86.64 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.697 -0.801 . . . . 67.19 110.967 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.18 -38.56 86.94 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 118.302 -1.359 . . . . 51.75 111.031 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.93 -37.57 85.18 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.625 -0.83 . . . . 66.76 111.644 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -66.35 -39.3 89.09 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 118.658 -1.217 . . . . 57.9 110.234 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.43 -45.4 98.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 C-N-CA 120.24 -0.584 . . . . 30.61 110.259 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.15 -41.63 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 119.049 -1.06 . . . . 30.45 110.716 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.15 -48.29 80.74 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 119.845 -0.742 . . . . 39.17 111.158 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.86 -36.46 82.37 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.408 -0.517 . . . . 27.25 110.965 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.87 -34.79 78.96 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 118.023 -1.471 . . . . 22.62 110.012 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -64.78 -41.69 95.66 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.822 -0.751 . . . . 41.55 110.941 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.17 -39.17 85.5 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.605 -0.438 . . . . 30.0 111.027 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.45 -41.07 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 122.057 -0.402 . . . . 22.44 110.185 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 70.2 t -55.99 -51.7 58.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 C-N-CA 120.425 -0.51 . . . . 23.33 110.848 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.38 -38.4 80.4 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 119.413 -0.915 . . . . 28.79 110.314 -178.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.43 -37.65 80.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 117.841 -1.544 . . . . 26.13 111.638 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.56 -31.09 67.99 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 118.658 -1.217 . . . . 23.16 110.748 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.0 -42.43 99.85 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 118.814 -1.154 . . . . 33.24 110.291 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.51 88.17 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.396 -0.522 . . . . 24.91 111.303 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -63.86 -44.91 98.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.763 0 CA-C-O 120.952 0.406 . . . . 26.27 111.717 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.52 -43.44 78.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 121.618 -0.676 . . . . 29.21 110.761 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -67.44 -35.02 78.4 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 122.015 -0.428 . . . . 58.68 111.121 -177.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.07 -32.82 67.41 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 119.936 -0.706 . . . . 41.0 110.927 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.49 -34.95 70.61 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 118.535 -1.266 . . . . 62.07 111.381 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -68.17 -51.67 43.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.461 -0.496 . . . . 96.69 111.255 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.8 -9.82 12.48 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.93 -0.468 . . . . 133.56 111.93 -175.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 O-C-N 122.916 -0.167 . . . . 132.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 121.492 0.663 . . . . 91.59 111.753 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -62.92 -40.21 96.92 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.417 -0.81 . . . . 59.33 110.632 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 3' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.92 -40.26 94.87 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 119.531 -0.868 . . . . 52.94 111.479 -176.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -68.31 -33.66 74.72 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.823 -0.751 . . . . 74.56 111.986 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 5' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -65.79 -39.62 91.14 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.644 -0.822 . . . . 44.49 111.104 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 6' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.91 -50.97 77.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.525 -0.47 . . . . 31.24 110.784 -178.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.81 -43.91 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.491 0.662 . . . . 37.67 111.56 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.15 -44.41 96.67 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 120.959 -1.088 . . . . 45.32 112.113 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 9' ' ' LEU . . . . . . . . . . . . . 58.0 mt -69.68 -35.11 74.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 118.675 -1.21 . . . . 29.71 110.673 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 10' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.13 -37.46 87.53 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 118.793 -1.163 . . . . 23.67 110.703 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -63.39 -41.74 98.79 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 120.069 -0.652 . . . . 46.55 111.062 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 12' ' ' LEU . . . . . . . . . . . . . 51.9 mt -59.71 -41.14 90.15 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 121.698 -0.626 . . . . 32.96 111.509 172.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.43 -41.1 90.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 119.691 -0.803 . . . . 25.58 110.126 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.73 -47.36 93.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 121.49 0.662 . . . . 28.93 110.297 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.81 -39.59 89.56 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 119.88 -0.728 . . . . 40.22 111.406 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -69.37 -35.32 75.72 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 119.467 -0.893 . . . . 28.09 110.798 -178.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 81.9 mt -72.49 -30.44 64.53 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.149 -0.969 . . . . 23.99 110.12 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 18' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.48 -39.02 81.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.171 -0.612 . . . . 37.56 110.301 176.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.74 89.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.919 0.39 . . . . 31.31 111.27 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 68.5 mt -67.09 -42.12 87.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 121.947 -0.471 . . . . 28.72 110.919 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.54 -45.93 93.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 119.143 -1.023 . . . . 34.29 110.249 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -58.78 -43.25 90.41 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.109 0.48 . . . . 56.88 110.67 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 23' ' ' LEU . . . . . 0.425 ' CD2' ' CG ' ' J' ' 25' ' ' ARG . 57.4 mt -64.94 -41.57 95.39 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.748 -0.595 . . . . 52.4 112.532 179.114 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.14 -36.02 82.02 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 120.508 -0.477 . . . . 54.53 111.97 -175.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 25' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -73.76 -9.23 58.45 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.739 0.644 . . . . 84.19 112.739 173.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.46 107.85 1.03 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 118.59 0.632 . . . . 105.86 113.508 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.001 0 O-C-N 123.215 0.009 . . . . 106.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 . . . . . 0 C--O 1.238 0.473 0 N-CA-C 109.163 -0.68 . . . . 93.76 109.163 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -65.88 -36.21 82.79 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 119.985 -0.686 . . . . 62.23 111.352 -176.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mt -56.76 -47.59 79.78 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 118.294 -1.363 . . . . 61.85 109.125 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -62.04 -40.49 95.91 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.522 -0.871 . . . . 71.76 111.671 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 5' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -61.47 -36.03 79.29 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.006 -1.077 . . . . 63.26 112.082 173.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 6' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.42 -43.71 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 119.899 -0.72 . . . . 34.29 110.444 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.19 -45.8 88.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 121.786 -0.571 . . . . 32.54 110.77 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 8' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.21 -48.75 80.06 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 121.608 -0.683 . . . . 36.56 112.002 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 9' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.32 -39.03 93.42 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.399 -0.92 . . . . 36.4 112.093 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.64 -40.74 93.08 Favored 'General case' 0 C--O 1.25 1.105 0 C-N-CA 118.83 -1.148 . . . . 22.75 111.281 175.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -57.34 -46.14 83.6 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 116.129 -0.487 . . . . 39.82 111.216 175.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.93 -36.96 82.94 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 119.885 -0.726 . . . . 29.36 111.243 174.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 13' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.04 -43.89 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 119.688 -0.805 . . . . 23.92 110.379 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.65 -47.08 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.331 0.586 . . . . 24.97 109.423 176.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 15' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.28 -42.33 95.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.397 -0.921 . . . . 45.54 110.437 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.41 -33.53 69.53 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 119.788 -0.765 . . . . 27.9 110.81 -175.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 55.9 mt -70.64 -36.59 73.49 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 118.873 -1.131 . . . . 25.39 109.595 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.93 -42.49 94.06 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.629 -0.26 . . . . 36.56 111.163 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.24 81.93 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 122.369 0.268 . . . . 31.04 111.538 172.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 20' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.26 -43.66 98.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 120.211 -0.596 . . . . 30.96 111.351 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -58.09 -46.28 88.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 O-C-N 120.803 -1.186 . . . . 36.91 109.968 178.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -57.48 -46.2 83.98 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.195 0.521 . . . . 58.58 111.309 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -31.56 72.6 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.213 0.449 . . . . 44.35 112.213 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -85.36 -0.93 56.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.09 1.144 . . . . 61.21 114.09 176.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 tpt85 -116.55 -57.33 2.2 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.534 1.061 . . . . 92.42 111.94 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.38 26.45 1.54 Allowed Glycine 0 C--N 1.331 0.282 0 CA-C-N 118.787 0.721 . . . . 124.47 114.797 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 123.027 -0.102 . . . . 126.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 1' ' ' ASP . . . . . 0.46 ' N ' ' O21' ' H' ' 102' ' ' C8E . 3.2 p30 . . . . . 0 C--O 1.238 0.493 0 N-CA-C 111.825 0.306 . . . . 79.79 111.825 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -58.41 -40.37 82.27 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.309 0.485 . . . . 48.31 112.309 -174.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.42 -35.13 78.66 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 117.5 -1.68 . . . . 55.04 111.243 -174.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -62.73 -41.05 98.98 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 119.698 -0.801 . . . . 67.4 110.225 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 5' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -67.49 -37.65 83.18 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 119.043 -1.063 . . . . 44.76 110.845 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 6' ' ' ILE . . . . . . . . . . . . . 52.9 mt -63.32 -43.91 98.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.33 -0.548 . . . . 34.78 110.929 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.6 -44.45 93.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.68 -0.808 . . . . 31.37 110.26 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 8' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -59.15 -47.28 85.87 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.037 0.446 . . . . 39.63 111.777 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.28 -34.87 78.31 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 119.874 -0.73 . . . . 25.86 111.837 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.77 -40.05 91.62 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 118.844 -1.142 . . . . 26.31 110.31 176.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.43 -44.88 95.34 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.89 0.33 . . . . 34.94 111.89 175.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 12' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.16 -35.76 74.08 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 120.082 -0.647 . . . . 29.28 111.85 173.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 13' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.94 -40.95 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 118.698 -1.201 . . . . 22.15 110.667 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.34 -44.5 75.71 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 CA-C-O 120.966 0.412 . . . . 26.29 111.382 173.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.59 -39.35 80.96 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.583 -0.698 . . . . 32.1 111.08 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 16' ' ' LEU . . . . . . . . . . . . . 63.7 mt -69.72 -37.88 76.7 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 119.367 -0.933 . . . . 29.35 111.002 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -65.95 -38.17 87.93 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 118.933 -1.107 . . . . 25.5 111.766 174.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 18' ' ' LEU . . . . . . . . . . . . . 32.7 tp -57.94 -40.89 81.61 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.821 -0.751 . . . . 27.33 111.137 173.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.01 -44.11 97.9 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.007 -0.433 . . . . 29.47 110.865 174.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 20' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.1 -41.58 92.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 119.86 -0.736 . . . . 28.3 111.529 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.35 -46.88 85.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.66 -0.65 . . . . 29.81 110.441 176.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -67.84 -39.52 83.84 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 117.896 -1.522 . . . . 53.26 110.908 -176.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 23' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' H' ' 27' ' ' NH2 . 52.0 mt -61.67 -43.14 99.42 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.04 0.385 . . . . 39.73 112.04 177.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -62.92 -48.78 77.48 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.122 0.487 . . . . 44.45 111.211 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 tpt85 -64.58 -33.95 77.11 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.287 -0.565 . . . . 80.1 111.715 -174.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.34 -40.36 2.42 Favored Glycine 0 C--O 1.239 0.426 0 CA-C-N 118.107 0.412 . . . . 81.83 113.502 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 27' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' H' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.741 -0.229 . . . . 89.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--O 1.242 0.677 0 CA-C-O 121.598 0.713 . . . . 84.36 111.558 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -61.68 -42.29 98.72 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.507 -0.77 . . . . 62.64 111.304 -179.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 3' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.48 -35.03 78.06 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 118.869 -1.132 . . . . 53.47 111.133 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 4' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' I' ' 101' ' ' HOH . 45.6 mtmt -68.29 -35.51 77.96 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 118.529 -1.268 . . . . 76.59 110.696 179.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 5' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -64.91 -39.1 93.0 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 119.743 -0.783 . . . . 62.23 110.504 175.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.05 -44.08 99.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 119.421 -0.912 . . . . 32.29 109.644 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 7' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.14 -47.1 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 C-N-CA 121.061 -0.256 . . . . 35.56 110.521 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 8' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.24 -46.0 91.31 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 120.869 0.366 . . . . 46.61 111.526 -177.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 9' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.23 -41.21 94.62 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.008 -0.677 . . . . 32.54 111.358 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 10' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.8 -33.93 76.78 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 117.98 -1.488 . . . . 23.76 112.242 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -63.29 -40.87 98.58 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.191 -1.004 . . . . 40.51 111.238 174.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 12' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.31 -37.24 86.49 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.294 -0.879 . . . . 30.2 110.616 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 13' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.33 -41.12 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 119.345 -0.942 . . . . 25.68 110.45 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 14' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.8 -49.85 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.646 -0.659 . . . . 25.34 110.741 172.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.64 -38.5 85.02 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 121.819 -0.551 . . . . 33.68 112.415 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.73 -37.31 73.48 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.168 -0.613 . . . . 27.84 111.505 -178.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.97 -34.84 73.91 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.223 -0.591 . . . . 25.12 110.592 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 tp -59.56 -45.0 93.09 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 119.544 -0.862 . . . . 26.85 110.751 173.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.66 79.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 119.713 -0.795 . . . . 26.84 110.376 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 20' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.71 -42.03 85.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 119.661 -0.816 . . . . 28.26 110.927 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.78 -46.09 79.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 CA-C-O 121.404 0.621 . . . . 30.46 110.445 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 22' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -69.84 -37.28 76.13 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 113.61 -3.236 . . . . 35.67 112.633 -175.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.27 -33.95 77.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.598 1.09 . . . . 40.51 111.621 164.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 24' ' ' LEU . . . . . . . . . . . . . 47.8 mt -74.94 -47.6 28.82 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 118.217 0.462 . . . . 62.75 111.219 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -62.38 1.84 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.044 0.449 . . . . 94.66 110.805 176.134 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.49 -36.89 1.07 Allowed Glycine 0 N--CA 1.45 -0.432 0 O-C-N 121.933 -0.479 . . . . 123.86 113.65 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 O-C-N 123.004 -0.115 . . . . 125.71 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 t0 . . . . . 0 C--O 1.235 0.333 0 N-CA-C 108.774 -0.824 . . . . 89.06 108.774 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -58.74 -40.32 83.46 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.173 -0.611 . . . . 66.72 111.295 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.21 -47.39 81.41 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.433 -0.907 . . . . 55.28 111.134 -177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 4' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -61.28 -39.01 88.82 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.54 -0.864 . . . . 79.35 111.17 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 5' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -65.53 -35.4 80.74 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 119.756 -0.778 . . . . 49.62 111.685 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 6' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.75 -47.34 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 119.572 -0.851 . . . . 31.73 110.57 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -55.79 -47.8 78.98 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 O-C-N 121.247 -0.908 . . . . 35.28 111.001 176.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.24 -46.53 88.44 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 120.359 -0.537 . . . . 35.71 111.552 -177.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 9' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.89 -38.58 89.14 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 119.496 -0.882 . . . . 30.24 111.103 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 10' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.1 -39.31 89.47 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 119.758 -0.777 . . . . 23.03 110.845 174.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.61 -42.58 99.66 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.566 -0.709 . . . . 45.73 110.948 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.02 -41.34 96.37 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 120.305 -0.558 . . . . 28.26 111.726 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 13' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.21 -43.79 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.343 -0.848 . . . . 24.85 110.656 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -55.64 -50.34 67.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 O-C-N 121.623 -0.673 . . . . 26.39 111.223 174.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -59.71 -40.11 86.87 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.613 -0.68 . . . . 36.39 111.278 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.71 -36.07 75.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 120.294 -0.562 . . . . 33.38 111.904 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.49 -35.77 68.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 O-C-N 120.932 -1.105 . . . . 28.37 111.662 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 18' ' ' LEU . . . . . . . . . . . . . 43.0 mt -57.85 -41.13 81.73 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.588 -0.845 . . . . 38.77 110.69 169.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.72 83.94 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 118.328 -1.349 . . . . 30.39 111.003 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 20' ' ' ILE . . . . . . . . . . . . . 39.8 mt -66.77 -39.98 84.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 C-N-CA 119.197 -1.001 . . . . 33.03 109.913 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.42 -38.18 81.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 C-N-CA 119.392 -0.923 . . . . 39.05 109.827 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 22' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.58 -40.75 89.1 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.104 -1.039 . . . . 56.62 110.908 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.29 -32.84 74.5 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 120.325 -0.55 . . . . 48.81 111.636 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 24' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.37 -42.71 71.41 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.368 -0.933 . . . . 69.35 111.416 -178.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 25' ' ' ARG . . . . . 0.425 ' CG ' ' CD2' ' F' ' 23' ' ' LEU . 2.2 mmm180 -107.6 -65.75 1.08 Allowed 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 117.678 -1.154 . . . . 99.14 111.336 -178.433 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.17 -28.56 70.9 Favored Glycine 0 C--N 1.308 -0.973 0 N-CA-C 118.552 2.181 . . . . 99.78 118.552 -168.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.058 0 CA-C-N 116.932 0.366 . . . . 95.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 1' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--O 1.224 -0.263 0 CA-C-O 120.761 0.315 . . . . 92.57 111.156 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 2' ' ' SER . . . . . . . . . . . . . 10.4 m -67.89 -37.16 81.4 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.79 -0.764 . . . . 69.58 111.338 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.57 -41.51 96.24 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.399 -0.52 . . . . 64.43 111.739 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -69.36 -32.33 71.32 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 117.822 -1.551 . . . . 86.65 111.035 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 5' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -64.31 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 119.235 -0.986 . . . . 82.41 111.167 172.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 6' ' ' ILE . . . . . . . . . . . . . 94.6 mt -66.16 -47.27 85.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-O 121.173 0.511 . . . . 38.57 110.608 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 7' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.55 -46.06 78.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.04 -1.064 . . . . 45.79 109.94 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 8' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -65.78 -43.57 88.4 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 119.978 -0.689 . . . . 53.72 112.763 -175.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -66.04 -35.67 81.19 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.363 -0.836 . . . . 32.09 111.703 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 10' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.0 -38.39 88.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 118.89 -1.124 . . . . 31.55 110.545 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.0 -48.46 73.32 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.495 0.664 . . . . 52.38 111.231 172.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.19 -39.09 91.55 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 119.079 -1.048 . . . . 42.07 110.821 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mt -62.48 -41.27 91.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 C-N-CA 119.307 -0.957 . . . . 25.36 110.43 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.59 -51.22 74.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.731 0.301 . . . . 28.61 110.873 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -56.55 -40.48 75.22 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 118.735 -1.186 . . . . 36.22 111.445 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.75 -37.4 73.43 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 121.213 -0.929 . . . . 30.08 112.242 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.5 -37.13 86.11 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 119.668 -0.813 . . . . 27.03 111.756 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 18' ' ' LEU . . . . . . . . . . . . . 38.5 mt -58.46 -39.95 81.29 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 119.737 -0.785 . . . . 35.45 111.743 171.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.32 96.17 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.75 -0.78 . . . . 27.41 110.813 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 20' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.63 -45.42 84.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-O 121.343 0.592 . . . . 28.3 110.37 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.82 -44.86 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.069 -1.053 . . . . 33.03 109.706 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 22' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -60.03 -48.16 82.88 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.928 -0.709 . . . . 52.84 111.388 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 23' ' ' LEU . . . . . . . . . . . . . 48.7 mt -60.28 -44.04 95.71 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 122.057 -0.402 . . . . 38.12 111.587 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 24' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.7 -31.72 72.98 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 118.865 -1.134 . . . . 42.21 111.818 179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -69.15 -26.04 64.68 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.713 -0.795 . . . . 79.1 112.401 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.62 145.8 6.88 Favored Glycine 0 C--O 1.259 1.707 0 CA-C-O 117.027 -1.985 . . . . 107.74 110.484 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 121.5 2.65 . . . . 113.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 1' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 CA--C 1.523 -0.077 0 CA-C-O 120.892 0.377 . . . . 155.08 111.418 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -84.8 -26.89 27.2 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.96 -0.564 . . . . 108.8 112.501 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 3' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.18 -40.27 94.03 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 118.503 0.592 . . . . 67.46 111.536 -176.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 4' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -69.9 -35.68 74.8 Favored 'General case' 0 CA--C 1.509 -0.596 0 C-N-CA 119.4 -0.92 . . . . 85.42 111.464 179.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 5' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -58.18 -38.58 76.95 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 119.736 -0.785 . . . . 63.58 109.864 172.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 6' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.51 -48.08 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 121.239 0.543 . . . . 43.29 111.091 -174.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 7' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.5 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 O-C-N 121.674 -0.641 . . . . 57.24 110.578 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 8' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -65.97 -41.02 91.71 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 121.698 -0.626 . . . . 58.8 111.85 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.04 -37.22 78.46 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 118.306 -1.358 . . . . 35.12 110.916 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 10' ' ' LEU . . . . . . . . . . . . . 31.9 mt -66.64 -40.94 88.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.377 0.608 . . . . 31.05 110.801 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.51 -45.66 77.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.596 -0.729 . . . . 49.36 111.492 170.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.05 -38.62 91.73 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 119.112 -1.035 . . . . 47.27 110.555 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 13' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.07 -40.24 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.855 -0.528 . . . . 25.96 110.69 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 14' ' ' VAL . . . . . . . . . . . . . 46.8 t -61.22 -45.79 97.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 119.615 -0.834 . . . . 30.8 110.965 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.51 -36.71 81.3 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.474 -0.89 . . . . 36.6 111.328 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 16' ' ' LEU . . . . . . . . . . . . . 86.7 mt -74.17 -37.53 63.94 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 118.958 -1.097 . . . . 34.83 111.333 -178.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.94 -34.03 77.44 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 118.968 -1.093 . . . . 23.74 110.523 175.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 18' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.54 -41.91 95.46 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.076 -1.05 . . . . 31.74 110.603 174.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.22 98.42 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 110.31 -0.256 . . . . 28.84 110.31 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 20' ' ' ILE . . . . . . . . . . . . . 57.7 mt -63.06 -43.62 99.11 Favored 'Isoleucine or valine' 0 C--O 1.247 0.938 0 C-N-CA 120.312 -0.555 . . . . 27.21 111.41 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 21' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.19 -42.38 93.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.813 0 C-N-CA 118.245 -1.382 . . . . 35.49 109.804 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 22' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -61.97 -46.09 90.8 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.353 -0.539 . . . . 58.09 110.668 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -59.92 -40.62 89.49 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.792 0.33 . . . . 45.74 111.476 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 24' ' ' LEU . . . . . . . . . . . . . 77.8 mt -71.19 -28.44 64.23 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.365 -0.934 . . . . 46.4 112.364 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 25' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -75.43 -21.5 58.12 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.57 -0.852 . . . . 85.98 112.433 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.95 147.62 7.28 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 115.379 0.912 . . . . 91.12 115.379 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 O-C-N 122.828 -0.219 . . . . 93.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 1' ' ' ASP . . . . . . . . . . . . . 40.9 t0 . . . . . 0 C--O 1.233 0.226 0 N-CA-C 109.565 -0.532 . . . . 110.12 109.565 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -77.99 -46.35 21.29 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 119.813 -0.755 . . . . 87.43 111.366 178.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 3' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.1 -46.71 79.0 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.835 0.35 . . . . 73.87 111.293 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -66.11 -33.37 75.64 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 120.331 -0.547 . . . . 94.6 111.716 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -60.31 -37.26 80.03 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 118.656 -1.217 . . . . 76.97 110.217 168.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 6' ' ' ILE . . . . . . . . . . . . . 87.7 mt -72.21 -46.86 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 120.066 -0.654 . . . . 41.42 110.599 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 t -62.16 -43.56 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 121.263 -0.898 . . . . 46.04 111.248 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 8' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.8 -44.89 96.26 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.557 -0.715 . . . . 59.44 111.821 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 mt -70.05 -37.18 75.47 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 118.649 -1.22 . . . . 40.54 111.721 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 10' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.73 -35.6 80.29 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 117.456 -1.698 . . . . 31.32 110.737 174.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -62.75 -43.63 98.31 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 120.452 -0.499 . . . . 53.14 111.205 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 mt -62.67 -36.99 84.68 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.855 -0.528 . . . . 44.86 111.793 175.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.45 -39.72 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 O-C-N 121.477 -0.764 . . . . 26.45 109.944 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.83 -44.57 98.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 119.586 -0.846 . . . . 33.47 109.907 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.95 -40.3 88.53 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 120.334 -0.546 . . . . 47.64 110.874 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 16' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.88 -37.68 73.03 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 119.962 -0.695 . . . . 34.64 111.338 -177.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.37 -36.38 81.24 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.084 -1.046 . . . . 26.4 111.327 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.65 -42.82 84.24 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.782 -0.767 . . . . 40.34 111.081 171.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.81 92.42 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.815 0.34 . . . . 31.51 111.084 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mt -66.27 -43.19 91.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.93 -0.708 . . . . 30.05 111.157 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.25 -44.26 78.95 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 CA-C-O 121.267 0.556 . . . . 34.49 110.478 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 22' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -62.16 -43.32 99.09 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 120.949 0.404 . . . . 59.16 111.505 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 23' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.01 -39.58 87.1 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.66 -0.246 . . . . 43.35 111.081 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 24' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.93 -26.97 67.84 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.434 -0.907 . . . . 45.88 111.662 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -88.13 -6.36 57.93 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.716 1.006 . . . . 98.35 113.716 171.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.96 27.99 9.77 Favored Glycine 0 CA--C 1.536 1.364 0 N-CA-C 118.268 2.067 . . . . 88.12 118.268 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 O-C-N 122.024 -0.691 . . . . 78.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 1' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 121.572 0.701 . . . . 94.35 111.384 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -72.16 -29.25 63.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.586 -0.734 . . . . 78.67 112.364 -172.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 3' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.71 -39.68 94.9 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 118.265 0.484 . . . . 61.76 111.471 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 4' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -61.55 -38.75 88.62 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.237 -0.585 . . . . 81.13 110.701 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 5' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -67.41 -40.09 85.54 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.379 -0.529 . . . . 75.56 111.349 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.07 -46.12 96.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.579 0.705 . . . . 40.61 109.776 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 7' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.63 -43.44 94.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 119.532 -0.867 . . . . 37.46 110.416 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 8' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.91 -48.8 80.16 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.57 0.7 . . . . 51.15 111.33 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 9' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.58 -40.26 92.54 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.017 -0.673 . . . . 32.0 111.696 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 10' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.01 -34.8 78.34 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 119.133 -1.027 . . . . 26.32 111.119 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -66.67 -40.22 88.49 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.554 -0.458 . . . . 45.67 111.095 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 12' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.74 -38.45 91.17 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 119.366 -0.933 . . . . 38.99 111.191 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 13' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.85 -44.36 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 24.82 111.169 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.41 -46.21 81.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 C-N-CA 120.57 -0.452 . . . . 25.46 110.397 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 15' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.49 -36.94 85.34 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 118.263 -1.375 . . . . 32.19 111.037 -177.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 mt -71.75 -38.33 70.41 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 119.809 -0.757 . . . . 27.1 111.819 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.54 -36.03 81.68 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 118.111 -1.436 . . . . 27.88 111.054 176.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 18' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.56 -40.9 98.33 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 119.935 -0.706 . . . . 33.89 109.889 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.7 83.3 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.597 -0.441 . . . . 31.01 110.515 175.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 20' ' ' ILE . . . . . . . . . . . . . 65.3 mt -67.42 -43.85 87.33 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 C-N-CA 119.546 -0.862 . . . . 29.02 110.797 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -53.03 -44.58 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.199 0.523 . . . . 32.15 110.666 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 22' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -71.07 -36.43 72.28 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.014 -1.074 . . . . 50.59 111.024 -177.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 23' ' ' LEU . . . . . . . . . . . . . 30.7 mt -62.3 -38.62 90.11 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 118.811 -1.156 . . . . 48.62 110.394 175.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 24' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.43 -36.84 71.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 118.19 -1.404 . . . . 49.22 111.508 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 25' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -63.08 -49.93 72.55 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.922 0.328 . . . . 81.92 111.46 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.18 -30.38 37.91 Favored Glycine 0 CA--C 1.519 0.343 0 O-C-N 121.911 -0.493 . . . . 107.53 114.208 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.155 0 O-C-N 122.91 -0.17 . . . . 99.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' O' O ' 1' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 . . . . . 0 C--O 1.235 0.337 0 N-CA-C 112.6 0.593 . . . . 108.88 112.6 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' O' O ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -64.86 -35.59 81.61 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.625 -0.716 . . . . 86.74 111.414 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.0 -38.94 92.92 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 119.549 -0.86 . . . . 62.02 110.807 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -61.29 -38.12 85.64 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 120.632 0.253 . . . . 71.58 110.993 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 5' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -70.6 -33.75 71.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.121 -1.032 . . . . 49.13 111.131 178.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 6' ' ' ILE . . . . . . . . . . . . . 47.3 mt -65.2 -44.21 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 119.883 -0.727 . . . . 35.9 110.666 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 7' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.68 -46.82 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 O-C-N 121.507 -0.745 . . . . 36.7 110.62 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 8' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -55.64 -50.03 71.29 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.665 -0.647 . . . . 47.48 111.464 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.55 -37.7 87.14 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 118.872 -1.131 . . . . 27.74 112.215 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 10' ' ' LEU . . . . . . . . . . . . . 58.3 mt -69.36 -34.89 75.27 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 119.357 -0.937 . . . . 27.84 109.747 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.02 -46.51 88.02 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 120.653 0.263 . . . . 44.49 110.689 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -35.23 80.45 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 112.676 0.621 . . . . 42.77 112.676 177.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' O' O ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.9 -41.82 90.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.291 0 C-N-CA 120.27 -0.572 . . . . 25.5 110.313 175.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.13 -46.66 91.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.401 0 CA-C-O 121.275 0.559 . . . . 26.36 111.19 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 15' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.37 -40.47 96.53 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.287 -0.965 . . . . 32.22 112.193 179.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.68 -38.56 83.87 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 119.639 -0.824 . . . . 28.52 112.271 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.64 -35.37 80.8 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 119.505 -0.878 . . . . 26.33 111.149 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.62 -39.89 95.25 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 119.004 -1.078 . . . . 30.23 110.182 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.57 91.57 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 122.176 -0.328 . . . . 27.31 110.549 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 20' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.7 -43.11 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 120.085 -0.646 . . . . 28.77 111.494 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 21' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.78 -46.01 94.08 Favored 'Isoleucine or valine' 0 C--O 1.25 1.126 0 CA-C-O 121.872 0.844 . . . . 32.16 110.02 176.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 22' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -54.91 -46.71 74.9 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.498 -0.774 . . . . 56.28 111.69 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -69.02 -38.62 79.32 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.316 -0.953 . . . . 44.95 111.569 -176.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 24' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.78 -30.59 71.26 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.047 -0.661 . . . . 51.4 112.085 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -66.52 -46.42 76.26 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.812 -0.755 . . . . 104.81 110.93 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.04 66.33 2.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.28 -0.486 . . . . 150.08 113.235 176.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' O' O ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 O-C-N 122.994 -0.121 . . . . 157.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' SO4 . . . . . 0.874 ' O1 ' ' C1 ' ' B' ' 104' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' C8E . . . . . 0.874 ' C1 ' ' O1 ' ' B' ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 103' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 102' ' ' C8E . . . . . 0.46 ' O21' ' N ' ' H' ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 103' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 103' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' O' O ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.494 ' O ' ' O ' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . 0.498 ' O ' ' NZ ' ' D' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 101' ' ' HOH . . . . . 0.521 ' O ' ' NZ ' ' I' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' O' O ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' O' O ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' O' O ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' O' O ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.897 0.38 . . . . 87.0 110.106 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -63.83 -40.84 97.55 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.981 -0.688 . . . . 68.82 111.516 -171.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 3' ' ' LEU . 11.3 mt -60.76 -41.6 95.77 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.201 -1.0 . . . . 50.39 111.25 -178.205 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.443 ' HG2' H162 ' A' ' 102' ' ' C8E . 89.6 mttt -62.98 -41.89 99.68 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 119.666 -0.814 . . . . 70.76 110.842 179.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -60.38 -33.94 73.19 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 119.181 -1.008 . . . . 55.97 111.469 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.55 -44.8 93.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 C-N-CA 119.685 -0.806 . . . . 29.05 110.259 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.7 t -57.59 -44.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 O-C-N 121.667 -0.646 . . . . 28.01 110.964 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -62.59 -47.98 81.42 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.967 -0.693 . . . . 32.1 111.19 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.96 -36.71 82.81 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 117.694 -1.602 . . . . 30.36 111.335 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.45 -38.05 82.95 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 117.87 -1.532 . . . . 20.51 110.943 174.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.72 -41.66 98.05 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.956 -0.297 . . . . 38.49 110.986 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.29 -35.53 80.66 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.201 -0.937 . . . . 28.57 111.889 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.23 -38.8 83.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 119.845 -0.742 . . . . 20.62 110.83 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.95 -47.21 94.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 121.64 -0.662 . . . . 23.54 109.832 174.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.14 -45.06 91.91 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.267 0.556 . . . . 35.27 110.595 -179.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.18 -36.64 83.62 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.618 -0.833 . . . . 29.45 111.81 -177.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.85 -32.48 69.51 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.646 -0.822 . . . . 25.14 111.234 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.41 -39.65 94.25 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.828 -0.545 . . . . 40.85 110.517 174.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.98 97.63 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.243 0.545 . . . . 28.03 111.166 173.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.87 -45.4 98.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 120.901 0.382 . . . . 27.19 110.762 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.0 t -59.31 -41.4 84.02 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-O 121.314 0.578 . . . . 33.91 110.315 179.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -64.1 -47.8 78.63 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.201 -1.0 . . . . 68.07 111.291 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.53 -32.68 71.7 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 119.888 -0.725 . . . . 43.22 111.339 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -73.45 -36.26 65.87 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 121.821 -0.55 . . . . 55.43 111.819 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -69.68 -25.25 63.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 119.099 -1.04 . . . . 93.79 111.52 171.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 201' ' ' HOH . . . 121.7 83.29 0.69 Allowed Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 118.165 0.439 . . . . 106.02 112.248 -177.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.076 0 CA-C-N 116.048 -0.076 . . . . 96.06 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.715 -0.476 . . . . 72.03 109.715 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -67.0 -38.59 86.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.243 -0.89 . . . . 47.59 111.955 -171.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.01 -36.94 85.62 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 119.547 -0.861 . . . . 48.41 110.805 -173.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -70.04 -37.03 75.44 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.305 -0.958 . . . . 74.3 110.594 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -65.63 -37.72 87.37 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 118.947 -1.101 . . . . 43.62 111.478 173.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.98 -43.1 98.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 118.475 -1.29 . . . . 26.83 109.523 -178.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.43 -40.42 86.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 119.274 -0.97 . . . . 29.21 109.784 -178.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -63.09 -45.63 91.18 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 120.691 -0.403 . . . . 38.4 110.232 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.27 -34.16 72.46 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 118.768 -1.173 . . . . 24.26 111.115 -177.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 53.6 mt -64.49 -38.09 89.8 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 118.506 -1.278 . . . . 22.17 109.18 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -64.05 -41.64 97.31 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.515 -0.874 . . . . 31.52 111.679 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.0 -36.97 78.35 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 118.996 -1.082 . . . . 24.62 111.336 173.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.78 -43.1 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 120.218 -0.593 . . . . 20.53 110.489 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.9 t -53.81 -49.51 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 121.995 -0.44 . . . . 22.81 110.694 172.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.77 -36.61 84.44 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 119.315 -0.954 . . . . 26.33 110.974 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -73.09 -34.34 66.13 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 118.348 -1.341 . . . . 27.57 110.96 -176.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.44 -38.24 77.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.056 -0.658 . . . . 19.97 111.481 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.48 -45.59 80.86 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.933 0.397 . . . . 30.85 111.407 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.86 86.79 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 122.118 -0.364 . . . . 25.08 111.588 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.64 -44.6 96.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 118.079 -1.448 . . . . 24.13 110.552 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 40.7 t -55.12 -44.2 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 121.175 -0.953 . . . . 29.48 110.402 177.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -68.83 -37.35 79.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.978 0.894 . . . . 42.77 111.377 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -65.16 -42.92 93.29 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 121.753 -0.592 . . . . 36.47 111.526 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.96 -41.81 99.64 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.68 -0.408 . . . . 34.98 110.683 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.53 ' HE ' H112 ' H' ' 102' ' ' C8E . 52.7 tpt85 -67.18 -27.69 67.49 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 120.737 -0.385 . . . . 54.14 111.203 -176.726 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.04 -11.95 85.1 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-O 121.163 0.313 . . . . 64.05 113.811 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.031 0 O-C-N 122.88 -0.188 . . . . 67.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 120.812 0.339 . . . . 69.52 111.452 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -59.08 -37.36 76.91 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.954 -0.566 . . . . 56.4 111.68 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.65 -35.81 77.75 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 119.31 -0.956 . . . . 46.22 110.63 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -59.07 -42.28 90.0 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.093 -0.643 . . . . 70.67 111.053 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -64.77 -40.25 94.96 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.55 0.69 . . . . 46.68 111.176 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.83 -46.89 93.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 C-N-CA 120.305 -0.558 . . . . 24.32 110.325 -178.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.6 t -58.67 -46.42 90.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.398 0.618 . . . . 30.09 111.093 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -59.01 -48.32 82.01 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.453 0.644 . . . . 33.3 111.691 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.99 -39.63 93.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 118.896 -1.121 . . . . 26.81 111.595 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.23 -40.87 91.73 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 119.256 -0.978 . . . . 21.83 111.115 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.14 -42.96 99.49 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.173 -0.611 . . . . 32.73 111.752 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.51 -37.08 79.99 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 118.41 -1.316 . . . . 30.58 111.966 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 70.0 mt -63.9 -43.32 97.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 120.172 -0.611 . . . . 24.78 110.06 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.86 -48.01 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 121.636 0.731 . . . . 21.84 111.134 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LEU . . . . . 0.556 HD22 HD22 ' H' ' 15' ' ' LEU . 37.4 mt -61.27 -41.8 97.56 Favored 'General case' 0 C--O 1.188 -2.166 0 O-C-N 121.082 -1.012 . . . . 25.0 110.597 -178.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 58.4 mt -69.99 -36.48 75.2 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 119.0 -1.08 . . . . 27.91 111.377 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.2 -36.6 84.69 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 119.009 -1.077 . . . . 22.55 111.82 173.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.17 -43.58 98.65 Favored 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.19 -0.944 . . . . 25.61 110.89 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.84 -42.69 89.92 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.672 -0.642 . . . . 21.68 110.85 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.69 -46.32 89.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 C-N-CA 120.638 -0.425 . . . . 25.61 110.103 -179.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 t -55.67 -47.66 78.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.296 0 CA-C-O 121.463 0.649 . . . . 27.17 109.851 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' PHE . . . . . 0.472 ' HB3' ' H22' ' H' ' 102' ' ' C8E . 3.7 m-85 -63.03 -40.35 97.47 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 118.668 -1.213 . . . . 51.23 111.972 -179.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.33 -40.79 94.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.66 -0.816 . . . . 35.18 111.586 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.37 -42.66 98.87 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.653 -0.819 . . . . 34.85 110.598 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 tpt85 -68.26 -35.22 77.55 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.24 -0.584 . . . . 54.93 111.001 -174.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.1 -12.89 61.23 Favored Glycine 0 C--N 1.324 -0.108 0 N-CA-C 115.914 1.126 . . . . 78.49 115.914 -175.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 122.976 -0.132 . . . . 95.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' D' ' 4' ' ' LYS . 2.0 p-10 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.867 0.842 . . . . 69.36 111.732 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -62.2 -39.08 91.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.207 -0.997 . . . . 55.16 110.843 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.9 -32.51 74.05 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 117.198 -1.801 . . . . 48.41 110.745 -173.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' D' ' 1' ' ' ASP . 40.9 pttt -65.68 -38.25 88.75 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 119.115 -1.034 . . . . 65.88 110.693 178.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -67.29 -37.06 82.77 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 119.117 -1.033 . . . . 52.53 110.792 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.34 -45.81 92.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 C-N-CA 120.099 -0.64 . . . . 27.76 110.338 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.78 -44.3 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 118.901 -1.12 . . . . 29.07 111.194 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.09 -48.98 79.45 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.576 -0.702 . . . . 35.93 111.905 -179.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.4 -38.47 91.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 119.178 -1.009 . . . . 25.92 111.791 179.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.08 -37.67 88.12 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 118.265 -1.374 . . . . 23.41 111.126 176.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -62.57 -40.33 96.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 119.929 -0.708 . . . . 36.61 112.541 175.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.65 -37.19 85.4 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.959 -1.088 . . . . 27.61 111.569 173.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.7 -41.72 93.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 C-N-CA 120.139 -0.624 . . . . 20.83 110.38 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 t -56.68 -47.74 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.761 -0.587 . . . . 23.67 111.063 173.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.47 -40.13 96.31 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.534 -0.729 . . . . 24.16 111.452 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.77 -41.03 88.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 120.28 -0.568 . . . . 28.62 112.072 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 72.2 mt -66.47 -37.14 84.47 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.182 -0.607 . . . . 21.05 111.009 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 tp -56.05 -46.69 78.83 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.259 -0.576 . . . . 32.52 111.155 170.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.71 87.21 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 119.589 -0.845 . . . . 22.8 110.943 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.82 -43.3 98.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 120.038 -0.665 . . . . 23.92 111.051 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.66 -47.54 85.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 121.501 -0.749 . . . . 26.54 110.184 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -66.34 -37.83 86.24 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 117.314 -1.754 . . . . 39.33 111.573 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.2 -40.44 97.49 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.334 -0.546 . . . . 36.95 111.097 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' LEU . . . . . 0.807 HD21 ' H81' ' D' ' 101' ' ' C8E . 96.3 mt -69.02 -41.05 78.26 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 119.112 -1.035 . . . . 37.9 110.869 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 tpt85 -61.56 -34.42 75.54 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.148 -1.021 . . . . 74.53 111.178 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.04 80.26 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 114.286 0.475 . . . . 65.64 114.286 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 122.678 -0.307 . . . . 61.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 51.3 t0 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 108.752 -0.833 . . . . 90.54 108.752 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 41.6 m -57.95 -43.89 86.64 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.697 -0.801 . . . . 67.19 110.967 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' LEU . . . . . 0.515 HD21 ' H81' ' A' ' 101' ' ' C8E . 39.7 mt -61.18 -38.56 86.94 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 118.302 -1.359 . . . . 51.75 111.031 -178.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.93 -37.57 85.18 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.625 -0.83 . . . . 66.76 111.644 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -66.35 -39.3 89.09 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 118.658 -1.217 . . . . 57.9 110.234 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.43 -45.4 98.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 C-N-CA 120.24 -0.584 . . . . 30.61 110.259 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.15 -41.63 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 119.049 -1.06 . . . . 30.45 110.716 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.15 -48.29 80.74 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 119.845 -0.742 . . . . 39.17 111.158 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.86 -36.46 82.37 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.408 -0.517 . . . . 27.25 110.965 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.87 -34.79 78.96 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 118.023 -1.471 . . . . 22.62 110.012 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -64.78 -41.69 95.66 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.822 -0.751 . . . . 41.55 110.941 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.17 -39.17 85.5 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.605 -0.438 . . . . 30.0 111.027 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.45 -41.07 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 122.057 -0.402 . . . . 22.44 110.185 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 70.2 t -55.99 -51.7 58.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 C-N-CA 120.425 -0.51 . . . . 23.33 110.848 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.38 -38.4 80.4 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 119.413 -0.915 . . . . 28.79 110.314 -178.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.43 -37.65 80.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 117.841 -1.544 . . . . 26.13 111.638 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.56 -31.09 67.99 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 118.658 -1.217 . . . . 23.16 110.748 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.0 -42.43 99.85 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 118.814 -1.154 . . . . 33.24 110.291 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.51 88.17 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.396 -0.522 . . . . 24.91 111.303 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -63.86 -44.91 98.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.763 0 CA-C-O 120.952 0.406 . . . . 26.27 111.717 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.52 -43.44 78.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 121.618 -0.676 . . . . 29.21 110.761 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -67.44 -35.02 78.4 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 122.015 -0.428 . . . . 58.68 111.121 -177.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.07 -32.82 67.41 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 119.936 -0.706 . . . . 41.0 110.927 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.49 -34.95 70.61 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 118.535 -1.266 . . . . 62.07 111.381 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -68.17 -51.67 43.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.461 -0.496 . . . . 96.69 111.255 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.8 -9.82 12.48 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.93 -0.468 . . . . 133.56 111.93 -175.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 O-C-N 122.916 -0.167 . . . . 132.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 121.492 0.663 . . . . 91.59 111.753 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -62.92 -40.21 96.92 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.417 -0.81 . . . . 59.33 110.632 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 3' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.92 -40.26 94.87 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 119.531 -0.868 . . . . 52.94 111.479 -176.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -68.31 -33.66 74.72 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.823 -0.751 . . . . 74.56 111.986 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 5' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -65.79 -39.62 91.14 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.644 -0.822 . . . . 44.49 111.104 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 6' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.91 -50.97 77.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.525 -0.47 . . . . 31.24 110.784 -178.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.81 -43.91 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.491 0.662 . . . . 37.67 111.56 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.15 -44.41 96.67 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 120.959 -1.088 . . . . 45.32 112.113 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 9' ' ' LEU . . . . . . . . . . . . . 58.0 mt -69.68 -35.11 74.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 118.675 -1.21 . . . . 29.71 110.673 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 10' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.13 -37.46 87.53 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 118.793 -1.163 . . . . 23.67 110.703 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -63.39 -41.74 98.79 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 120.069 -0.652 . . . . 46.55 111.062 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 12' ' ' LEU . . . . . . . . . . . . . 51.9 mt -59.71 -41.14 90.15 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 121.698 -0.626 . . . . 32.96 111.509 172.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.43 -41.1 90.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 119.691 -0.803 . . . . 25.58 110.126 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.73 -47.36 93.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 121.49 0.662 . . . . 28.93 110.297 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.81 -39.59 89.56 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 119.88 -0.728 . . . . 40.22 111.406 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -69.37 -35.32 75.72 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 119.467 -0.893 . . . . 28.09 110.798 -178.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 81.9 mt -72.49 -30.44 64.53 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.149 -0.969 . . . . 23.99 110.12 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 18' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.48 -39.02 81.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.171 -0.612 . . . . 37.56 110.301 176.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.74 89.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.919 0.39 . . . . 31.31 111.27 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 68.5 mt -67.09 -42.12 87.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 121.947 -0.471 . . . . 28.72 110.919 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.54 -45.93 93.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 119.143 -1.023 . . . . 34.29 110.249 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -58.78 -43.25 90.41 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.109 0.48 . . . . 56.88 110.67 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 23' ' ' LEU . . . . . 0.559 HD22 ' HG2' ' J' ' 25' ' ' ARG . 57.4 mt -64.94 -41.57 95.39 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.748 -0.595 . . . . 52.4 112.532 179.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.14 -36.02 82.02 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 120.508 -0.477 . . . . 54.53 111.97 -175.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 25' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -73.76 -9.23 58.45 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.739 0.644 . . . . 84.19 112.739 173.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.46 107.85 1.03 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 118.59 0.632 . . . . 105.86 113.508 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.001 0 O-C-N 123.215 0.009 . . . . 106.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 . . . . . 0 C--O 1.238 0.473 0 N-CA-C 109.163 -0.68 . . . . 93.76 109.163 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -65.88 -36.21 82.79 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 119.985 -0.686 . . . . 62.23 111.352 -176.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 3' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' G' ' 3' ' ' LEU . 4.2 mt -56.76 -47.59 79.78 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 118.294 -1.363 . . . . 61.85 109.125 -179.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -62.04 -40.49 95.91 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.522 -0.871 . . . . 71.76 111.671 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 5' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -61.47 -36.03 79.29 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.006 -1.077 . . . . 63.26 112.082 173.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 6' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.42 -43.71 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 119.899 -0.72 . . . . 34.29 110.444 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.19 -45.8 88.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 121.786 -0.571 . . . . 32.54 110.77 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 8' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.21 -48.75 80.06 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 121.608 -0.683 . . . . 36.56 112.002 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 9' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.32 -39.03 93.42 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.399 -0.92 . . . . 36.4 112.093 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.64 -40.74 93.08 Favored 'General case' 0 C--O 1.25 1.105 0 C-N-CA 118.83 -1.148 . . . . 22.75 111.281 175.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -57.34 -46.14 83.6 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 116.129 -0.487 . . . . 39.82 111.216 175.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.93 -36.96 82.94 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 119.885 -0.726 . . . . 29.36 111.243 174.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 13' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.04 -43.89 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 119.688 -0.805 . . . . 23.92 110.379 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.65 -47.08 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.331 0.586 . . . . 24.97 109.423 176.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 15' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.28 -42.33 95.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.397 -0.921 . . . . 45.54 110.437 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.41 -33.53 69.53 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 119.788 -0.765 . . . . 27.9 110.81 -175.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 55.9 mt -70.64 -36.59 73.49 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 118.873 -1.131 . . . . 25.39 109.595 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.93 -42.49 94.06 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.629 -0.26 . . . . 36.56 111.163 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.24 81.93 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 122.369 0.268 . . . . 31.04 111.538 172.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 20' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.26 -43.66 98.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 120.211 -0.596 . . . . 30.96 111.351 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -58.09 -46.28 88.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 O-C-N 120.803 -1.186 . . . . 36.91 109.968 178.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -57.48 -46.2 83.98 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.195 0.521 . . . . 58.58 111.309 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -31.56 72.6 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.213 0.449 . . . . 44.35 112.213 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -85.36 -0.93 56.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.09 1.144 . . . . 61.21 114.09 176.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 tpt85 -116.55 -57.33 2.2 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.534 1.061 . . . . 92.42 111.94 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.38 26.45 1.54 Allowed Glycine 0 C--N 1.331 0.282 0 CA-C-N 118.787 0.721 . . . . 124.47 114.797 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 123.027 -0.102 . . . . 126.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.238 0.493 0 N-CA-C 111.825 0.306 . . . . 79.79 111.825 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -58.41 -40.37 82.27 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.309 0.485 . . . . 48.31 112.309 -174.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.42 -35.13 78.66 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 117.5 -1.68 . . . . 55.04 111.243 -174.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -62.73 -41.05 98.98 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 119.698 -0.801 . . . . 67.4 110.225 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 5' ' ' TRP . . . . . 0.917 ' HE1' H202 ' H' ' 102' ' ' C8E . 70.6 m95 -67.49 -37.65 83.18 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 119.043 -1.063 . . . . 44.76 110.845 -179.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 6' ' ' ILE . . . . . . . . . . . . . 52.9 mt -63.32 -43.91 98.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.33 -0.548 . . . . 34.78 110.929 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.6 -44.45 93.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.68 -0.808 . . . . 31.37 110.26 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 8' ' ' PHE . . . . . 0.525 ' HE1' ' H72' ' H' ' 102' ' ' C8E . 40.6 t80 -59.15 -47.28 85.87 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.037 0.446 . . . . 39.63 111.777 -179.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.28 -34.87 78.31 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 119.874 -0.73 . . . . 25.86 111.837 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.77 -40.05 91.62 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 118.844 -1.142 . . . . 26.31 110.31 176.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 11' ' ' PHE . . . . . 0.447 ' HB2' ' H13' ' H' ' 102' ' ' C8E . 65.8 t80 -60.43 -44.88 95.34 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.89 0.33 . . . . 34.94 111.89 175.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 12' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.16 -35.76 74.08 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 120.082 -0.647 . . . . 29.28 111.85 173.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 13' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.94 -40.95 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 118.698 -1.201 . . . . 22.15 110.667 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.34 -44.5 75.71 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 CA-C-O 120.966 0.412 . . . . 26.29 111.382 173.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 15' ' ' LEU . . . . . 0.556 HD22 HD22 ' C' ' 15' ' ' LEU . 81.5 mt -68.59 -39.35 80.96 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.583 -0.698 . . . . 32.1 111.08 -177.097 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 16' ' ' LEU . . . . . . . . . . . . . 63.7 mt -69.72 -37.88 76.7 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 119.367 -0.933 . . . . 29.35 111.002 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -65.95 -38.17 87.93 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 118.933 -1.107 . . . . 25.5 111.766 174.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 18' ' ' LEU . . . . . . . . . . . . . 32.7 tp -57.94 -40.89 81.61 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.821 -0.751 . . . . 27.33 111.137 173.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.01 -44.11 97.9 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.007 -0.433 . . . . 29.47 110.865 174.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 20' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.1 -41.58 92.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 119.86 -0.736 . . . . 28.3 111.529 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.35 -46.88 85.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.66 -0.65 . . . . 29.81 110.441 176.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -67.84 -39.52 83.84 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 117.896 -1.522 . . . . 53.26 110.908 -176.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 23' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' H' ' 27' ' ' NH2 . 52.0 mt -61.67 -43.14 99.42 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.04 0.385 . . . . 39.73 112.04 177.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 24' ' ' LEU . . . . . 0.458 HD11 ' H71' ' G' ' 103' ' ' C8E . 1.7 mp -62.92 -48.78 77.48 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.122 0.487 . . . . 44.45 111.211 176.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 tpt85 -64.58 -33.95 77.11 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.287 -0.565 . . . . 80.1 111.715 -174.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.34 -40.36 2.42 Favored Glycine 0 C--O 1.239 0.426 0 CA-C-N 118.107 0.412 . . . . 81.83 113.502 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 27' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' H' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.741 -0.229 . . . . 89.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 1' ' ' ASP . . . . . 0.554 ' HB3' ' HE2' ' I' ' 4' ' ' LYS . 42.5 t0 . . . . . 0 C--O 1.242 0.677 0 CA-C-O 121.598 0.713 . . . . 84.36 111.558 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -61.68 -42.29 98.72 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.507 -0.77 . . . . 62.64 111.304 -179.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 3' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.48 -35.03 78.06 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 118.869 -1.132 . . . . 53.47 111.133 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 4' ' ' LYS . . . . . 0.554 ' HE2' ' HB3' ' I' ' 1' ' ' ASP . 45.6 mtmt -68.29 -35.51 77.96 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 118.529 -1.268 . . . . 76.59 110.696 179.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 5' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -64.91 -39.1 93.0 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 119.743 -0.783 . . . . 62.23 110.504 175.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.05 -44.08 99.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 119.421 -0.912 . . . . 32.29 109.644 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 7' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.14 -47.1 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 C-N-CA 121.061 -0.256 . . . . 35.56 110.521 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 8' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.24 -46.0 91.31 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 120.869 0.366 . . . . 46.61 111.526 -177.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 9' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.23 -41.21 94.62 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.008 -0.677 . . . . 32.54 111.358 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 10' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.8 -33.93 76.78 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 117.98 -1.488 . . . . 23.76 112.242 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -63.29 -40.87 98.58 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.191 -1.004 . . . . 40.51 111.238 174.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 12' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.31 -37.24 86.49 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.294 -0.879 . . . . 30.2 110.616 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 13' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.33 -41.12 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 119.345 -0.942 . . . . 25.68 110.45 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 14' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.8 -49.85 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.646 -0.659 . . . . 25.34 110.741 172.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.64 -38.5 85.02 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 121.819 -0.551 . . . . 33.68 112.415 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.73 -37.31 73.48 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.168 -0.613 . . . . 27.84 111.505 -178.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.97 -34.84 73.91 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.223 -0.591 . . . . 25.12 110.592 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 tp -59.56 -45.0 93.09 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 119.544 -0.862 . . . . 26.85 110.751 173.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.66 79.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 119.713 -0.795 . . . . 26.84 110.376 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 20' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.71 -42.03 85.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 119.661 -0.816 . . . . 28.26 110.927 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.78 -46.09 79.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 CA-C-O 121.404 0.621 . . . . 30.46 110.445 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 22' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -69.84 -37.28 76.13 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 113.61 -3.236 . . . . 41.47 112.633 -175.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.27 -33.95 77.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.598 1.09 . . . . 40.51 111.621 164.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 24' ' ' LEU . . . . . . . . . . . . . 47.8 mt -74.94 -47.6 28.82 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 118.217 0.462 . . . . 62.75 111.219 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -62.38 1.84 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.044 0.449 . . . . 94.66 110.805 176.134 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.49 -36.89 1.07 Allowed Glycine 0 N--CA 1.45 -0.432 0 O-C-N 121.933 -0.479 . . . . 123.86 113.65 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 O-C-N 123.004 -0.115 . . . . 125.71 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 t0 . . . . . 0 C--O 1.235 0.333 0 N-CA-C 108.774 -0.824 . . . . 89.06 108.774 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -58.74 -40.32 83.46 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.173 -0.611 . . . . 66.72 111.295 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.21 -47.39 81.41 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.433 -0.907 . . . . 55.28 111.134 -177.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 4' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -61.28 -39.01 88.82 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.54 -0.864 . . . . 79.35 111.17 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 5' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -65.53 -35.4 80.74 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 119.756 -0.778 . . . . 49.62 111.685 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 6' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.75 -47.34 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 119.572 -0.851 . . . . 31.73 110.57 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -55.79 -47.8 78.98 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 O-C-N 121.247 -0.908 . . . . 35.28 111.001 176.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.24 -46.53 88.44 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 120.359 -0.537 . . . . 35.71 111.552 -177.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 9' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.89 -38.58 89.14 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 119.496 -0.882 . . . . 30.24 111.103 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 10' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.1 -39.31 89.47 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 119.758 -0.777 . . . . 23.03 110.845 174.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.61 -42.58 99.66 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.566 -0.709 . . . . 45.73 110.948 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.02 -41.34 96.37 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 120.305 -0.558 . . . . 28.26 111.726 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 13' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.21 -43.79 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.343 -0.848 . . . . 24.85 110.656 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -55.64 -50.34 67.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 O-C-N 121.623 -0.673 . . . . 26.39 111.223 174.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -59.71 -40.11 86.87 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.613 -0.68 . . . . 36.39 111.278 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.71 -36.07 75.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 120.294 -0.562 . . . . 33.38 111.904 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.49 -35.77 68.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 O-C-N 120.932 -1.105 . . . . 28.37 111.662 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 18' ' ' LEU . . . . . . . . . . . . . 43.0 mt -57.85 -41.13 81.73 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.588 -0.845 . . . . 38.77 110.69 169.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.72 83.94 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 118.328 -1.349 . . . . 30.39 111.003 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 20' ' ' ILE . . . . . . . . . . . . . 39.8 mt -66.77 -39.98 84.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 C-N-CA 119.197 -1.001 . . . . 33.03 109.913 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.42 -38.18 81.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 C-N-CA 119.392 -0.923 . . . . 39.05 109.827 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 22' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.58 -40.75 89.1 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.104 -1.039 . . . . 56.62 110.908 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.29 -32.84 74.5 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 120.325 -0.55 . . . . 48.81 111.636 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 24' ' ' LEU . . . . . 0.483 HD21 ' H81' ' G' ' 103' ' ' C8E . 96.7 mt -70.37 -42.71 71.41 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.368 -0.933 . . . . 69.35 111.416 -178.193 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 25' ' ' ARG . . . . . 0.559 ' HG2' HD22 ' F' ' 23' ' ' LEU . 2.2 mmm180 -107.6 -65.75 1.08 Allowed 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 117.678 -1.154 . . . . 99.14 111.336 -178.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.17 -28.56 70.9 Favored Glycine 0 C--N 1.308 -0.973 0 N-CA-C 118.552 2.181 . . . . 99.78 118.552 -168.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.058 0 CA-C-N 116.932 0.366 . . . . 95.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 1' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--O 1.224 -0.263 0 CA-C-O 120.761 0.315 . . . . 92.57 111.156 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 2' ' ' SER . . . . . . . . . . . . . 10.4 m -67.89 -37.16 81.4 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.79 -0.764 . . . . 69.58 111.338 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 3' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' K' ' 3' ' ' LEU . 13.5 mt -64.57 -41.51 96.24 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.399 -0.52 . . . . 64.43 111.739 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -69.36 -32.33 71.32 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 117.822 -1.551 . . . . 86.65 111.035 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 5' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -64.31 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 119.235 -0.986 . . . . 82.41 111.167 172.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 6' ' ' ILE . . . . . . . . . . . . . 94.6 mt -66.16 -47.27 85.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-O 121.173 0.511 . . . . 38.57 110.608 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 7' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.55 -46.06 78.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.04 -1.064 . . . . 45.79 109.94 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 8' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -65.78 -43.57 88.4 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 119.978 -0.689 . . . . 53.72 112.763 -175.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -66.04 -35.67 81.19 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.363 -0.836 . . . . 32.09 111.703 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 10' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.0 -38.39 88.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 118.89 -1.124 . . . . 31.55 110.545 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.0 -48.46 73.32 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.495 0.664 . . . . 52.38 111.231 172.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.19 -39.09 91.55 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 119.079 -1.048 . . . . 42.07 110.821 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mt -62.48 -41.27 91.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 C-N-CA 119.307 -0.957 . . . . 25.36 110.43 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.59 -51.22 74.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.731 0.301 . . . . 28.61 110.873 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -56.55 -40.48 75.22 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 118.735 -1.186 . . . . 36.22 111.445 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.75 -37.4 73.43 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 121.213 -0.929 . . . . 30.08 112.242 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.5 -37.13 86.11 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 119.668 -0.813 . . . . 27.03 111.756 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 18' ' ' LEU . . . . . . . . . . . . . 38.5 mt -58.46 -39.95 81.29 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 119.737 -0.785 . . . . 35.45 111.743 171.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.32 96.17 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.75 -0.78 . . . . 27.41 110.813 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 20' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.63 -45.42 84.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-O 121.343 0.592 . . . . 28.3 110.37 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.82 -44.86 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.069 -1.053 . . . . 33.03 109.706 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 22' ' ' PHE . . . . . 0.451 ' HB2' ' H61' ' A' ' 102' ' ' C8E . 33.0 t80 -60.03 -48.16 82.88 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.928 -0.709 . . . . 52.84 111.388 179.897 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 23' ' ' LEU . . . . . . . . . . . . . 48.7 mt -60.28 -44.04 95.71 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 122.057 -0.402 . . . . 38.12 111.587 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 24' ' ' LEU . . . . . 0.755 HD21 ' H82' ' M' ' 101' ' ' C8E . 82.6 mt -63.7 -31.72 72.98 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 118.865 -1.134 . . . . 42.21 111.818 179.491 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -69.15 -26.04 64.68 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.713 -0.795 . . . . 79.1 112.401 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.62 145.8 6.88 Favored Glycine 0 C--O 1.259 1.707 0 CA-C-O 117.027 -1.985 . . . . 107.74 110.484 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 121.5 2.65 . . . . 113.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 1' ' ' ASP . . . . . 0.411 ' OD1' ' HD3' ' L' ' 4' ' ' LYS . 13.1 p-10 . . . . . 0 CA--C 1.523 -0.077 0 CA-C-O 120.892 0.377 . . . . 155.08 111.418 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -84.8 -26.89 27.2 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.96 -0.564 . . . . 108.8 112.501 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 3' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.18 -40.27 94.03 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 118.503 0.592 . . . . 67.46 111.536 -176.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 4' ' ' LYS . . . . . 0.411 ' HD3' ' OD1' ' L' ' 1' ' ' ASP . 26.6 mtpt -69.9 -35.68 74.8 Favored 'General case' 0 CA--C 1.509 -0.596 0 C-N-CA 119.4 -0.92 . . . . 85.42 111.464 179.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 5' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -58.18 -38.58 76.95 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 119.736 -0.785 . . . . 63.58 109.864 172.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 6' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.51 -48.08 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 121.239 0.543 . . . . 43.29 111.091 -174.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 7' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.5 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 O-C-N 121.674 -0.641 . . . . 57.24 110.578 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 8' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -65.97 -41.02 91.71 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 121.698 -0.626 . . . . 58.8 111.85 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.04 -37.22 78.46 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 118.306 -1.358 . . . . 35.12 110.916 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 10' ' ' LEU . . . . . . . . . . . . . 31.9 mt -66.64 -40.94 88.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.377 0.608 . . . . 31.05 110.801 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.51 -45.66 77.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.596 -0.729 . . . . 49.36 111.492 170.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.05 -38.62 91.73 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 119.112 -1.035 . . . . 47.27 110.555 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 13' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.07 -40.24 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.855 -0.528 . . . . 25.96 110.69 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 14' ' ' VAL . . . . . . . . . . . . . 46.8 t -61.22 -45.79 97.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 119.615 -0.834 . . . . 30.8 110.965 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.51 -36.71 81.3 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.474 -0.89 . . . . 36.6 111.328 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 16' ' ' LEU . . . . . . . . . . . . . 86.7 mt -74.17 -37.53 63.94 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 118.958 -1.097 . . . . 34.83 111.333 -178.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.94 -34.03 77.44 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 118.968 -1.093 . . . . 23.74 110.523 175.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 18' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.54 -41.91 95.46 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.076 -1.05 . . . . 31.74 110.603 174.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.22 98.42 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 110.31 -0.256 . . . . 28.84 110.31 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 20' ' ' ILE . . . . . . . . . . . . . 57.7 mt -63.06 -43.62 99.11 Favored 'Isoleucine or valine' 0 C--O 1.247 0.938 0 C-N-CA 120.312 -0.555 . . . . 27.21 111.41 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 21' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.19 -42.38 93.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.813 0 C-N-CA 118.245 -1.382 . . . . 35.49 109.804 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 22' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -61.97 -46.09 90.8 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.353 -0.539 . . . . 58.09 110.668 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -59.92 -40.62 89.49 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.792 0.33 . . . . 45.74 111.476 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 24' ' ' LEU . . . . . . . . . . . . . 77.8 mt -71.19 -28.44 64.23 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.365 -0.934 . . . . 46.4 112.364 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 25' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -75.43 -21.5 58.12 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.57 -0.852 . . . . 85.98 112.433 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.95 147.62 7.28 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 115.379 0.912 . . . . 91.12 115.379 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 O-C-N 122.828 -0.219 . . . . 93.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 1' ' ' ASP . . . . . . . . . . . . . 40.9 t0 . . . . . 0 C--O 1.233 0.226 0 N-CA-C 109.565 -0.532 . . . . 110.12 109.565 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -77.99 -46.35 21.29 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 119.813 -0.755 . . . . 87.43 111.366 178.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 3' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' N' ' 2' ' ' SER . 11.3 mt -56.1 -46.71 79.0 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.835 0.35 . . . . 73.87 111.293 -178.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -66.11 -33.37 75.64 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 120.331 -0.547 . . . . 94.6 111.716 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -60.31 -37.26 80.03 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 118.656 -1.217 . . . . 76.97 110.217 168.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 6' ' ' ILE . . . . . . . . . . . . . 87.7 mt -72.21 -46.86 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 120.066 -0.654 . . . . 41.42 110.599 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 t -62.16 -43.56 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 121.263 -0.898 . . . . 46.04 111.248 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 8' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.8 -44.89 96.26 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.557 -0.715 . . . . 59.44 111.821 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 mt -70.05 -37.18 75.47 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 118.649 -1.22 . . . . 40.54 111.721 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 10' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.73 -35.6 80.29 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 117.456 -1.698 . . . . 31.32 110.737 174.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -62.75 -43.63 98.31 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 120.452 -0.499 . . . . 53.14 111.205 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 mt -62.67 -36.99 84.68 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.855 -0.528 . . . . 44.86 111.793 175.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.45 -39.72 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 O-C-N 121.477 -0.764 . . . . 26.45 109.944 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.83 -44.57 98.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 119.586 -0.846 . . . . 33.47 109.907 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.95 -40.3 88.53 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 120.334 -0.546 . . . . 47.64 110.874 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 16' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.88 -37.68 73.03 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 119.962 -0.695 . . . . 34.64 111.338 -177.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.37 -36.38 81.24 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.084 -1.046 . . . . 26.4 111.327 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.65 -42.82 84.24 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.782 -0.767 . . . . 40.34 111.081 171.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.81 92.42 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.815 0.34 . . . . 31.51 111.084 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mt -66.27 -43.19 91.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.93 -0.708 . . . . 30.05 111.157 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.25 -44.26 78.95 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 CA-C-O 121.267 0.556 . . . . 34.49 110.478 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 22' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -62.16 -43.32 99.09 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 120.949 0.404 . . . . 59.16 111.505 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 23' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.01 -39.58 87.1 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.66 -0.246 . . . . 43.35 111.081 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 24' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.93 -26.97 67.84 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.434 -0.907 . . . . 45.88 111.662 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -88.13 -6.36 57.93 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.716 1.006 . . . . 98.35 113.716 171.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.96 27.99 9.77 Favored Glycine 0 CA--C 1.536 1.364 0 N-CA-C 118.268 2.067 . . . . 88.12 118.268 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 O-C-N 122.024 -0.691 . . . . 78.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 1' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 121.572 0.701 . . . . 94.35 111.384 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 2' ' ' SER . . . . . 0.412 ' HB2' HD13 ' M' ' 3' ' ' LEU . 70.8 m -72.16 -29.25 63.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.586 -0.734 . . . . 78.67 112.364 -172.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' N' N ' 3' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.71 -39.68 94.9 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 118.265 0.484 . . . . 61.76 111.471 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 4' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -61.55 -38.75 88.62 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.237 -0.585 . . . . 81.13 110.701 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 5' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -67.41 -40.09 85.54 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.379 -0.529 . . . . 75.56 111.349 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.07 -46.12 96.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.579 0.705 . . . . 40.61 109.776 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 7' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.63 -43.44 94.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 119.532 -0.867 . . . . 37.46 110.416 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 8' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.91 -48.8 80.16 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.57 0.7 . . . . 51.15 111.33 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 9' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.58 -40.26 92.54 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.017 -0.673 . . . . 32.0 111.696 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 10' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.01 -34.8 78.34 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 119.133 -1.027 . . . . 26.32 111.119 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -66.67 -40.22 88.49 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.554 -0.458 . . . . 45.67 111.095 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 12' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.74 -38.45 91.17 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 119.366 -0.933 . . . . 38.99 111.191 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 13' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.85 -44.36 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 24.82 111.169 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.41 -46.21 81.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 C-N-CA 120.57 -0.452 . . . . 25.46 110.397 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 15' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.49 -36.94 85.34 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 118.263 -1.375 . . . . 32.19 111.037 -177.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 mt -71.75 -38.33 70.41 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 119.809 -0.757 . . . . 27.1 111.819 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.54 -36.03 81.68 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 118.111 -1.436 . . . . 27.88 111.054 176.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 18' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.56 -40.9 98.33 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 119.935 -0.706 . . . . 33.89 109.889 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.7 83.3 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.597 -0.441 . . . . 31.01 110.515 175.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 20' ' ' ILE . . . . . . . . . . . . . 65.3 mt -67.42 -43.85 87.33 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 C-N-CA 119.546 -0.862 . . . . 29.02 110.797 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -53.03 -44.58 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.199 0.523 . . . . 32.15 110.666 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 22' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -71.07 -36.43 72.28 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.014 -1.074 . . . . 50.59 111.024 -177.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 23' ' ' LEU . . . . . . . . . . . . . 30.7 mt -62.3 -38.62 90.11 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 118.811 -1.156 . . . . 48.62 110.394 175.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 24' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.43 -36.84 71.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 118.19 -1.404 . . . . 49.22 111.508 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 25' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -63.08 -49.93 72.55 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.922 0.328 . . . . 81.92 111.46 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.18 -30.38 37.91 Favored Glycine 0 CA--C 1.519 0.343 0 O-C-N 121.911 -0.493 . . . . 107.53 114.208 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.155 0 O-C-N 122.91 -0.17 . . . . 99.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' O' O ' 1' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 . . . . . 0 C--O 1.235 0.337 0 N-CA-C 112.6 0.593 . . . . 108.88 112.6 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' O' O ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -64.86 -35.59 81.61 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.625 -0.716 . . . . 86.74 111.414 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.0 -38.94 92.92 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 119.549 -0.86 . . . . 62.02 110.807 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -61.29 -38.12 85.64 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 120.632 0.253 . . . . 71.58 110.993 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 5' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -70.6 -33.75 71.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.121 -1.032 . . . . 49.13 111.131 178.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 6' ' ' ILE . . . . . . . . . . . . . 47.3 mt -65.2 -44.21 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 119.883 -0.727 . . . . 35.9 110.666 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 7' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.68 -46.82 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 O-C-N 121.507 -0.745 . . . . 36.7 110.62 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 8' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -55.64 -50.03 71.29 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.665 -0.647 . . . . 47.48 111.464 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.55 -37.7 87.14 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 118.872 -1.131 . . . . 27.74 112.215 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 10' ' ' LEU . . . . . . . . . . . . . 58.3 mt -69.36 -34.89 75.27 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 119.357 -0.937 . . . . 27.84 109.747 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.02 -46.51 88.02 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 120.653 0.263 . . . . 44.49 110.689 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -35.23 80.45 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 112.676 0.621 . . . . 42.77 112.676 177.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' O' O ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.9 -41.82 90.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.291 0 C-N-CA 120.27 -0.572 . . . . 25.5 110.313 175.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.13 -46.66 91.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.401 0 CA-C-O 121.275 0.559 . . . . 26.36 111.19 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 15' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.37 -40.47 96.53 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.287 -0.965 . . . . 32.22 112.193 179.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.68 -38.56 83.87 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 119.639 -0.824 . . . . 28.52 112.271 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.64 -35.37 80.8 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 119.505 -0.878 . . . . 26.33 111.149 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.62 -39.89 95.25 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 119.004 -1.078 . . . . 30.23 110.182 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.57 91.57 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 122.176 -0.328 . . . . 27.31 110.549 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 20' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.7 -43.11 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 120.085 -0.646 . . . . 28.77 111.494 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 21' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.78 -46.01 94.08 Favored 'Isoleucine or valine' 0 C--O 1.25 1.126 0 CA-C-O 121.872 0.844 . . . . 32.16 110.02 176.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 22' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -54.91 -46.71 74.9 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.498 -0.774 . . . . 56.28 111.69 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -69.02 -38.62 79.32 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.316 -0.953 . . . . 44.95 111.569 -176.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 24' ' ' LEU . . . . . 0.548 HD21 ' H81' ' M' ' 101' ' ' C8E . 74.9 mt -65.78 -30.59 71.26 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.047 -0.661 . . . . 51.4 112.085 176.572 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' O' O ' 25' ' ' ARG . . . . . 0.785 HH22 H171 ' O' ' 101' ' ' C8E . 5.8 mtt-85 -66.52 -46.42 76.26 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.812 -0.755 . . . . 104.81 110.93 176.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' O' O ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.04 66.33 2.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.28 -0.486 . . . . 150.08 113.235 176.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 O-C-N 122.994 -0.121 . . . . 157.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' C8E . . . . . 0.515 ' H81' HD21 ' E' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' C8E . . . . . 0.665 ' H32' H101 ' B' ' 105' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' SO4 . . . . . 1.294 ' O1 ' ' H13' ' B' ' 104' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' C8E . . . . . 1.294 ' H13' ' O1 ' ' B' ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' C8E . . . . . 0.665 H101 ' H32' ' A' ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' C8E . . . . . 0.807 ' H81' HD21 ' D' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 103' ' ' C8E . . . . . 0.483 ' H81' HD21 ' J' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 102' ' ' C8E . . . . . 0.917 H202 ' HE1' ' H' ' 5' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 103' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 101' ' ' C8E . . . . . 0.755 ' H82' HD21 ' K' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 103' ' ' C8E . . . . . 0.46 H191 H161 ' M' ' 103' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' O' O ' 101' ' ' C8E . . . . . 0.785 H171 HH22 ' O' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.494 ' O ' ' O ' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 203' ' ' HOH . . . . . 0.518 ' O ' H172 ' A' ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' O' O ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' O' O ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' O' O ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' O' O ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.897 0.38 . . . . 87.0 110.106 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -63.83 -40.84 97.55 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.981 -0.688 . . . . 68.82 111.516 -171.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 3' ' ' LEU . 11.3 mt -60.76 -41.6 95.77 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.201 -1.0 . . . . 50.39 111.25 -178.205 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.443 ' HG2' H162 ' A' ' 102' ' ' C8E . 89.6 mttt -62.98 -41.89 99.68 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 119.666 -0.814 . . . . 70.76 110.842 179.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -60.38 -33.94 73.19 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 119.181 -1.008 . . . . 55.97 111.469 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.55 -44.8 93.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 C-N-CA 119.685 -0.806 . . . . 29.05 110.259 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.7 t -57.59 -44.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 O-C-N 121.667 -0.646 . . . . 28.01 110.964 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -62.59 -47.98 81.42 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.967 -0.693 . . . . 32.1 111.19 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.96 -36.71 82.81 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 117.694 -1.602 . . . . 30.36 111.335 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.45 -38.05 82.95 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 117.87 -1.532 . . . . 20.51 110.943 174.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.72 -41.66 98.05 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.956 -0.297 . . . . 38.49 110.986 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.29 -35.53 80.66 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.201 -0.937 . . . . 28.57 111.889 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.23 -38.8 83.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 119.845 -0.742 . . . . 20.62 110.83 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.95 -47.21 94.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 121.64 -0.662 . . . . 23.54 109.832 174.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.14 -45.06 91.91 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.267 0.556 . . . . 35.27 110.595 -179.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.18 -36.64 83.62 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.618 -0.833 . . . . 29.45 111.81 -177.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.85 -32.48 69.51 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.646 -0.822 . . . . 25.14 111.234 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.41 -39.65 94.25 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.828 -0.545 . . . . 40.85 110.517 174.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.98 97.63 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.243 0.545 . . . . 28.03 111.166 173.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.87 -45.4 98.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 120.901 0.382 . . . . 27.19 110.762 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.0 t -59.31 -41.4 84.02 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-O 121.314 0.578 . . . . 33.91 110.315 179.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -64.1 -47.8 78.63 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.201 -1.0 . . . . 68.07 111.291 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.53 -32.68 71.7 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 119.888 -0.725 . . . . 43.22 111.339 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -73.45 -36.26 65.87 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 121.821 -0.55 . . . . 55.43 111.819 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -69.68 -25.25 63.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 119.099 -1.04 . . . . 93.79 111.52 171.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 201' ' ' HOH . . . 121.7 83.29 0.69 Allowed Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 118.165 0.439 . . . . 106.02 112.248 -177.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.076 0 CA-C-N 116.048 -0.076 . . . . 96.06 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.715 -0.476 . . . . 72.03 109.715 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -67.0 -38.59 86.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.243 -0.89 . . . . 47.59 111.955 -171.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.01 -36.94 85.62 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 119.547 -0.861 . . . . 48.41 110.805 -173.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -70.04 -37.03 75.44 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.305 -0.958 . . . . 74.3 110.594 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -65.63 -37.72 87.37 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 118.947 -1.101 . . . . 43.62 111.478 173.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.98 -43.1 98.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 118.475 -1.29 . . . . 26.83 109.523 -178.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.43 -40.42 86.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 119.274 -0.97 . . . . 29.21 109.784 -178.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -63.09 -45.63 91.18 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 120.691 -0.403 . . . . 38.4 110.232 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.27 -34.16 72.46 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 118.768 -1.173 . . . . 24.26 111.115 -177.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 53.6 mt -64.49 -38.09 89.8 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 118.506 -1.278 . . . . 22.17 109.18 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -64.05 -41.64 97.31 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.515 -0.874 . . . . 31.52 111.679 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.0 -36.97 78.35 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 118.996 -1.082 . . . . 24.62 111.336 173.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.78 -43.1 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 120.218 -0.593 . . . . 20.53 110.489 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.9 t -53.81 -49.51 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 121.995 -0.44 . . . . 22.81 110.694 172.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.77 -36.61 84.44 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 119.315 -0.954 . . . . 26.33 110.974 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -73.09 -34.34 66.13 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 118.348 -1.341 . . . . 27.57 110.96 -176.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.44 -38.24 77.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.056 -0.658 . . . . 19.97 111.481 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.48 -45.59 80.86 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.933 0.397 . . . . 30.85 111.407 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.86 86.79 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 122.118 -0.364 . . . . 25.08 111.588 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.64 -44.6 96.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 118.079 -1.448 . . . . 24.13 110.552 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 40.7 t -55.12 -44.2 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 121.175 -0.953 . . . . 29.48 110.402 177.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -68.83 -37.35 79.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.978 0.894 . . . . 42.77 111.377 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -65.16 -42.92 93.29 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 121.753 -0.592 . . . . 36.47 111.526 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.96 -41.81 99.64 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.68 -0.408 . . . . 34.98 110.683 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.53 ' HE ' H112 ' H' ' 102' ' ' C8E . 52.7 tpt85 -67.18 -27.69 67.49 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 120.737 -0.385 . . . . 54.14 111.203 -176.726 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.04 -11.95 85.1 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-O 121.163 0.313 . . . . 64.05 113.811 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.031 0 O-C-N 122.88 -0.188 . . . . 67.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 120.812 0.339 . . . . 69.52 111.452 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -59.08 -37.36 76.91 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.954 -0.566 . . . . 56.4 111.68 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.65 -35.81 77.75 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 119.31 -0.956 . . . . 46.22 110.63 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -59.07 -42.28 90.0 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.093 -0.643 . . . . 70.67 111.053 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -64.77 -40.25 94.96 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.55 0.69 . . . . 46.68 111.176 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.83 -46.89 93.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 C-N-CA 120.305 -0.558 . . . . 24.32 110.325 -178.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.6 t -58.67 -46.42 90.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.398 0.618 . . . . 30.09 111.093 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -59.01 -48.32 82.01 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.453 0.644 . . . . 33.3 111.691 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.99 -39.63 93.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 118.896 -1.121 . . . . 26.81 111.595 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.23 -40.87 91.73 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 119.256 -0.978 . . . . 21.83 111.115 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.14 -42.96 99.49 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.173 -0.611 . . . . 32.73 111.752 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.51 -37.08 79.99 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 118.41 -1.316 . . . . 30.58 111.966 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 70.0 mt -63.9 -43.32 97.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 120.172 -0.611 . . . . 24.78 110.06 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.86 -48.01 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 121.636 0.731 . . . . 21.84 111.134 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.556 HD22 HD22 ' H' ' 15' ' ' LEU . 37.4 mt -61.27 -41.8 97.56 Favored 'General case' 0 C--O 1.188 -2.166 0 O-C-N 121.082 -1.012 . . . . 25.0 110.597 -178.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 58.4 mt -69.99 -36.48 75.2 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 119.0 -1.08 . . . . 27.91 111.377 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.2 -36.6 84.69 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 119.009 -1.077 . . . . 22.55 111.82 173.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.17 -43.58 98.65 Favored 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.19 -0.944 . . . . 25.61 110.89 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.84 -42.69 89.92 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.672 -0.642 . . . . 21.68 110.85 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.69 -46.32 89.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 C-N-CA 120.638 -0.425 . . . . 25.61 110.103 -179.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 t -55.67 -47.66 78.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.296 0 CA-C-O 121.463 0.649 . . . . 27.17 109.851 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' PHE . . . . . 0.472 ' HB3' ' H22' ' H' ' 102' ' ' C8E . 3.7 m-85 -63.03 -40.35 97.47 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 118.668 -1.213 . . . . 51.23 111.972 -179.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.33 -40.79 94.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.66 -0.816 . . . . 35.18 111.586 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.37 -42.66 98.87 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.653 -0.819 . . . . 34.85 110.598 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 tpt85 -68.26 -35.22 77.55 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.24 -0.584 . . . . 54.93 111.001 -174.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.1 -12.89 61.23 Favored Glycine 0 C--N 1.324 -0.108 0 N-CA-C 115.914 1.126 . . . . 78.49 115.914 -175.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 122.976 -0.132 . . . . 95.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' D' ' 4' ' ' LYS . 2.0 p-10 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.867 0.842 . . . . 69.36 111.732 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -62.2 -39.08 91.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.207 -0.997 . . . . 55.16 110.843 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.9 -32.51 74.05 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 117.198 -1.801 . . . . 48.41 110.745 -173.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' D' ' 1' ' ' ASP . 40.9 pttt -65.68 -38.25 88.75 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 119.115 -1.034 . . . . 65.88 110.693 178.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -67.29 -37.06 82.77 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 119.117 -1.033 . . . . 52.53 110.792 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.34 -45.81 92.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 C-N-CA 120.099 -0.64 . . . . 27.76 110.338 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.78 -44.3 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 118.901 -1.12 . . . . 29.07 111.194 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.09 -48.98 79.45 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.576 -0.702 . . . . 35.93 111.905 -179.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.4 -38.47 91.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 119.178 -1.009 . . . . 25.92 111.791 179.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.08 -37.67 88.12 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 118.265 -1.374 . . . . 23.41 111.126 176.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -62.57 -40.33 96.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 119.929 -0.708 . . . . 36.61 112.541 175.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.65 -37.19 85.4 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.959 -1.088 . . . . 27.61 111.569 173.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.7 -41.72 93.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 C-N-CA 120.139 -0.624 . . . . 20.83 110.38 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 t -56.68 -47.74 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.761 -0.587 . . . . 23.67 111.063 173.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.47 -40.13 96.31 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.534 -0.729 . . . . 24.16 111.452 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.77 -41.03 88.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 120.28 -0.568 . . . . 28.62 112.072 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 72.2 mt -66.47 -37.14 84.47 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.182 -0.607 . . . . 21.05 111.009 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 tp -56.05 -46.69 78.83 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.259 -0.576 . . . . 32.52 111.155 170.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.71 87.21 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 119.589 -0.845 . . . . 22.8 110.943 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.82 -43.3 98.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 120.038 -0.665 . . . . 23.92 111.051 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.66 -47.54 85.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 121.501 -0.749 . . . . 26.54 110.184 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -66.34 -37.83 86.24 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 117.314 -1.754 . . . . 39.33 111.573 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.2 -40.44 97.49 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.334 -0.546 . . . . 36.95 111.097 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' LEU . . . . . 0.807 HD21 ' H81' ' D' ' 101' ' ' C8E . 96.3 mt -69.02 -41.05 78.26 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 119.112 -1.035 . . . . 37.9 110.869 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 tpt85 -61.56 -34.42 75.54 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.148 -1.021 . . . . 74.53 111.178 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.04 80.26 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 114.286 0.475 . . . . 65.64 114.286 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 122.678 -0.307 . . . . 61.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 51.3 t0 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 108.752 -0.833 . . . . 90.54 108.752 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 41.6 m -57.95 -43.89 86.64 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.697 -0.801 . . . . 67.19 110.967 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' LEU . . . . . 0.515 HD21 ' H81' ' A' ' 101' ' ' C8E . 39.7 mt -61.18 -38.56 86.94 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 118.302 -1.359 . . . . 51.75 111.031 -178.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.93 -37.57 85.18 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.625 -0.83 . . . . 66.76 111.644 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -66.35 -39.3 89.09 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 118.658 -1.217 . . . . 57.9 110.234 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.43 -45.4 98.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 C-N-CA 120.24 -0.584 . . . . 30.61 110.259 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.15 -41.63 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 119.049 -1.06 . . . . 30.45 110.716 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.15 -48.29 80.74 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 119.845 -0.742 . . . . 39.17 111.158 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.86 -36.46 82.37 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.408 -0.517 . . . . 27.25 110.965 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.87 -34.79 78.96 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 118.023 -1.471 . . . . 22.62 110.012 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -64.78 -41.69 95.66 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.822 -0.751 . . . . 41.55 110.941 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.17 -39.17 85.5 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.605 -0.438 . . . . 30.0 111.027 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.45 -41.07 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 122.057 -0.402 . . . . 22.44 110.185 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 70.2 t -55.99 -51.7 58.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 C-N-CA 120.425 -0.51 . . . . 23.33 110.848 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.38 -38.4 80.4 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 119.413 -0.915 . . . . 28.79 110.314 -178.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.43 -37.65 80.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 117.841 -1.544 . . . . 26.13 111.638 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.56 -31.09 67.99 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 118.658 -1.217 . . . . 23.16 110.748 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.0 -42.43 99.85 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 118.814 -1.154 . . . . 33.24 110.291 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.51 88.17 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.396 -0.522 . . . . 24.91 111.303 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -63.86 -44.91 98.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.763 0 CA-C-O 120.952 0.406 . . . . 26.27 111.717 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.52 -43.44 78.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 121.618 -0.676 . . . . 29.21 110.761 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -67.44 -35.02 78.4 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 122.015 -0.428 . . . . 58.68 111.121 -177.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.07 -32.82 67.41 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 119.936 -0.706 . . . . 41.0 110.927 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.49 -34.95 70.61 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 118.535 -1.266 . . . . 62.07 111.381 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -68.17 -51.67 43.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.461 -0.496 . . . . 96.69 111.255 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.8 -9.82 12.48 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.93 -0.468 . . . . 133.56 111.93 -175.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 O-C-N 122.916 -0.167 . . . . 132.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 121.492 0.663 . . . . 91.59 111.753 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -62.92 -40.21 96.92 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.417 -0.81 . . . . 59.33 110.632 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 3' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.92 -40.26 94.87 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 119.531 -0.868 . . . . 52.94 111.479 -176.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -68.31 -33.66 74.72 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.823 -0.751 . . . . 74.56 111.986 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 5' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -65.79 -39.62 91.14 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.644 -0.822 . . . . 44.49 111.104 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 6' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.91 -50.97 77.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.525 -0.47 . . . . 31.24 110.784 -178.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.81 -43.91 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.491 0.662 . . . . 37.67 111.56 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.15 -44.41 96.67 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 120.959 -1.088 . . . . 45.32 112.113 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 9' ' ' LEU . . . . . . . . . . . . . 58.0 mt -69.68 -35.11 74.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 118.675 -1.21 . . . . 29.71 110.673 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 10' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.13 -37.46 87.53 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 118.793 -1.163 . . . . 23.67 110.703 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -63.39 -41.74 98.79 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 120.069 -0.652 . . . . 46.55 111.062 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 12' ' ' LEU . . . . . . . . . . . . . 51.9 mt -59.71 -41.14 90.15 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 121.698 -0.626 . . . . 32.96 111.509 172.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.43 -41.1 90.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 119.691 -0.803 . . . . 25.58 110.126 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.73 -47.36 93.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 121.49 0.662 . . . . 28.93 110.297 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.81 -39.59 89.56 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 119.88 -0.728 . . . . 40.22 111.406 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -69.37 -35.32 75.72 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 119.467 -0.893 . . . . 28.09 110.798 -178.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 81.9 mt -72.49 -30.44 64.53 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.149 -0.969 . . . . 23.99 110.12 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 18' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.48 -39.02 81.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.171 -0.612 . . . . 37.56 110.301 176.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.74 89.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.919 0.39 . . . . 31.31 111.27 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 68.5 mt -67.09 -42.12 87.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 121.947 -0.471 . . . . 28.72 110.919 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.54 -45.93 93.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 119.143 -1.023 . . . . 34.29 110.249 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -58.78 -43.25 90.41 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.109 0.48 . . . . 56.88 110.67 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 23' ' ' LEU . . . . . 0.559 HD22 ' HG2' ' J' ' 25' ' ' ARG . 57.4 mt -64.94 -41.57 95.39 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.748 -0.595 . . . . 52.4 112.532 179.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.14 -36.02 82.02 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 120.508 -0.477 . . . . 54.53 111.97 -175.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 25' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -73.76 -9.23 58.45 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.739 0.644 . . . . 84.19 112.739 173.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.46 107.85 1.03 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 118.59 0.632 . . . . 105.86 113.508 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.001 0 O-C-N 123.215 0.009 . . . . 106.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 . . . . . 0 C--O 1.238 0.473 0 N-CA-C 109.163 -0.68 . . . . 93.76 109.163 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -65.88 -36.21 82.79 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 119.985 -0.686 . . . . 62.23 111.352 -176.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 3' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' G' ' 3' ' ' LEU . 4.2 mt -56.76 -47.59 79.78 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 118.294 -1.363 . . . . 61.85 109.125 -179.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -62.04 -40.49 95.91 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.522 -0.871 . . . . 71.76 111.671 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 5' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -61.47 -36.03 79.29 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.006 -1.077 . . . . 63.26 112.082 173.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 6' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.42 -43.71 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 119.899 -0.72 . . . . 34.29 110.444 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.19 -45.8 88.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 121.786 -0.571 . . . . 32.54 110.77 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 8' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.21 -48.75 80.06 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 121.608 -0.683 . . . . 36.56 112.002 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 9' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.32 -39.03 93.42 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.399 -0.92 . . . . 36.4 112.093 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.64 -40.74 93.08 Favored 'General case' 0 C--O 1.25 1.105 0 C-N-CA 118.83 -1.148 . . . . 22.75 111.281 175.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -57.34 -46.14 83.6 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 116.129 -0.487 . . . . 39.82 111.216 175.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.93 -36.96 82.94 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 119.885 -0.726 . . . . 29.36 111.243 174.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 13' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.04 -43.89 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 119.688 -0.805 . . . . 23.92 110.379 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.65 -47.08 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.331 0.586 . . . . 24.97 109.423 176.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 15' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.28 -42.33 95.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.397 -0.921 . . . . 45.54 110.437 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.41 -33.53 69.53 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 119.788 -0.765 . . . . 27.9 110.81 -175.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 55.9 mt -70.64 -36.59 73.49 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 118.873 -1.131 . . . . 25.39 109.595 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.93 -42.49 94.06 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.629 -0.26 . . . . 36.56 111.163 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.24 81.93 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 122.369 0.268 . . . . 31.04 111.538 172.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 20' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.26 -43.66 98.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 120.211 -0.596 . . . . 30.96 111.351 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -58.09 -46.28 88.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 O-C-N 120.803 -1.186 . . . . 36.91 109.968 178.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -57.48 -46.2 83.98 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.195 0.521 . . . . 58.58 111.309 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -31.56 72.6 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.213 0.449 . . . . 44.35 112.213 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -85.36 -0.93 56.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.09 1.144 . . . . 61.21 114.09 176.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 tpt85 -116.55 -57.33 2.2 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.534 1.061 . . . . 92.42 111.94 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.38 26.45 1.54 Allowed Glycine 0 C--N 1.331 0.282 0 CA-C-N 118.787 0.721 . . . . 124.47 114.797 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 123.027 -0.102 . . . . 126.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.238 0.493 0 N-CA-C 111.825 0.306 . . . . 79.79 111.825 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -58.41 -40.37 82.27 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.309 0.485 . . . . 48.31 112.309 -174.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.42 -35.13 78.66 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 117.5 -1.68 . . . . 55.04 111.243 -174.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -62.73 -41.05 98.98 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 119.698 -0.801 . . . . 67.4 110.225 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 5' ' ' TRP . . . . . 0.917 ' HE1' H202 ' H' ' 102' ' ' C8E . 70.6 m95 -67.49 -37.65 83.18 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 119.043 -1.063 . . . . 44.76 110.845 -179.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 6' ' ' ILE . . . . . . . . . . . . . 52.9 mt -63.32 -43.91 98.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.33 -0.548 . . . . 34.78 110.929 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.6 -44.45 93.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.68 -0.808 . . . . 31.37 110.26 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 8' ' ' PHE . . . . . 0.525 ' HE1' ' H72' ' H' ' 102' ' ' C8E . 40.6 t80 -59.15 -47.28 85.87 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.037 0.446 . . . . 39.63 111.777 -179.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.28 -34.87 78.31 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 119.874 -0.73 . . . . 25.86 111.837 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.77 -40.05 91.62 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 118.844 -1.142 . . . . 26.31 110.31 176.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 11' ' ' PHE . . . . . 0.447 ' HB2' ' H13' ' H' ' 102' ' ' C8E . 65.8 t80 -60.43 -44.88 95.34 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.89 0.33 . . . . 34.94 111.89 175.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 12' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.16 -35.76 74.08 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 120.082 -0.647 . . . . 29.28 111.85 173.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 13' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.94 -40.95 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 118.698 -1.201 . . . . 22.15 110.667 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.34 -44.5 75.71 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 CA-C-O 120.966 0.412 . . . . 26.29 111.382 173.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.556 HD22 HD22 ' C' ' 15' ' ' LEU . 81.5 mt -68.59 -39.35 80.96 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.583 -0.698 . . . . 32.1 111.08 -177.097 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 16' ' ' LEU . . . . . . . . . . . . . 63.7 mt -69.72 -37.88 76.7 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 119.367 -0.933 . . . . 29.35 111.002 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -65.95 -38.17 87.93 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 118.933 -1.107 . . . . 25.5 111.766 174.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 18' ' ' LEU . . . . . . . . . . . . . 32.7 tp -57.94 -40.89 81.61 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.821 -0.751 . . . . 27.33 111.137 173.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.01 -44.11 97.9 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.007 -0.433 . . . . 29.47 110.865 174.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 20' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.1 -41.58 92.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 119.86 -0.736 . . . . 28.3 111.529 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.35 -46.88 85.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.66 -0.65 . . . . 29.81 110.441 176.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -67.84 -39.52 83.84 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 117.896 -1.522 . . . . 53.26 110.908 -176.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 23' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' H' ' 27' ' ' NH2 . 52.0 mt -61.67 -43.14 99.42 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.04 0.385 . . . . 39.73 112.04 177.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 24' ' ' LEU . . . . . 0.458 HD11 ' H71' ' G' ' 103' ' ' C8E . 1.7 mp -62.92 -48.78 77.48 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.122 0.487 . . . . 44.45 111.211 176.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 tpt85 -64.58 -33.95 77.11 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.287 -0.565 . . . . 80.1 111.715 -174.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.34 -40.36 2.42 Favored Glycine 0 C--O 1.239 0.426 0 CA-C-N 118.107 0.412 . . . . 81.83 113.502 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 27' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' H' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.741 -0.229 . . . . 89.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 1' ' ' ASP . . . . . 0.554 ' HB3' ' HE2' ' I' ' 4' ' ' LYS . 42.5 t0 . . . . . 0 C--O 1.242 0.677 0 CA-C-O 121.598 0.713 . . . . 84.36 111.558 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -61.68 -42.29 98.72 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.507 -0.77 . . . . 62.64 111.304 -179.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 3' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.48 -35.03 78.06 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 118.869 -1.132 . . . . 53.47 111.133 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 4' ' ' LYS . . . . . 0.554 ' HE2' ' HB3' ' I' ' 1' ' ' ASP . 45.6 mtmt -68.29 -35.51 77.96 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 118.529 -1.268 . . . . 76.59 110.696 179.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 5' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -64.91 -39.1 93.0 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 119.743 -0.783 . . . . 62.23 110.504 175.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.05 -44.08 99.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 119.421 -0.912 . . . . 32.29 109.644 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 7' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.14 -47.1 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 C-N-CA 121.061 -0.256 . . . . 35.56 110.521 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 8' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.24 -46.0 91.31 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 120.869 0.366 . . . . 46.61 111.526 -177.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 9' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.23 -41.21 94.62 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.008 -0.677 . . . . 32.54 111.358 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 10' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.8 -33.93 76.78 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 117.98 -1.488 . . . . 23.76 112.242 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -63.29 -40.87 98.58 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.191 -1.004 . . . . 40.51 111.238 174.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 12' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.31 -37.24 86.49 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.294 -0.879 . . . . 30.2 110.616 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 13' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.33 -41.12 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 119.345 -0.942 . . . . 25.68 110.45 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 14' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.8 -49.85 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.646 -0.659 . . . . 25.34 110.741 172.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.64 -38.5 85.02 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 121.819 -0.551 . . . . 33.68 112.415 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.73 -37.31 73.48 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.168 -0.613 . . . . 27.84 111.505 -178.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.97 -34.84 73.91 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.223 -0.591 . . . . 25.12 110.592 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 tp -59.56 -45.0 93.09 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 119.544 -0.862 . . . . 26.85 110.751 173.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.66 79.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 119.713 -0.795 . . . . 26.84 110.376 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 20' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.71 -42.03 85.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 119.661 -0.816 . . . . 28.26 110.927 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.78 -46.09 79.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 CA-C-O 121.404 0.621 . . . . 30.46 110.445 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 22' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -69.84 -37.28 76.13 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 113.61 -3.236 . . . . 41.47 112.633 -175.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.27 -33.95 77.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.598 1.09 . . . . 40.51 111.621 164.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 24' ' ' LEU . . . . . . . . . . . . . 47.8 mt -74.94 -47.6 28.82 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 118.217 0.462 . . . . 62.75 111.219 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -62.38 1.84 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.044 0.449 . . . . 94.66 110.805 176.134 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.49 -36.89 1.07 Allowed Glycine 0 N--CA 1.45 -0.432 0 O-C-N 121.933 -0.479 . . . . 123.86 113.65 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 O-C-N 123.004 -0.115 . . . . 125.71 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 t0 . . . . . 0 C--O 1.235 0.333 0 N-CA-C 108.774 -0.824 . . . . 89.06 108.774 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -58.74 -40.32 83.46 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.173 -0.611 . . . . 66.72 111.295 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.21 -47.39 81.41 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.433 -0.907 . . . . 55.28 111.134 -177.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 4' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -61.28 -39.01 88.82 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.54 -0.864 . . . . 79.35 111.17 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 5' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -65.53 -35.4 80.74 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 119.756 -0.778 . . . . 49.62 111.685 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 6' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.75 -47.34 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 119.572 -0.851 . . . . 31.73 110.57 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -55.79 -47.8 78.98 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 O-C-N 121.247 -0.908 . . . . 35.28 111.001 176.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.24 -46.53 88.44 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 120.359 -0.537 . . . . 35.71 111.552 -177.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 9' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.89 -38.58 89.14 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 119.496 -0.882 . . . . 30.24 111.103 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 10' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.1 -39.31 89.47 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 119.758 -0.777 . . . . 23.03 110.845 174.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.61 -42.58 99.66 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.566 -0.709 . . . . 45.73 110.948 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.02 -41.34 96.37 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 120.305 -0.558 . . . . 28.26 111.726 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 13' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.21 -43.79 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.343 -0.848 . . . . 24.85 110.656 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -55.64 -50.34 67.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 O-C-N 121.623 -0.673 . . . . 26.39 111.223 174.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -59.71 -40.11 86.87 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.613 -0.68 . . . . 36.39 111.278 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.71 -36.07 75.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 120.294 -0.562 . . . . 33.38 111.904 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.49 -35.77 68.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 O-C-N 120.932 -1.105 . . . . 28.37 111.662 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 18' ' ' LEU . . . . . . . . . . . . . 43.0 mt -57.85 -41.13 81.73 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.588 -0.845 . . . . 38.77 110.69 169.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.72 83.94 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 118.328 -1.349 . . . . 30.39 111.003 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 20' ' ' ILE . . . . . . . . . . . . . 39.8 mt -66.77 -39.98 84.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 C-N-CA 119.197 -1.001 . . . . 33.03 109.913 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.42 -38.18 81.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 C-N-CA 119.392 -0.923 . . . . 39.05 109.827 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 22' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.58 -40.75 89.1 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.104 -1.039 . . . . 56.62 110.908 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.29 -32.84 74.5 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 120.325 -0.55 . . . . 48.81 111.636 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 24' ' ' LEU . . . . . 0.483 HD21 ' H81' ' G' ' 103' ' ' C8E . 96.7 mt -70.37 -42.71 71.41 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.368 -0.933 . . . . 69.35 111.416 -178.193 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 25' ' ' ARG . . . . . 0.559 ' HG2' HD22 ' F' ' 23' ' ' LEU . 2.2 mmm180 -107.6 -65.75 1.08 Allowed 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 117.678 -1.154 . . . . 99.14 111.336 -178.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.17 -28.56 70.9 Favored Glycine 0 C--N 1.308 -0.973 0 N-CA-C 118.552 2.181 . . . . 99.78 118.552 -168.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.058 0 CA-C-N 116.932 0.366 . . . . 95.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 1' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--O 1.224 -0.263 0 CA-C-O 120.761 0.315 . . . . 92.57 111.156 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 2' ' ' SER . . . . . . . . . . . . . 10.4 m -67.89 -37.16 81.4 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.79 -0.764 . . . . 69.58 111.338 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 3' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' K' ' 3' ' ' LEU . 13.5 mt -64.57 -41.51 96.24 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.399 -0.52 . . . . 64.43 111.739 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -69.36 -32.33 71.32 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 117.822 -1.551 . . . . 86.65 111.035 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 5' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -64.31 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 119.235 -0.986 . . . . 82.41 111.167 172.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 6' ' ' ILE . . . . . . . . . . . . . 94.6 mt -66.16 -47.27 85.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-O 121.173 0.511 . . . . 38.57 110.608 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 7' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.55 -46.06 78.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.04 -1.064 . . . . 45.79 109.94 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 8' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -65.78 -43.57 88.4 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 119.978 -0.689 . . . . 53.72 112.763 -175.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -66.04 -35.67 81.19 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.363 -0.836 . . . . 32.09 111.703 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 10' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.0 -38.39 88.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 118.89 -1.124 . . . . 31.55 110.545 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.0 -48.46 73.32 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.495 0.664 . . . . 52.38 111.231 172.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.19 -39.09 91.55 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 119.079 -1.048 . . . . 42.07 110.821 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mt -62.48 -41.27 91.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 C-N-CA 119.307 -0.957 . . . . 25.36 110.43 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.59 -51.22 74.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.731 0.301 . . . . 28.61 110.873 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -56.55 -40.48 75.22 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 118.735 -1.186 . . . . 36.22 111.445 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.75 -37.4 73.43 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 121.213 -0.929 . . . . 30.08 112.242 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.5 -37.13 86.11 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 119.668 -0.813 . . . . 27.03 111.756 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 18' ' ' LEU . . . . . . . . . . . . . 38.5 mt -58.46 -39.95 81.29 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 119.737 -0.785 . . . . 35.45 111.743 171.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.32 96.17 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.75 -0.78 . . . . 27.41 110.813 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 20' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.63 -45.42 84.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-O 121.343 0.592 . . . . 28.3 110.37 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.82 -44.86 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.069 -1.053 . . . . 33.03 109.706 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 22' ' ' PHE . . . . . 0.451 ' HB2' ' H61' ' A' ' 102' ' ' C8E . 33.0 t80 -60.03 -48.16 82.88 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.928 -0.709 . . . . 52.84 111.388 179.897 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 23' ' ' LEU . . . . . . . . . . . . . 48.7 mt -60.28 -44.04 95.71 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 122.057 -0.402 . . . . 38.12 111.587 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 24' ' ' LEU . . . . . 0.755 HD21 ' H82' ' M' ' 101' ' ' C8E . 82.6 mt -63.7 -31.72 72.98 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 118.865 -1.134 . . . . 42.21 111.818 179.491 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -69.15 -26.04 64.68 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.713 -0.795 . . . . 79.1 112.401 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.62 145.8 6.88 Favored Glycine 0 C--O 1.259 1.707 0 CA-C-O 117.027 -1.985 . . . . 107.74 110.484 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 121.5 2.65 . . . . 113.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 1' ' ' ASP . . . . . 0.411 ' OD1' ' HD3' ' L' ' 4' ' ' LYS . 13.1 p-10 . . . . . 0 CA--C 1.523 -0.077 0 CA-C-O 120.892 0.377 . . . . 155.08 111.418 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -84.8 -26.89 27.2 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.96 -0.564 . . . . 108.8 112.501 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 3' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.18 -40.27 94.03 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 118.503 0.592 . . . . 67.46 111.536 -176.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 4' ' ' LYS . . . . . 0.411 ' HD3' ' OD1' ' L' ' 1' ' ' ASP . 26.6 mtpt -69.9 -35.68 74.8 Favored 'General case' 0 CA--C 1.509 -0.596 0 C-N-CA 119.4 -0.92 . . . . 85.42 111.464 179.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 5' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -58.18 -38.58 76.95 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 119.736 -0.785 . . . . 63.58 109.864 172.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 6' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.51 -48.08 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 121.239 0.543 . . . . 43.29 111.091 -174.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 7' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.5 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 O-C-N 121.674 -0.641 . . . . 57.24 110.578 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 8' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -65.97 -41.02 91.71 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 121.698 -0.626 . . . . 58.8 111.85 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.04 -37.22 78.46 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 118.306 -1.358 . . . . 35.12 110.916 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 10' ' ' LEU . . . . . . . . . . . . . 31.9 mt -66.64 -40.94 88.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.377 0.608 . . . . 31.05 110.801 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.51 -45.66 77.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.596 -0.729 . . . . 49.36 111.492 170.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.05 -38.62 91.73 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 119.112 -1.035 . . . . 47.27 110.555 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 13' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.07 -40.24 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.855 -0.528 . . . . 25.96 110.69 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 14' ' ' VAL . . . . . . . . . . . . . 46.8 t -61.22 -45.79 97.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 119.615 -0.834 . . . . 30.8 110.965 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.51 -36.71 81.3 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.474 -0.89 . . . . 36.6 111.328 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 16' ' ' LEU . . . . . . . . . . . . . 86.7 mt -74.17 -37.53 63.94 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 118.958 -1.097 . . . . 34.83 111.333 -178.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.94 -34.03 77.44 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 118.968 -1.093 . . . . 23.74 110.523 175.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 18' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.54 -41.91 95.46 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.076 -1.05 . . . . 31.74 110.603 174.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.22 98.42 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 110.31 -0.256 . . . . 28.84 110.31 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 20' ' ' ILE . . . . . . . . . . . . . 57.7 mt -63.06 -43.62 99.11 Favored 'Isoleucine or valine' 0 C--O 1.247 0.938 0 C-N-CA 120.312 -0.555 . . . . 27.21 111.41 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 21' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.19 -42.38 93.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.813 0 C-N-CA 118.245 -1.382 . . . . 35.49 109.804 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 22' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -61.97 -46.09 90.8 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.353 -0.539 . . . . 58.09 110.668 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -59.92 -40.62 89.49 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.792 0.33 . . . . 45.74 111.476 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 24' ' ' LEU . . . . . . . . . . . . . 77.8 mt -71.19 -28.44 64.23 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.365 -0.934 . . . . 46.4 112.364 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 25' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -75.43 -21.5 58.12 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.57 -0.852 . . . . 85.98 112.433 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.95 147.62 7.28 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 115.379 0.912 . . . . 91.12 115.379 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 O-C-N 122.828 -0.219 . . . . 93.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 1' ' ' ASP . . . . . . . . . . . . . 40.9 t0 . . . . . 0 C--O 1.233 0.226 0 N-CA-C 109.565 -0.532 . . . . 110.12 109.565 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -77.99 -46.35 21.29 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 119.813 -0.755 . . . . 87.43 111.366 178.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 3' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' N' ' 2' ' ' SER . 11.3 mt -56.1 -46.71 79.0 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.835 0.35 . . . . 73.87 111.293 -178.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -66.11 -33.37 75.64 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 120.331 -0.547 . . . . 94.6 111.716 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -60.31 -37.26 80.03 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 118.656 -1.217 . . . . 76.97 110.217 168.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 6' ' ' ILE . . . . . . . . . . . . . 87.7 mt -72.21 -46.86 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 120.066 -0.654 . . . . 41.42 110.599 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 t -62.16 -43.56 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 121.263 -0.898 . . . . 46.04 111.248 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 8' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.8 -44.89 96.26 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.557 -0.715 . . . . 59.44 111.821 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 mt -70.05 -37.18 75.47 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 118.649 -1.22 . . . . 40.54 111.721 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 10' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.73 -35.6 80.29 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 117.456 -1.698 . . . . 31.32 110.737 174.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -62.75 -43.63 98.31 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 120.452 -0.499 . . . . 53.14 111.205 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 mt -62.67 -36.99 84.68 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.855 -0.528 . . . . 44.86 111.793 175.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.45 -39.72 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 O-C-N 121.477 -0.764 . . . . 26.45 109.944 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.83 -44.57 98.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 119.586 -0.846 . . . . 33.47 109.907 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.95 -40.3 88.53 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 120.334 -0.546 . . . . 47.64 110.874 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 16' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.88 -37.68 73.03 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 119.962 -0.695 . . . . 34.64 111.338 -177.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.37 -36.38 81.24 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.084 -1.046 . . . . 26.4 111.327 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.65 -42.82 84.24 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.782 -0.767 . . . . 40.34 111.081 171.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.81 92.42 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.815 0.34 . . . . 31.51 111.084 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mt -66.27 -43.19 91.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.93 -0.708 . . . . 30.05 111.157 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.25 -44.26 78.95 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 CA-C-O 121.267 0.556 . . . . 34.49 110.478 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 22' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -62.16 -43.32 99.09 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 120.949 0.404 . . . . 59.16 111.505 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 23' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.01 -39.58 87.1 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.66 -0.246 . . . . 43.35 111.081 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 24' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.93 -26.97 67.84 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 119.434 -0.907 . . . . 45.88 111.662 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -88.13 -6.36 57.93 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.716 1.006 . . . . 98.35 113.716 171.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.96 27.99 9.77 Favored Glycine 0 CA--C 1.536 1.364 0 N-CA-C 118.268 2.067 . . . . 88.12 118.268 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 O-C-N 122.024 -0.691 . . . . 78.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 1' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 121.572 0.701 . . . . 94.35 111.384 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 2' ' ' SER . . . . . 0.412 ' HB2' HD13 ' M' ' 3' ' ' LEU . 70.8 m -72.16 -29.25 63.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.586 -0.734 . . . . 78.67 112.364 -172.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' N' N ' 3' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.71 -39.68 94.9 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 118.265 0.484 . . . . 61.76 111.471 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 4' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -61.55 -38.75 88.62 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.237 -0.585 . . . . 81.13 110.701 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 5' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -67.41 -40.09 85.54 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.379 -0.529 . . . . 75.56 111.349 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.07 -46.12 96.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.579 0.705 . . . . 40.61 109.776 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 7' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.63 -43.44 94.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 119.532 -0.867 . . . . 37.46 110.416 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 8' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.91 -48.8 80.16 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.57 0.7 . . . . 51.15 111.33 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 9' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.58 -40.26 92.54 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.017 -0.673 . . . . 32.0 111.696 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 10' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.01 -34.8 78.34 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 119.133 -1.027 . . . . 26.32 111.119 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -66.67 -40.22 88.49 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.554 -0.458 . . . . 45.67 111.095 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 12' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.74 -38.45 91.17 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 119.366 -0.933 . . . . 38.99 111.191 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 13' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.85 -44.36 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 24.82 111.169 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.41 -46.21 81.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 C-N-CA 120.57 -0.452 . . . . 25.46 110.397 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 15' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.49 -36.94 85.34 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 118.263 -1.375 . . . . 32.19 111.037 -177.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 mt -71.75 -38.33 70.41 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 119.809 -0.757 . . . . 27.1 111.819 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.54 -36.03 81.68 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 118.111 -1.436 . . . . 27.88 111.054 176.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 18' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.56 -40.9 98.33 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 119.935 -0.706 . . . . 33.89 109.889 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.7 83.3 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.597 -0.441 . . . . 31.01 110.515 175.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 20' ' ' ILE . . . . . . . . . . . . . 65.3 mt -67.42 -43.85 87.33 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 C-N-CA 119.546 -0.862 . . . . 29.02 110.797 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -53.03 -44.58 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.199 0.523 . . . . 32.15 110.666 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 22' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -71.07 -36.43 72.28 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.014 -1.074 . . . . 50.59 111.024 -177.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 23' ' ' LEU . . . . . . . . . . . . . 30.7 mt -62.3 -38.62 90.11 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 118.811 -1.156 . . . . 48.62 110.394 175.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 24' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.43 -36.84 71.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 118.19 -1.404 . . . . 49.22 111.508 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 25' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -63.08 -49.93 72.55 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.922 0.328 . . . . 81.92 111.46 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.18 -30.38 37.91 Favored Glycine 0 CA--C 1.519 0.343 0 O-C-N 121.911 -0.493 . . . . 107.53 114.208 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.155 0 O-C-N 122.91 -0.17 . . . . 99.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' O' O ' 1' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 . . . . . 0 C--O 1.235 0.337 0 N-CA-C 112.6 0.593 . . . . 108.88 112.6 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' O' O ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -64.86 -35.59 81.61 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.625 -0.716 . . . . 86.74 111.414 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.0 -38.94 92.92 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 119.549 -0.86 . . . . 62.02 110.807 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -61.29 -38.12 85.64 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 120.632 0.253 . . . . 71.58 110.993 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 5' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -70.6 -33.75 71.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.121 -1.032 . . . . 49.13 111.131 178.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 6' ' ' ILE . . . . . . . . . . . . . 47.3 mt -65.2 -44.21 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 119.883 -0.727 . . . . 35.9 110.666 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 7' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.68 -46.82 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 O-C-N 121.507 -0.745 . . . . 36.7 110.62 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 8' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -55.64 -50.03 71.29 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.665 -0.647 . . . . 47.48 111.464 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.55 -37.7 87.14 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 118.872 -1.131 . . . . 27.74 112.215 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 10' ' ' LEU . . . . . . . . . . . . . 58.3 mt -69.36 -34.89 75.27 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 119.357 -0.937 . . . . 27.84 109.747 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.02 -46.51 88.02 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 120.653 0.263 . . . . 44.49 110.689 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -35.23 80.45 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 112.676 0.621 . . . . 42.77 112.676 177.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' O' O ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.9 -41.82 90.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.291 0 C-N-CA 120.27 -0.572 . . . . 25.5 110.313 175.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.13 -46.66 91.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.401 0 CA-C-O 121.275 0.559 . . . . 26.36 111.19 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 15' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.37 -40.47 96.53 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 119.287 -0.965 . . . . 32.22 112.193 179.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.68 -38.56 83.87 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 119.639 -0.824 . . . . 28.52 112.271 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.64 -35.37 80.8 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 119.505 -0.878 . . . . 26.33 111.149 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.62 -39.89 95.25 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 119.004 -1.078 . . . . 30.23 110.182 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.57 91.57 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 122.176 -0.328 . . . . 27.31 110.549 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 20' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.7 -43.11 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 120.085 -0.646 . . . . 28.77 111.494 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 21' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.78 -46.01 94.08 Favored 'Isoleucine or valine' 0 C--O 1.25 1.126 0 CA-C-O 121.872 0.844 . . . . 32.16 110.02 176.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 22' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -54.91 -46.71 74.9 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.498 -0.774 . . . . 56.28 111.69 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -69.02 -38.62 79.32 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 119.316 -0.953 . . . . 44.95 111.569 -176.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 24' ' ' LEU . . . . . 0.548 HD21 ' H81' ' M' ' 101' ' ' C8E . 74.9 mt -65.78 -30.59 71.26 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.047 -0.661 . . . . 51.4 112.085 176.572 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' O' O ' 25' ' ' ARG . . . . . 0.785 HH22 H171 ' O' ' 101' ' ' C8E . 5.8 mtt-85 -66.52 -46.42 76.26 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.812 -0.755 . . . . 104.81 110.93 176.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' O' O ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.04 66.33 2.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.28 -0.486 . . . . 150.08 113.235 176.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 O-C-N 122.994 -0.121 . . . . 157.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' C8E . . . . . 0.515 ' H81' HD21 ' E' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' C8E . . . . . 0.665 ' H32' H101 ' B' ' 105' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' SO4 . . . . . 1.294 ' O1 ' ' H13' ' B' ' 104' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' C8E . . . . . 1.294 ' H13' ' O1 ' ' B' ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' C8E . . . . . 0.665 H101 ' H32' ' A' ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' C8E . . . . . 0.807 ' H81' HD21 ' D' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 103' ' ' C8E . . . . . 0.483 ' H81' HD21 ' J' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 102' ' ' C8E . . . . . 0.917 H202 ' HE1' ' H' ' 5' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 103' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 101' ' ' C8E . . . . . 0.755 ' H82' HD21 ' K' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 103' ' ' C8E . . . . . 0.46 H191 H161 ' M' ' 103' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' O' O ' 101' ' ' C8E . . . . . 0.785 H171 HH22 ' O' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.494 ' O ' ' O ' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 203' ' ' HOH . . . . . 0.518 ' O ' H172 ' A' ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' O' O ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' O' O ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' O' O ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' O' O ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_