data_6j8f_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 6j8f _Structure_validation_residue.Date_analyzed 2019-06-14 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 ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.574 0.226 . . . . 98.4 110.894 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -31.5 59.49 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.771 -0.772 . . . . 85.57 110.336 164.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.07 -34.34 77.85 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.149 0.426 . . . . 110.23 112.149 172.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . 0.564 ' CD ' ' NE2' ' A' ' 33' ' ' GLN . 2.2 tm0? -85.73 -39.93 16.66 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.261 -0.976 . . . . 103.66 111.949 -166.03 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -64.66 -20.34 66.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 118.795 -1.162 . . . . 79.64 111.081 172.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tp -83.22 -33.47 26.11 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.371 -0.532 . . . . 64.53 111.672 176.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -73.23 -31.57 64.21 Favored 'General case' 0 C--O 1.165 -3.362 0 N-CA-C 108.95 -0.759 . . . . 88.93 108.95 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . 0.564 ' NE2' ' CD ' ' A' ' 29' ' ' GLN . 48.4 mt-30 -70.01 -41.91 73.7 Favored 'General case' 0 C--O 1.174 -2.894 0 CA-C-O 118.293 -0.86 . . . . 90.95 108.929 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . 0.501 ' NH2' ' O ' ' B' ' 98' ' ' ALA . 13.1 tpt180 -68.26 -42.55 79.47 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 123.852 0.72 . . . . 50.68 110.958 178.602 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -59.31 -40.93 87.76 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.31 -0.556 . . . . 69.06 110.954 174.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NH1' ' O ' ' B' ' 104' ' ' ILE . 56.3 ttt-85 -66.21 -44.77 82.92 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.789 -0.364 . . . . 47.47 111.129 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.01 77.25 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.462 -0.495 . . . . 37.44 111.141 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -72.09 -36.65 69.55 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.272 -0.571 . . . . 57.08 111.296 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.67 -41.32 91.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 120.499 -0.481 . . . . 41.74 110.622 -179.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -75.08 -31.0 61.09 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.377 -0.929 . . . . 45.13 111.569 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.14 91.19 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.114 -0.634 . . . . 51.33 110.628 170.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.83 -45.35 82.62 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.357 -0.537 . . . . 48.39 111.266 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -55.92 -38.92 70.91 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.597 -0.441 . . . . 49.64 111.258 178.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -65.99 -44.15 85.69 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.666 -0.414 . . . . 94.96 111.203 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.27 -43.65 90.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.193 0.52 . . . . 69.3 110.331 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 70.2 mmm -70.41 -9.44 56.36 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.563 0.949 . . . . 71.82 113.563 -173.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 118.988 0.813 . . . . 75.89 110.793 177.809 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.573 0.702 . . . . 85.61 110.132 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.16 -34.47 20.54 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 117.961 -1.019 . . . . 105.96 110.973 -177.125 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.72 -57.69 11.34 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 118.558 0.617 . . . . 93.87 111.315 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 1.3 t -50.72 -42.78 57.56 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.234 -0.586 . . . . 82.26 112.058 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -62.03 -48.02 82.16 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.78 -0.368 . . . . 75.67 111.246 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -74.6 -15.6 60.82 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.879 -0.729 . . . . 102.46 112.526 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -64.98 -51.83 59.57 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 104.911 -2.255 . . . . 99.11 104.911 173.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 36.2 ttp -53.81 -46.07 70.99 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 125.296 1.623 . . . . 75.59 111.293 -175.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -73.45 -33.83 65.08 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.196 -0.601 . . . . 71.83 111.229 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -67.62 -34.66 77.42 Favored 'General case' 0 C--O 1.185 -2.325 0 C-N-CA 118.854 -1.139 . . . . 94.17 108.4 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -72.61 -31.68 65.35 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.406 -0.917 . . . . 73.64 111.156 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.37 -38.82 82.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 120.832 0.349 . . . . 76.27 110.509 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.04 61.56 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 122.018 -0.426 . . . . 85.48 111.274 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -78.14 -52.61 8.45 Favored 'General case' 0 C--O 1.194 -1.818 0 C-N-CA 117.755 -1.578 . . . . 91.75 110.371 -179.817 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.6 pt -79.62 -37.18 18.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 O-C-N 124.561 1.163 . . . . 89.33 112.035 -160.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -72.94 144.87 85.81 Favored Pre-proline 0 N--CA 1.453 -0.305 0 O-C-N 121.347 -0.845 . . . . 86.8 109.821 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.02 -56.88 2.66 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 120.454 0.769 . . . . 95.8 112.514 176.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -104.71 67.06 0.8 Allowed 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 113.6 -1.637 . . . . 107.2 107.786 178.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.21 -49.88 65.38 Favored Glycine 0 N--CA 1.476 1.359 0 N-CA-C 116.531 1.372 . . . . 93.29 116.531 -175.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -43.89 53.88 Favored 'General case' 0 C--O 1.194 -1.851 0 CA-C-N 117.651 0.726 . . . . 114.26 112.487 -173.003 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -25.94 68.41 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 117.338 -1.745 . . . . 77.73 108.79 -177.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 1.9 t -70.63 -42.91 77.95 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.562 0 C-N-CA 118.698 -1.201 . . . . 76.7 109.875 -175.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.2 96.49 Favored 'General case' 0 C--O 1.192 -1.938 0 O-C-N 124.755 1.284 . . . . 64.97 108.885 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -55.63 -51.6 66.65 Favored 'General case' 0 C--O 1.192 -1.951 0 N-CA-C 109.552 -0.536 . . . . 61.81 109.552 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -35.57 81.2 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 119.165 -1.014 . . . . 59.95 112.745 -174.232 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 62.8 mt -83.81 -48.14 17.37 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.938 0 C-N-CA 120.201 -0.6 . . . . 57.15 110.093 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -65.03 -31.44 72.67 Favored 'General case' 0 C--O 1.179 -2.658 0 CA-C-O 117.766 -1.112 . . . . 72.79 110.606 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.43 -6.52 80.75 Favored Glycine 0 C--N 1.315 -0.594 0 N-CA-C 115.619 1.008 . . . . 54.77 115.619 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ALA . . . . . 0.501 ' O ' ' NH2' ' A' ' 34' ' ' ARG . . . -75.91 127.26 32.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 117.876 0.838 . . . . 60.59 110.497 -177.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.3 p -82.07 -33.77 29.72 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.224 0.453 . . . . 73.14 112.224 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -110.01 117.02 32.66 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.994 -0.743 . . . . 85.81 108.994 177.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.88 148.33 48.31 Favored Pre-proline 0 N--CA 1.447 -0.603 0 C-N-CA 123.563 0.745 . . . . 65.46 109.805 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.68 119.39 6.53 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 CA-C-O 122.0 0.75 . . . . 71.93 110.548 170.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.48 126.93 30.87 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 105.384 -2.08 . . . . 102.14 105.384 175.035 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ILE . . . . . 0.413 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 13.5 mm -94.37 122.96 60.05 Favored Pre-proline 0 C--O 1.241 0.651 0 C-N-CA 118.272 -1.371 . . . . 78.54 108.166 -179.676 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.74 138.94 60.7 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 120.394 0.729 . . . . 66.42 111.028 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 10.1 mt -76.54 124.53 87.9 Favored Pre-proline 0 C--O 1.241 0.608 0 N-CA-C 108.856 -0.794 . . . . 64.51 108.856 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.58 139.34 53.0 Favored 'Trans proline' 0 C--N 1.332 -0.325 0 C-N-CA 120.188 0.592 . . . . 56.99 111.488 -177.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.6 t -82.79 129.31 34.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.376 -0.829 . . . . 67.84 109.964 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.8 128.26 93.79 Favored Pre-proline 0 C--O 1.246 0.885 0 N-CA-C 109.118 -0.697 . . . . 56.2 109.118 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.17 130.56 16.62 Favored 'Trans proline' 0 C--N 1.332 -0.336 0 CA-C-N 118.969 0.668 . . . . 49.47 111.491 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 49.7 p -125.16 147.11 49.18 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.5 -0.926 . . . . 52.9 108.5 173.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -124.87 137.97 54.27 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.121 -0.491 . . . . 51.3 112.067 -164.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -66.82 152.31 95.74 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.891 . . . . 82.19 109.409 166.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -66.76 -14.13 42.63 Favored 'Trans proline' 0 C--O 1.237 0.451 0 N-CA-C 113.326 0.471 . . . . 52.16 113.326 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 4.1 p -81.69 -19.28 41.89 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.768 0.655 . . . . 53.75 112.768 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 87.1 m -68.12 122.81 85.5 Favored Pre-proline 0 C--O 1.238 0.472 0 CA-C-N 118.087 0.403 . . . . 49.17 110.269 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.66 148.43 90.3 Favored 'Trans proline' 0 C--O 1.234 0.278 0 CA-C-N 119.307 0.788 . . . . 42.97 110.872 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 33.3 t -56.25 -40.9 88.16 Favored Pre-proline 0 C--O 1.241 0.626 0 CA-C-N 115.306 -0.861 . . . . 44.46 111.583 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -58.05 -39.54 84.96 Favored 'Trans proline' 0 N--CA 1.476 0.464 0 CA-C-N 120.669 1.275 . . . . 42.53 114.147 176.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.44 -33.2 73.78 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.539 -0.864 . . . . 79.38 111.473 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -61.45 -43.49 98.77 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.6 -0.44 . . . . 52.63 110.839 174.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.13 -41.2 99.27 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.781 -0.368 . . . . 49.76 111.339 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -57.67 -37.65 73.78 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.302 -0.559 . . . . 81.73 110.947 174.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.85 -36.83 67.52 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.713 -0.395 . . . . 38.6 111.437 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.37 -43.9 97.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 120.38 -0.528 . . . . 36.2 110.282 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLN . . . . . 0.528 ' NE2' ' CE ' ' B' ' 227' ' ' MET . 73.6 tp60 -65.93 -36.67 84.01 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 122.01 -0.431 . . . . 41.93 111.277 -179.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -63.31 -43.13 98.7 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.31 -0.556 . . . . 77.86 111.241 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -60.65 -45.15 95.16 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.468 -0.493 . . . . 41.29 110.934 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 26.3 mt -60.04 -39.25 79.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 120.901 0.381 . . . . 41.83 110.466 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -65.54 -37.15 85.9 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 121.873 -0.517 . . . . 68.24 111.487 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.66 -37.09 75.23 Favored 'General case' 0 C--O 1.182 -2.466 0 CA-C-O 117.186 -1.388 . . . . 81.03 111.312 -177.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.37 -25.58 67.99 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 119.04 0.836 . . . . 41.67 111.386 177.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 75.77 154.37 0.15 Allowed 'General case' 0 C--O 1.166 -3.294 0 C-N-CA 126.51 1.924 . . . . 54.18 112.208 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -71.4 141.48 50.33 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 123.696 0.623 . . . . 65.76 110.27 174.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -83.27 102.34 11.87 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.056 -0.72 . . . . 44.14 109.056 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -95.4 -3.12 47.62 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.855 0.687 . . . . 53.27 112.855 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' THR . . . . . . . . . . . . . 29.8 p -67.96 -17.4 64.43 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.941 0.719 . . . . 53.16 112.941 -172.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.85 4.04 90.42 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-O 119.126 -0.819 . . . . 57.64 114.763 -174.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' THR . . . . . . . . . . . . . 17.9 m -128.78 121.9 29.37 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.336 1.068 . . . . 60.34 108.477 177.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -84.59 128.23 34.49 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.776 -0.454 . . . . 74.93 109.776 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -91.33 -13.96 31.61 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.407 0.892 . . . . 56.65 113.407 -174.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -134.87 93.21 2.99 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 107.378 -1.341 . . . . 56.3 107.378 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.37 140.73 48.61 Favored 'General case' 0 C--O 1.164 -3.411 0 CA-C-O 118.653 -0.689 . . . . 90.74 109.339 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 73.3 mt -126.88 111.34 25.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.557 -0.905 . . . . 57.17 108.557 -173.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -86.12 108.04 18.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.025 -1.102 . . . . 80.37 108.025 170.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' LYS . . . . . 0.63 ' NZ ' ' OE1' ' C' ' 446' ' ' GLU . 14.6 mttt -61.18 -14.84 28.11 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.922 0.712 . . . . 63.77 112.922 -172.35 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' SER . . . . . . . . . . . . . 34.9 p -88.78 -1.47 58.1 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.931 0.715 . . . . 58.57 112.931 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -66.1 148.32 98.45 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 118.365 0.53 . . . . 46.17 110.016 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -62.98 160.45 33.77 Favored 'Trans proline' 0 C--N 1.332 -0.318 0 N-CA-C 110.257 -0.709 . . . . 45.9 110.257 173.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.63 -40.18 82.61 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.316 -0.856 . . . . 54.0 111.39 -177.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 8.9 t -64.92 -26.09 68.16 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.907 -0.717 . . . . 44.29 111.63 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' GLY . . . . . . . . . . . . . . . -73.36 -42.36 42.15 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 119.884 -1.151 . . . . 43.08 112.174 173.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.06 -28.72 66.78 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.247 -0.561 . . . . 50.18 111.703 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 36.9 mmt -75.0 -32.15 61.57 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.054 -0.659 . . . . 45.55 111.634 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -58.85 -39.42 81.24 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.162 -0.615 . . . . 73.99 110.814 169.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 42.3 tp -72.2 -37.72 69.19 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.95 -0.3 . . . . 61.67 111.163 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.24 90.53 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.371 -0.532 . . . . 39.44 111.135 175.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -61.72 -35.81 79.14 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.407 -0.517 . . . . 69.64 111.307 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.24 -32.63 58.98 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.426 -0.91 . . . . 104.41 111.638 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' MET . . . . . . . . . . . . . 59.3 mtt -56.0 -39.15 71.45 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.871 -0.731 . . . . 60.68 110.348 167.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' THR . . . . . . . . . . . . . 1.8 m -63.42 -34.52 77.91 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.374 -0.376 . . . . 48.46 111.454 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -89.07 -36.57 15.69 Favored 'General case' 0 C--O 1.181 -2.543 0 CA-C-O 116.994 -1.479 . . . . 77.58 111.565 -178.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -76.31 -39.9 52.92 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 124.152 0.908 . . . . 85.31 111.579 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' ALA . . . . . . . . . . . . . . . 56.81 67.3 1.01 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 122.5 1.143 . . . . 42.93 111.121 174.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' LEU . . . . . . . . . . . . . 90.0 mt -122.42 162.57 37.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 114.15 -1.386 . . . . 39.48 109.754 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -57.78 154.67 36.33 Favored 'Trans proline' 0 C--O 1.232 0.207 0 CA-C-O 121.921 0.717 . . . . 40.16 112.05 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' ILE . . . . . . . . . . . . . 37.1 pt -140.37 167.86 17.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.232 -0.894 . . . . 48.25 109.385 -172.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -120.22 -167.31 1.43 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.438 -0.801 . . . . 72.52 109.318 176.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' C' ' 449' ' ' CYS . 27.0 p -66.27 -44.36 83.81 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.429 -0.508 . . . . 47.22 112.0 -166.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.1 -42.38 84.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.222 -0.591 . . . . 42.72 111.538 -175.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 171' ' ' GLU . . . . . 0.814 ' OE2' ' O ' ' B' ' 402' ' ' HOH . 2.4 mt-10 -61.93 -34.47 76.14 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.504 -0.478 . . . . 67.26 111.659 178.138 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 172' ' ' ALA . . . . . . . . . . . . . . . -69.1 -30.95 69.34 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.518 -0.473 . . . . 38.2 111.773 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 42.5 t -63.74 -44.92 98.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.031 0.443 . . . . 36.16 110.255 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 174' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.73 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.065 0.46 . . . . 43.87 110.237 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 3.1 mt -61.11 -42.84 99.26 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.086 -0.384 . . . . 49.49 111.316 175.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -60.02 -35.2 86.57 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.292 -0.956 . . . . 35.29 113.125 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 177' ' ' ILE . . . . . . . . . . . . . 75.2 mt -71.62 -49.01 49.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 117.246 0.523 . . . . 39.79 110.368 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 178' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -49.91 -43.67 49.79 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.944 0.402 . . . . 42.26 111.442 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.05 -12.34 57.25 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 113.624 0.972 . . . . 35.11 113.624 -174.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 81.6 p -113.22 7.21 17.76 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 119.207 0.912 . . . . 39.68 113.143 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 181' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -64.77 -22.88 67.08 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.613 -0.835 . . . . 39.94 111.794 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' SER . . . . . . . . . . . . . 75.0 p -78.88 3.74 16.07 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.133 0.79 . . . . 43.06 113.133 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 183' ' ' MET . . . . . . . . . . . . . 31.7 mtt -119.75 80.85 24.79 Favored Pre-proline 0 C--O 1.241 0.637 0 N-CA-C 108.454 -0.943 . . . . 44.44 108.454 -177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 184' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.21 -23.63 52.23 Favored 'Trans proline' 0 C--O 1.237 0.447 0 N-CA-C 114.212 0.812 . . . . 43.35 114.212 -176.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 60.2 p -78.69 -0.79 31.52 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.164 0.893 . . . . 48.6 112.593 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 186' ' ' LEU . . . . . . . . . . . . . 27.8 tp -105.55 123.27 47.62 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.059 -0.719 . . . . 43.01 109.059 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -90.24 133.44 34.93 Favored 'General case' 0 C--O 1.189 -2.09 0 CA-C-O 117.859 -1.067 . . . . 94.22 108.818 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 188' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.74 141.72 51.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.113 0.883 . . . . 35.84 109.546 179.523 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 189' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -159.23 138.22 8.07 Favored Pre-proline 0 C--O 1.238 0.492 0 C-N-CA 119.906 -0.718 . . . . 49.41 110.077 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 190' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -75.9 143.18 26.03 Favored 'Trans proline' 0 C--O 1.234 0.307 0 CA-C-N 118.771 0.597 . . . . 37.95 112.234 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 191' ' ' ILE . . . . . . . . . . . . . 36.4 mt -130.48 116.03 33.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 106.764 -1.569 . . . . 39.26 106.764 171.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' SER . . . . . . . . . . . . . 53.1 p -114.71 146.86 40.44 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.141 0.496 . . . . 49.69 110.174 176.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -121.27 142.14 50.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.65 -0.705 . . . . 42.36 110.809 -176.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -115.96 115.7 26.63 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.403 -1.332 . . . . 57.7 107.403 167.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 195' ' ' THR . . . . . . . . . . . . . 66.1 p -120.64 158.71 26.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.713 0.768 . . . . 44.43 110.525 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 196' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -117.92 142.57 47.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 114.894 -1.048 . . . . 50.39 109.349 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 197' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -161.75 123.72 2.88 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.702 -0.481 . . . . 50.35 109.702 173.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 198' ' ' SER . . . . . . . . . . . . . 2.9 t 51.62 45.96 27.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.905 0.86 . . . . 56.66 111.537 170.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 199' ' ' GLY . . . . . . . . . . . . . . . 82.45 1.2 90.42 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 115.743 1.057 . . . . 50.25 115.743 176.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 200' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -119.58 149.75 41.43 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.799 1.299 . . . . 55.85 110.71 -176.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -103.61 144.96 30.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.289 -0.869 . . . . 66.71 110.142 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -132.71 132.27 42.15 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.375 -0.829 . . . . 44.73 108.839 -174.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -118.9 133.49 55.8 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.512 -0.551 . . . . 79.23 109.512 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -143.47 154.95 44.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.642 -1.244 . . . . 38.05 107.642 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' ILE . . . . . . . . . . . . . 14.6 tt -148.49 142.27 18.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 108.839 -0.8 . . . . 42.73 108.839 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 21.2 m -131.95 173.22 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.08 -1.082 . . . . 38.22 108.08 175.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 42.8 tp -103.53 105.75 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.314 -0.995 . . . . 34.88 108.314 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -67.91 142.82 40.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 119.893 -1.146 . . . . 37.86 110.462 171.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 19.6 m -135.77 147.05 28.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.511 0.672 . . . . 39.89 109.294 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -125.58 127.76 46.88 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.196 -1.039 . . . . 61.91 108.196 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -133.76 128.88 35.76 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.555 -0.535 . . . . 47.76 109.555 172.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . 48.23 44.3 19.5 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.79 0.681 . . . . 45.34 111.501 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' GLY . . . . . . . . . . . . . . . 82.2 1.5 90.38 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.599 0.999 . . . . 51.21 115.599 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -117.3 154.29 31.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 118.739 1.27 . . . . 91.48 111.01 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -113.77 146.61 39.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.464 -0.789 . . . . 54.47 111.045 -170.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' GLY . . . . . . . . . . . . . . . -155.07 -167.5 16.84 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 109.723 -1.351 . . . . 42.46 109.723 178.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -155.76 142.94 19.21 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.303 -0.959 . . . . 42.25 110.712 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' LEU . . . . . . . . . . . . . 54.3 mt -111.93 149.79 31.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 114.873 -1.058 . . . . 43.62 108.744 165.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' GLY . . . . . . . . . . . . . . . 178.54 -178.13 48.59 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 118.745 -1.693 . . . . 37.22 111.631 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' MET . . . . . . . . . . . . . 41.2 tpp -132.92 128.27 36.14 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 107.769 -1.197 . . . . 57.06 107.769 173.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' SER . . . . . . . . . . . . . 32.3 t -144.6 164.81 29.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.737 0.78 . . . . 44.02 109.754 -177.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -77.23 -15.9 59.27 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.782 -1.099 . . . . 69.63 111.671 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -116.05 142.25 47.04 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.423 0.689 . . . . 59.56 110.046 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -67.08 -33.99 76.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.714 -0.676 . . . . 85.19 112.398 -176.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' B' ' 225' ' ' ASP . 0.9 OUTLIER -93.03 13.12 21.73 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.177 0.806 . . . . 89.14 113.177 -176.69 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' LEU . . . . . . . . . . . . . 79.6 mt -115.42 22.77 12.95 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.376 0.534 . . . . 47.04 112.374 173.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' MET . . . . . 0.528 ' CE ' ' NE2' ' B' ' 126' ' ' GLN . 3.5 ptm -133.87 -83.56 0.45 Allowed 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.023 -0.671 . . . . 73.48 112.594 176.553 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -82.36 124.58 30.14 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 122.095 -0.378 . . . . 60.28 111.233 -169.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -127.27 122.03 22.81 Favored Pre-proline 0 C--O 1.243 0.714 0 N-CA-C 108.049 -1.093 . . . . 45.26 108.049 166.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -64.48 148.84 90.73 Favored 'Trans proline' 0 CA--C 1.499 -1.229 0 CA-C-N 119.488 0.853 . . . . 46.91 110.466 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -70.61 75.85 1.53 Allowed 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 120.162 0.575 . . . . 51.11 112.76 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -120.55 -19.99 7.3 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.259 1.207 . . . . 50.43 114.259 -177.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -66.76 135.32 53.79 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.784 0.72 . . . . 52.59 110.167 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -80.35 -20.32 44.44 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.006 0.743 . . . . 103.89 113.006 -174.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' THR . . . . . . . . . . . . . 43.5 p -136.17 161.55 35.43 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.438 0.637 . . . . 51.23 109.591 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.72 -35.85 81.91 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.294 -0.866 . . . . 42.76 111.058 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' SER . . . . . . . . . . . . . 20.6 m -55.39 -47.91 75.14 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.79 0.329 . . . . 58.16 111.15 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.17 -37.61 83.53 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.355 -0.538 . . . . 82.61 111.379 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.26 -46.38 83.97 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.427 -0.509 . . . . 46.21 111.131 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.98 -40.03 78.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 120.601 -0.44 . . . . 40.83 110.682 -176.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 241' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.54 -27.68 67.16 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.286 -0.566 . . . . 48.64 111.74 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -61.06 -43.99 98.05 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.333 -0.547 . . . . 65.41 110.646 171.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 243' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -63.78 -40.8 97.54 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.578 -0.449 . . . . 40.87 111.31 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -61.75 -44.62 96.55 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.952 -0.699 . . . . 64.91 110.937 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 245' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.42 87.72 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.518 -0.473 . . . . 50.92 111.113 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.66 98.06 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.597 -0.441 . . . . 44.48 111.255 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 247' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -61.9 -40.07 94.17 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.384 -0.526 . . . . 43.59 111.049 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . -66.32 -29.91 75.73 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.535 -0.84 . . . . 43.15 113.645 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 249' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -65.19 -22.92 66.96 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.981 -0.688 . . . . 54.85 111.8 -178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 250' ' ' CYS . . . . . . . . . . . . . 86.1 m -112.66 25.24 11.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 118.025 0.375 . . . . 55.6 111.484 175.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 251' ' ' TRP . . . . . . . . . . . . . 14.2 m-90 71.69 20.75 4.55 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.057 1.343 . . . . 83.58 112.755 164.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 252' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -88.67 133.54 34.18 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.254 0.622 . . . . 46.24 110.331 172.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 253' ' ' VAL . . . . . . . . . . . . . 84.6 t -92.97 132.96 35.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.869 -0.789 . . . . 53.97 108.869 171.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 68.2 tp -83.68 114.82 21.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.755 -0.832 . . . . 45.87 108.755 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 255' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -93.69 -43.92 8.42 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.674 0.62 . . . . 77.93 112.674 -177.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -151.91 143.34 23.43 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 119.886 -0.726 . . . . 80.09 110.767 -172.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 94.5 t -123.74 125.14 70.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 107.35 -1.352 . . . . 43.49 107.35 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 258' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -111.62 121.85 46.23 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.904 -1.146 . . . . 73.84 107.904 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 259' ' ' LEU . . . . . . . . . . . . . 1.6 mp -118.01 129.52 55.63 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.404 -0.591 . . . . 53.85 109.404 -176.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -93.99 175.93 35.61 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-O 121.996 0.776 . . . . 40.63 112.972 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 261' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -84.14 163.52 19.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.586 0.707 . . . . 62.5 110.377 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 262' ' ' SER . . . . . . . . . . . . . 1.2 m -48.72 141.26 7.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.224 -0.898 . . . . 61.86 110.288 173.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 263' ' ' VAL . . . . . . . . . . . . . 51.4 t -94.67 130.63 43.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 108.844 -0.799 . . . . 43.47 108.844 178.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 264' ' ' SER . . . . . . . . . . . . . 1.3 t -57.98 143.85 41.66 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.196 0.522 . . . . 50.89 110.77 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 265' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -83.61 -1.76 54.61 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.808 0.67 . . . . 41.44 112.808 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 266' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -82.17 106.97 7.37 Favored Pre-proline 0 C--O 1.238 0.465 0 N-CA-C 109.151 -0.685 . . . . 52.73 109.151 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 267' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.61 -7.03 19.27 Favored 'Trans proline' 0 C--O 1.237 0.467 0 N-CA-C 113.583 0.57 . . . . 46.96 113.583 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 268' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -105.61 13.02 30.52 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 118.502 0.592 . . . . 61.21 112.399 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 269' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.02 140.74 56.34 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.19 0.519 . . . . 43.7 110.895 -176.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 15.9 m -92.96 9.57 4.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.946 -0.57 . . . . 53.99 110.772 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -97.25 151.51 19.79 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 112.386 0.513 . . . . 92.57 112.386 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 272' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -76.65 155.83 33.11 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.59 1.181 . . . . 81.16 110.425 174.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 273' ' ' ILE . . . . . . . . . . . . . 68.8 mt -68.71 131.27 33.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 108.419 -0.956 . . . . 46.18 108.419 163.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 274' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -88.35 91.76 8.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 107.63 -1.248 . . . . 101.66 107.63 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 275' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -70.44 -17.77 63.0 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.033 0.753 . . . . 48.7 113.033 -173.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 276' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -133.28 53.9 1.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.501 0.591 . . . . 78.76 111.5 -167.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 277' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -69.46 -32.53 71.52 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 118.567 -1.253 . . . . 68.56 111.144 173.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 278' ' ' SER . . . . . . . . . . . . . 19.2 m -138.78 131.72 29.51 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.26 -0.644 . . . . 61.38 109.26 175.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 279' ' ' VAL . . . . . . . . . . . . . 4.8 t -119.86 118.27 56.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 107.142 -1.429 . . . . 53.22 107.142 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 19.5 mt -110.95 124.76 52.76 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 110.016 -0.365 . . . . 59.89 110.016 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 281' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -87.36 99.99 12.39 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.02 -1.474 . . . . 78.7 107.02 174.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 282' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.44 -23.52 30.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.375 -0.53 . . . . 67.6 111.275 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.84 -39.98 14.39 Favored 'General case' 0 C--O 1.208 -1.103 0 C-N-CA 116.047 -2.261 . . . . 96.3 108.571 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 284' ' ' ARG . . . . . 0.513 ' NH1' ' CG ' ' B' ' 284' ' ' ARG . 0.0 OUTLIER -75.49 -8.1 55.85 Favored 'General case' 0 C--O 1.193 -1.887 0 CA-C-O 117.23 -1.367 . . . . 99.24 112.263 -179.438 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 285' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.73 -48.02 7.04 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 120.201 1.364 . . . . 72.96 112.574 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 286' ' ' GLY . . . . . . . . . . . . . . . 86.89 157.32 30.54 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-O 122.215 0.897 . . . . 62.34 111.337 -171.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 287' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.1 -65.17 0.61 Allowed 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 115.67 1.73 . . . . 104.37 115.67 -169.886 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 288' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -71.28 -34.76 70.97 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.724 -0.79 . . . . 96.06 112.096 -173.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 289' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.48 -30.99 69.0 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.856 -0.738 . . . . 91.24 111.14 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 290' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -62.13 -40.2 95.15 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.663 -0.415 . . . . 58.67 110.882 169.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 291' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -68.86 -39.44 79.86 Favored 'General case' 0 C--O 1.176 -2.796 0 CA-C-O 118.158 -0.925 . . . . 110.41 111.129 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 292' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -30.3 70.09 Favored 'General case' 0 C--O 1.189 -2.104 0 O-C-N 124.821 1.326 . . . . 91.85 108.079 -178.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -73.83 -42.16 61.27 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 123.722 0.639 . . . . 96.14 111.532 -177.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.07 -33.09 74.97 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.829 -0.748 . . . . 54.08 111.32 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 295' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -74.02 -31.37 62.9 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.247 -0.581 . . . . 90.66 111.424 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 296' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -38.08 86.17 Favored 'General case' 0 C--O 1.193 -1.883 0 N-CA-C 107.209 -1.404 . . . . 92.57 107.209 176.04 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 297' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -68.23 -38.47 81.89 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 119.344 -0.942 . . . . 53.88 111.367 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.46 96.83 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.147 -0.621 . . . . 53.1 110.953 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 15.5 ttp-105 -62.86 -36.43 83.24 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 121.065 -0.254 . . . . 97.96 111.024 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 300' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -74.42 -14.3 60.83 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.78 0.659 . . . . 80.89 112.78 -178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' MET . . . . . . . . . . . . . 64.5 mtm -82.81 -17.99 42.08 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.642 -0.823 . . . . 66.59 111.868 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' ARG . . . . . 0.978 ' O ' ' O ' ' B' ' 401' ' ' HOH . 6.9 mtt180 -87.93 59.86 5.56 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 122.613 1.197 . . . . 87.96 109.404 161.237 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 114.541 -1.209 . . . . 78.12 110.749 -177.611 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 446' ' ' GLU . . . . . 0.63 ' OE1' ' NZ ' ' B' ' 146' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.194 -1.832 0 N-CA-C 106.927 -1.509 . . . . 68.58 106.927 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 447' ' ' GLY . . . . . . . . . . . . . . . -123.12 -4.27 8.53 Favored Glycine 0 C--O 1.196 -2.238 0 CA-C-O 116.685 -2.175 . . . . 76.16 115.613 -175.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 448' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -80.68 -45.01 17.87 Favored 'General case' 0 C--O 1.179 -2.617 0 C-N-CA 116.173 -2.211 . . . . 66.97 110.223 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 449' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' B' ' 169' ' ' CYS . 3.2 m 65.24 33.82 8.92 Favored 'General case' 0 C--O 1.167 -3.254 0 O-C-N 125.249 1.593 . . . . 57.36 111.532 179.651 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 450' ' ' TYR . . . . . 0.585 ' OXT' ' O ' ' C' ' 501' ' ' HOH . 21.5 p90 . . . . . 0 C--O 1.177 -2.747 0 CA-C-O 113.657 -3.068 . . . . 56.83 104.536 172.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 401' ' ' HOH . . . . . 0.978 ' O ' ' O ' ' B' ' 302' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 402' ' ' HOH . . . . . 0.814 ' O ' ' OE2' ' B' ' 171' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 501' ' ' HOH . . . . . 0.585 ' O ' ' OXT' ' C' ' 450' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.574 0.226 . . . . 98.4 110.894 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -31.5 59.49 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.771 -0.772 . . . . 85.57 110.336 164.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.07 -34.34 77.85 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.149 0.426 . . . . 110.23 112.149 172.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . 0.414 ' CD ' ' OE1' ' A' ' 33' ' ' GLN . 2.2 tm0? -85.73 -39.93 16.66 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.261 -0.976 . . . . 103.66 111.949 -166.03 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -64.66 -20.34 66.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 118.795 -1.162 . . . . 79.64 111.081 172.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tp -83.22 -33.47 26.11 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.371 -0.532 . . . . 64.53 111.672 176.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -73.23 -31.57 64.21 Favored 'General case' 0 C--O 1.165 -3.362 0 N-CA-C 108.95 -0.759 . . . . 88.93 108.95 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' OE1' ' CD ' ' A' ' 29' ' ' GLN . 32.0 mt-30 -70.01 -41.91 73.7 Favored 'General case' 0 C--O 1.174 -2.894 0 CA-C-O 118.293 -0.86 . . . . 90.95 108.929 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -68.26 -42.55 79.47 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 123.852 0.72 . . . . 50.68 110.958 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -59.31 -40.93 87.76 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.31 -0.556 . . . . 69.06 110.954 174.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -66.21 -44.77 82.92 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.789 -0.364 . . . . 47.47 111.129 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.01 77.25 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.462 -0.495 . . . . 37.44 111.141 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -72.09 -36.65 69.55 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.272 -0.571 . . . . 57.08 111.296 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.67 -41.32 91.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 120.499 -0.481 . . . . 41.74 110.622 -179.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -75.08 -31.0 61.09 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.377 -0.929 . . . . 45.13 111.569 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.14 91.19 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.114 -0.634 . . . . 51.33 110.628 170.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.83 -45.35 82.62 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.357 -0.537 . . . . 48.39 111.266 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -55.92 -38.92 70.91 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.597 -0.441 . . . . 49.64 111.258 178.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -65.99 -44.15 85.69 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.666 -0.414 . . . . 94.96 111.203 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.27 -43.65 90.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.193 0.52 . . . . 69.3 110.331 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 70.2 mmm -70.41 -9.44 56.36 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.563 0.949 . . . . 71.82 113.563 -173.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 118.988 0.813 . . . . 75.89 110.793 177.809 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ASP . . . . . 0.59 ' HB2' ' CG2' ' B' ' 73' ' ' THR . 53.3 p-10 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.573 0.702 . . . . 85.61 110.132 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.16 -34.47 20.54 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 117.961 -1.019 . . . . 105.96 110.973 -177.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.72 -57.69 11.34 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 118.558 0.617 . . . . 93.87 111.315 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' THR . . . . . 0.61 ' HA ' ' NH2' ' B' ' 76' ' ' ARG . 1.3 t -50.72 -42.78 57.56 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.234 -0.586 . . . . 82.26 112.058 173.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -62.03 -48.02 82.16 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.78 -0.368 . . . . 75.67 111.246 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -74.6 -15.6 60.82 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.879 -0.729 . . . . 102.46 112.526 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ARG . . . . . 0.61 ' NH2' ' HA ' ' B' ' 73' ' ' THR . 3.6 ttp180 -64.98 -51.83 59.57 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 104.911 -2.255 . . . . 99.11 104.911 173.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 36.2 ttp -53.81 -46.07 70.99 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 125.296 1.623 . . . . 75.59 111.293 -175.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -73.45 -33.83 65.08 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.196 -0.601 . . . . 71.83 111.229 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -67.62 -34.66 77.42 Favored 'General case' 0 C--O 1.185 -2.325 0 C-N-CA 118.854 -1.139 . . . . 94.17 108.4 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -72.61 -31.68 65.35 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.406 -0.917 . . . . 73.64 111.156 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.37 -38.82 82.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 120.832 0.349 . . . . 76.27 110.509 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ALA . . . . . 0.455 ' HA ' ' HA3' ' B' ' 88' ' ' GLY . . . -55.04 -32.04 61.56 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 122.018 -0.426 . . . . 85.48 111.274 178.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -78.14 -52.61 8.45 Favored 'General case' 0 C--O 1.194 -1.818 0 C-N-CA 117.755 -1.578 . . . . 91.75 110.371 -179.817 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.6 pt -79.62 -37.18 18.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 O-C-N 124.561 1.163 . . . . 89.33 112.035 -160.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -72.94 144.87 85.81 Favored Pre-proline 0 N--CA 1.453 -0.305 0 O-C-N 121.347 -0.845 . . . . 86.8 109.821 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.02 -56.88 2.66 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 120.454 0.769 . . . . 95.8 112.514 176.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ASP . . . . . 0.513 ' OD1' ' HB2' ' B' ' 90' ' ' LYS . 18.5 t0 -104.71 67.06 0.8 Allowed 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 113.6 -1.637 . . . . 107.2 107.786 178.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' B' ' 82' ' ' ALA . . . -56.21 -49.88 65.38 Favored Glycine 0 N--CA 1.476 1.359 0 N-CA-C 116.531 1.372 . . . . 93.29 116.531 -175.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -43.89 53.88 Favored 'General case' 0 C--O 1.194 -1.851 0 CA-C-N 117.651 0.726 . . . . 114.26 112.487 -173.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LYS . . . . . 0.513 ' HB2' ' OD1' ' B' ' 87' ' ' ASP . 0.0 OUTLIER -63.77 -25.94 68.41 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 117.338 -1.745 . . . . 77.73 108.79 -177.051 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 1.9 t -70.63 -42.91 77.95 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.562 0 C-N-CA 118.698 -1.201 . . . . 76.7 109.875 -175.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.2 96.49 Favored 'General case' 0 C--O 1.192 -1.938 0 O-C-N 124.755 1.284 . . . . 64.97 108.885 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' B' ' 93' ' ' GLN . 22.6 tp60 -55.63 -51.6 66.65 Favored 'General case' 0 C--O 1.192 -1.951 0 N-CA-C 109.552 -0.536 . . . . 61.81 109.552 -179.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -35.57 81.2 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 119.165 -1.014 . . . . 59.95 112.745 -174.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 62.8 mt -83.81 -48.14 17.37 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.938 0 C-N-CA 120.201 -0.6 . . . . 57.15 110.093 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -65.03 -31.44 72.67 Favored 'General case' 0 C--O 1.179 -2.658 0 CA-C-O 117.766 -1.112 . . . . 72.79 110.606 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.43 -6.52 80.75 Favored Glycine 0 C--N 1.315 -0.594 0 N-CA-C 115.619 1.008 . . . . 54.77 115.619 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.91 127.26 32.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 117.876 0.838 . . . . 60.59 110.497 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.3 p -82.07 -33.77 29.72 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.224 0.453 . . . . 73.14 112.224 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -110.01 117.02 32.66 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.994 -0.743 . . . . 85.81 108.994 177.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.88 148.33 48.31 Favored Pre-proline 0 N--CA 1.447 -0.603 0 C-N-CA 123.563 0.745 . . . . 65.46 109.805 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.68 119.39 6.53 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 CA-C-O 122.0 0.75 . . . . 71.93 110.548 170.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.48 126.93 30.87 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 105.384 -2.08 . . . . 102.14 105.384 175.035 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 13.5 mm -94.37 122.96 60.05 Favored Pre-proline 0 C--O 1.241 0.651 0 C-N-CA 118.272 -1.371 . . . . 78.54 108.166 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.74 138.94 60.7 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 120.394 0.729 . . . . 66.42 111.028 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 10.1 mt -76.54 124.53 87.9 Favored Pre-proline 0 C--O 1.241 0.608 0 N-CA-C 108.856 -0.794 . . . . 64.51 108.856 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.58 139.34 53.0 Favored 'Trans proline' 0 C--N 1.332 -0.325 0 C-N-CA 120.188 0.592 . . . . 56.99 111.488 -177.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.6 t -82.79 129.31 34.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.376 -0.829 . . . . 67.84 109.964 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' VAL . . . . . 0.403 HG21 HG23 ' B' ' 161' ' ' THR . 88.1 t -66.8 128.26 93.79 Favored Pre-proline 0 C--O 1.246 0.885 0 N-CA-C 109.118 -0.697 . . . . 56.2 109.118 178.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.17 130.56 16.62 Favored 'Trans proline' 0 C--N 1.332 -0.336 0 CA-C-N 118.969 0.668 . . . . 49.47 111.491 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 49.7 p -125.16 147.11 49.18 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.5 -0.926 . . . . 52.9 108.5 173.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -124.87 137.97 54.27 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.121 -0.491 . . . . 51.3 112.067 -164.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -66.82 152.31 95.74 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.891 . . . . 82.19 109.409 166.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -66.76 -14.13 42.63 Favored 'Trans proline' 0 C--O 1.237 0.451 0 N-CA-C 113.326 0.471 . . . . 52.16 113.326 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 4.1 p -81.69 -19.28 41.89 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.768 0.655 . . . . 53.75 112.768 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 87.1 m -68.12 122.81 85.5 Favored Pre-proline 0 C--O 1.238 0.472 0 CA-C-N 118.087 0.403 . . . . 49.17 110.269 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.66 148.43 90.3 Favored 'Trans proline' 0 C--O 1.234 0.278 0 CA-C-N 119.307 0.788 . . . . 42.97 110.872 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 33.3 t -56.25 -40.9 88.16 Favored Pre-proline 0 C--O 1.241 0.626 0 CA-C-N 115.306 -0.861 . . . . 44.46 111.583 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -58.05 -39.54 84.96 Favored 'Trans proline' 0 N--CA 1.476 0.464 0 CA-C-N 120.669 1.275 . . . . 42.53 114.147 176.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.44 -33.2 73.78 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.539 -0.864 . . . . 79.38 111.473 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -61.45 -43.49 98.77 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.6 -0.44 . . . . 52.63 110.839 174.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.13 -41.2 99.27 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.781 -0.368 . . . . 49.76 111.339 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -57.67 -37.65 73.78 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.302 -0.559 . . . . 81.73 110.947 174.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.85 -36.83 67.52 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.713 -0.395 . . . . 38.6 111.437 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.37 -43.9 97.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 120.38 -0.528 . . . . 36.2 110.282 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLN . . . . . 0.508 HE22 ' H ' ' B' ' 219' ' ' GLY . 11.9 tp-100 -65.93 -36.67 84.01 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 122.01 -0.431 . . . . 41.93 111.277 -179.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -63.31 -43.13 98.7 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.31 -0.556 . . . . 77.86 111.241 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -60.65 -45.15 95.16 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.468 -0.493 . . . . 41.29 110.934 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 26.3 mt -60.04 -39.25 79.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 120.901 0.381 . . . . 41.83 110.466 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' ARG . . . . . 0.526 ' HD3' ' HE1' ' B' ' 227' ' ' MET . 52.0 mmm-85 -65.54 -37.15 85.9 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 121.873 -0.517 . . . . 68.24 111.487 178.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.66 -37.09 75.23 Favored 'General case' 0 C--O 1.182 -2.466 0 CA-C-O 117.186 -1.388 . . . . 81.03 111.312 -177.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.37 -25.58 67.99 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 119.04 0.836 . . . . 41.67 111.386 177.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 75.77 154.37 0.15 Allowed 'General case' 0 C--O 1.166 -3.294 0 C-N-CA 126.51 1.924 . . . . 54.18 112.208 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -71.4 141.48 50.33 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 123.696 0.623 . . . . 65.76 110.27 174.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -83.27 102.34 11.87 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.056 -0.72 . . . . 44.14 109.056 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -95.4 -3.12 47.62 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.855 0.687 . . . . 53.27 112.855 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' THR . . . . . . . . . . . . . 29.8 p -67.96 -17.4 64.43 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.941 0.719 . . . . 53.16 112.941 -172.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.85 4.04 90.42 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-O 119.126 -0.819 . . . . 57.64 114.763 -174.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' THR . . . . . . . . . . . . . 17.9 m -128.78 121.9 29.37 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.336 1.068 . . . . 60.34 108.477 177.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -84.59 128.23 34.49 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.776 -0.454 . . . . 74.93 109.776 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -91.33 -13.96 31.61 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.407 0.892 . . . . 56.65 113.407 -174.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -134.87 93.21 2.99 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 107.378 -1.341 . . . . 56.3 107.378 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.37 140.73 48.61 Favored 'General case' 0 C--O 1.164 -3.411 0 CA-C-O 118.653 -0.689 . . . . 90.74 109.339 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 73.3 mt -126.88 111.34 25.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.557 -0.905 . . . . 57.17 108.557 -173.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -86.12 108.04 18.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.025 -1.102 . . . . 80.37 108.025 170.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' LYS . . . . . 0.515 ' NZ ' ' OE1' ' C' ' 446' ' ' GLU . 14.6 mttt -61.18 -14.84 28.11 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.922 0.712 . . . . 63.77 112.922 -172.35 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 147' ' ' SER . . . . . . . . . . . . . 34.9 p -88.78 -1.47 58.1 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.931 0.715 . . . . 58.57 112.931 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -66.1 148.32 98.45 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 118.365 0.53 . . . . 46.17 110.016 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -62.98 160.45 33.77 Favored 'Trans proline' 0 C--N 1.332 -0.318 0 N-CA-C 110.257 -0.709 . . . . 45.9 110.257 173.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.63 -40.18 82.61 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.316 -0.856 . . . . 54.0 111.39 -177.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 8.9 t -64.92 -26.09 68.16 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.907 -0.717 . . . . 44.29 111.63 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' GLY . . . . . . . . . . . . . . . -73.36 -42.36 42.15 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 119.884 -1.151 . . . . 43.08 112.174 173.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.06 -28.72 66.78 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.247 -0.561 . . . . 50.18 111.703 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 36.9 mmt -75.0 -32.15 61.57 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.054 -0.659 . . . . 45.55 111.634 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -58.85 -39.42 81.24 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.162 -0.615 . . . . 73.99 110.814 169.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 42.3 tp -72.2 -37.72 69.19 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.95 -0.3 . . . . 61.67 111.163 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.24 90.53 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.371 -0.532 . . . . 39.44 111.135 175.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -61.72 -35.81 79.14 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.407 -0.517 . . . . 69.64 111.307 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.24 -32.63 58.98 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.426 -0.91 . . . . 104.41 111.638 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 160' ' ' MET . . . . . . . . . . . . . 59.3 mtt -56.0 -39.15 71.45 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.871 -0.731 . . . . 60.68 110.348 167.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 161' ' ' THR . . . . . 0.508 HG21 ' O ' ' B' ' 413' ' ' HOH . 1.8 m -63.42 -34.52 77.91 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.374 -0.376 . . . . 48.46 111.454 178.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -89.07 -36.57 15.69 Favored 'General case' 0 C--O 1.181 -2.543 0 CA-C-O 116.994 -1.479 . . . . 77.58 111.565 -178.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 163' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -76.31 -39.9 52.92 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 124.152 0.908 . . . . 85.31 111.579 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 164' ' ' ALA . . . . . . . . . . . . . . . 56.81 67.3 1.01 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 122.5 1.143 . . . . 42.93 111.121 174.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 165' ' ' LEU . . . . . . . . . . . . . 90.0 mt -122.42 162.57 37.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 114.15 -1.386 . . . . 39.48 109.754 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 166' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -57.78 154.67 36.33 Favored 'Trans proline' 0 C--O 1.232 0.207 0 CA-C-O 121.921 0.717 . . . . 40.16 112.05 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 167' ' ' ILE . . . . . . . . . . . . . 37.1 pt -140.37 167.86 17.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.232 -0.894 . . . . 48.25 109.385 -172.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -120.22 -167.31 1.43 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.438 -0.801 . . . . 72.52 109.318 176.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 169' ' ' CYS . . . . . . . . . . . . . 27.0 p -66.27 -44.36 83.81 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.429 -0.508 . . . . 47.22 112.0 -166.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.1 -42.38 84.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.222 -0.591 . . . . 42.72 111.538 -175.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 171' ' ' GLU . . . . . 0.814 ' OE2' ' O ' ' B' ' 402' ' ' HOH . 2.4 mt-10 -61.93 -34.47 76.14 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.504 -0.478 . . . . 67.26 111.659 178.138 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 172' ' ' ALA . . . . . . . . . . . . . . . -69.1 -30.95 69.34 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.518 -0.473 . . . . 38.2 111.773 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 42.5 t -63.74 -44.92 98.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.031 0.443 . . . . 36.16 110.255 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 174' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.73 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.065 0.46 . . . . 43.87 110.237 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 3.1 mt -61.11 -42.84 99.26 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.086 -0.384 . . . . 49.49 111.316 175.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -60.02 -35.2 86.57 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.292 -0.956 . . . . 35.29 113.125 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 177' ' ' ILE . . . . . . . . . . . . . 75.2 mt -71.62 -49.01 49.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 117.246 0.523 . . . . 39.79 110.368 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 178' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -49.91 -43.67 49.79 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.944 0.402 . . . . 42.26 111.442 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.05 -12.34 57.25 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 113.624 0.972 . . . . 35.11 113.624 -174.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 81.6 p -113.22 7.21 17.76 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 119.207 0.912 . . . . 39.68 113.143 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 181' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -64.77 -22.88 67.08 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.613 -0.835 . . . . 39.94 111.794 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 182' ' ' SER . . . . . . . . . . . . . 75.0 p -78.88 3.74 16.07 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.133 0.79 . . . . 43.06 113.133 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 183' ' ' MET . . . . . . . . . . . . . 31.7 mtt -119.75 80.85 24.79 Favored Pre-proline 0 C--O 1.241 0.637 0 N-CA-C 108.454 -0.943 . . . . 44.44 108.454 -177.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 184' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.21 -23.63 52.23 Favored 'Trans proline' 0 C--O 1.237 0.447 0 N-CA-C 114.212 0.812 . . . . 43.35 114.212 -176.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 60.2 p -78.69 -0.79 31.52 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.164 0.893 . . . . 48.6 112.593 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 186' ' ' LEU . . . . . . . . . . . . . 27.8 tp -105.55 123.27 47.62 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.059 -0.719 . . . . 43.01 109.059 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -90.24 133.44 34.93 Favored 'General case' 0 C--O 1.189 -2.09 0 CA-C-O 117.859 -1.067 . . . . 94.22 108.818 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 188' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.74 141.72 51.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.113 0.883 . . . . 35.84 109.546 179.523 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 189' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -159.23 138.22 8.07 Favored Pre-proline 0 C--O 1.238 0.492 0 C-N-CA 119.906 -0.718 . . . . 49.41 110.077 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 190' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -75.9 143.18 26.03 Favored 'Trans proline' 0 C--O 1.234 0.307 0 CA-C-N 118.771 0.597 . . . . 37.95 112.234 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 191' ' ' ILE . . . . . . . . . . . . . 36.4 mt -130.48 116.03 33.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 106.764 -1.569 . . . . 39.26 106.764 171.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 192' ' ' SER . . . . . . . . . . . . . 53.1 p -114.71 146.86 40.44 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.141 0.496 . . . . 49.69 110.174 176.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 193' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -121.27 142.14 50.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.65 -0.705 . . . . 42.36 110.809 -176.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -115.96 115.7 26.63 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.403 -1.332 . . . . 57.7 107.403 167.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 195' ' ' THR . . . . . . . . . . . . . 66.1 p -120.64 158.71 26.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.713 0.768 . . . . 44.43 110.525 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 196' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -117.92 142.57 47.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 114.894 -1.048 . . . . 50.39 109.349 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 197' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -161.75 123.72 2.88 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.702 -0.481 . . . . 50.35 109.702 173.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 198' ' ' SER . . . . . . . . . . . . . 2.9 t 51.62 45.96 27.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.905 0.86 . . . . 56.66 111.537 170.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 199' ' ' GLY . . . . . . . . . . . . . . . 82.45 1.2 90.42 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 115.743 1.057 . . . . 50.25 115.743 176.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 200' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -119.58 149.75 41.43 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.799 1.299 . . . . 55.85 110.71 -176.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -103.61 144.96 30.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.289 -0.869 . . . . 66.71 110.142 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -132.71 132.27 42.15 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.375 -0.829 . . . . 44.73 108.839 -174.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -118.9 133.49 55.8 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.512 -0.551 . . . . 79.23 109.512 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -143.47 154.95 44.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.642 -1.244 . . . . 38.05 107.642 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' ILE . . . . . . . . . . . . . 14.6 tt -148.49 142.27 18.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 108.839 -0.8 . . . . 42.73 108.839 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 21.2 m -131.95 173.22 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.08 -1.082 . . . . 38.22 108.08 175.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 42.8 tp -103.53 105.75 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.314 -0.995 . . . . 34.88 108.314 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -67.91 142.82 40.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 119.893 -1.146 . . . . 37.86 110.462 171.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 19.6 m -135.77 147.05 28.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.511 0.672 . . . . 39.89 109.294 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -125.58 127.76 46.88 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.196 -1.039 . . . . 61.91 108.196 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 211' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -133.76 128.88 35.76 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.555 -0.535 . . . . 47.76 109.555 172.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . 48.23 44.3 19.5 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.79 0.681 . . . . 45.34 111.501 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 213' ' ' GLY . . . . . . . . . . . . . . . 82.2 1.5 90.38 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.599 0.999 . . . . 51.21 115.599 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -117.3 154.29 31.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 118.739 1.27 . . . . 91.48 111.01 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 215' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -113.77 146.61 39.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.464 -0.789 . . . . 54.47 111.045 -170.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 216' ' ' GLY . . . . . . . . . . . . . . . -155.07 -167.5 16.84 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 109.723 -1.351 . . . . 42.46 109.723 178.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -155.76 142.94 19.21 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.303 -0.959 . . . . 42.25 110.712 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 218' ' ' LEU . . . . . . . . . . . . . 54.3 mt -111.93 149.79 31.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 114.873 -1.058 . . . . 43.62 108.744 165.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 219' ' ' GLY . . . . . 0.508 ' H ' HE22 ' B' ' 126' ' ' GLN . . . 178.54 -178.13 48.59 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 118.745 -1.693 . . . . 37.22 111.631 177.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 220' ' ' MET . . . . . . . . . . . . . 41.2 tpp -132.92 128.27 36.14 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 107.769 -1.197 . . . . 57.06 107.769 173.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 221' ' ' SER . . . . . . . . . . . . . 32.3 t -144.6 164.81 29.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.737 0.78 . . . . 44.02 109.754 -177.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 222' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -77.23 -15.9 59.27 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.782 -1.099 . . . . 69.63 111.671 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 223' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -116.05 142.25 47.04 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.423 0.689 . . . . 59.56 110.046 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -67.08 -33.99 76.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.714 -0.676 . . . . 85.19 112.398 -176.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.03 13.12 21.73 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.177 0.806 . . . . 89.14 113.177 -176.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 226' ' ' LEU . . . . . . . . . . . . . 79.6 mt -115.42 22.77 12.95 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.376 0.534 . . . . 47.04 112.374 173.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 227' ' ' MET . . . . . 0.526 ' HE1' ' HD3' ' B' ' 130' ' ' ARG . 3.5 ptm -133.87 -83.56 0.45 Allowed 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.023 -0.671 . . . . 73.48 112.594 176.553 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 228' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -82.36 124.58 30.14 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 122.095 -0.378 . . . . 60.28 111.233 -169.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -127.27 122.03 22.81 Favored Pre-proline 0 C--O 1.243 0.714 0 N-CA-C 108.049 -1.093 . . . . 45.26 108.049 166.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 230' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -64.48 148.84 90.73 Favored 'Trans proline' 0 CA--C 1.499 -1.229 0 CA-C-N 119.488 0.853 . . . . 46.91 110.466 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 231' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -70.61 75.85 1.53 Allowed 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 120.162 0.575 . . . . 51.11 112.76 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -120.55 -19.99 7.3 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.259 1.207 . . . . 50.43 114.259 -177.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 233' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -66.76 135.32 53.79 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.784 0.72 . . . . 52.59 110.167 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -80.35 -20.32 44.44 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.006 0.743 . . . . 103.89 113.006 -174.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 235' ' ' THR . . . . . . . . . . . . . 43.5 p -136.17 161.55 35.43 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.438 0.637 . . . . 51.23 109.591 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 236' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.72 -35.85 81.91 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.294 -0.866 . . . . 42.76 111.058 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 237' ' ' SER . . . . . . . . . . . . . 20.6 m -55.39 -47.91 75.14 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.79 0.329 . . . . 58.16 111.15 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.17 -37.61 83.53 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.355 -0.538 . . . . 82.61 111.379 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.26 -46.38 83.97 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.427 -0.509 . . . . 46.21 111.131 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 240' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.98 -40.03 78.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 120.601 -0.44 . . . . 40.83 110.682 -176.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 241' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.54 -27.68 67.16 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.286 -0.566 . . . . 48.64 111.74 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -61.06 -43.99 98.05 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.333 -0.547 . . . . 65.41 110.646 171.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 243' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -63.78 -40.8 97.54 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.578 -0.449 . . . . 40.87 111.31 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 244' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -61.75 -44.62 96.55 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.952 -0.699 . . . . 64.91 110.937 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 245' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.42 87.72 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.518 -0.473 . . . . 50.92 111.113 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 246' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.66 98.06 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.597 -0.441 . . . . 44.48 111.255 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 247' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -61.9 -40.07 94.17 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.384 -0.526 . . . . 43.59 111.049 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . -66.32 -29.91 75.73 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.535 -0.84 . . . . 43.15 113.645 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 249' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -65.19 -22.92 66.96 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.981 -0.688 . . . . 54.85 111.8 -178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 250' ' ' CYS . . . . . 0.429 ' HA ' ' CE3' ' B' ' 251' ' ' TRP . 86.1 m -112.66 25.24 11.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 118.025 0.375 . . . . 55.6 111.484 175.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 251' ' ' TRP . . . . . 0.429 ' CE3' ' HA ' ' B' ' 250' ' ' CYS . 14.2 m-90 71.69 20.75 4.55 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.057 1.343 . . . . 83.58 112.755 164.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 252' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -88.67 133.54 34.18 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.254 0.622 . . . . 46.24 110.331 172.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 253' ' ' VAL . . . . . . . . . . . . . 84.6 t -92.97 132.96 35.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.869 -0.789 . . . . 53.97 108.869 171.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 68.2 tp -83.68 114.82 21.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.755 -0.832 . . . . 45.87 108.755 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 255' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -93.69 -43.92 8.42 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.674 0.62 . . . . 77.93 112.674 -177.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -151.91 143.34 23.43 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 119.886 -0.726 . . . . 80.09 110.767 -172.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 94.5 t -123.74 125.14 70.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 107.35 -1.352 . . . . 43.49 107.35 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 258' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -111.62 121.85 46.23 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.904 -1.146 . . . . 73.84 107.904 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 259' ' ' LEU . . . . . . . . . . . . . 1.6 mp -118.01 129.52 55.63 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.404 -0.591 . . . . 53.85 109.404 -176.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -93.99 175.93 35.61 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-O 121.996 0.776 . . . . 40.63 112.972 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 261' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -84.14 163.52 19.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.586 0.707 . . . . 62.5 110.377 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 262' ' ' SER . . . . . . . . . . . . . 1.2 m -48.72 141.26 7.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.224 -0.898 . . . . 61.86 110.288 173.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 263' ' ' VAL . . . . . . . . . . . . . 51.4 t -94.67 130.63 43.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 108.844 -0.799 . . . . 43.47 108.844 178.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 264' ' ' SER . . . . . . . . . . . . . 1.3 t -57.98 143.85 41.66 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.196 0.522 . . . . 50.89 110.77 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 265' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -83.61 -1.76 54.61 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.808 0.67 . . . . 41.44 112.808 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 266' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -82.17 106.97 7.37 Favored Pre-proline 0 C--O 1.238 0.465 0 N-CA-C 109.151 -0.685 . . . . 52.73 109.151 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 267' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.61 -7.03 19.27 Favored 'Trans proline' 0 C--O 1.237 0.467 0 N-CA-C 113.583 0.57 . . . . 46.96 113.583 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 268' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -105.61 13.02 30.52 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 118.502 0.592 . . . . 61.21 112.399 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 269' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.02 140.74 56.34 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.19 0.519 . . . . 43.7 110.895 -176.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 15.9 m -92.96 9.57 4.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.946 -0.57 . . . . 53.99 110.772 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -97.25 151.51 19.79 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 112.386 0.513 . . . . 92.57 112.386 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 272' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -76.65 155.83 33.11 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.59 1.181 . . . . 81.16 110.425 174.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 273' ' ' ILE . . . . . . . . . . . . . 68.8 mt -68.71 131.27 33.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 108.419 -0.956 . . . . 46.18 108.419 163.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 274' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -88.35 91.76 8.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 107.63 -1.248 . . . . 101.66 107.63 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 275' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -70.44 -17.77 63.0 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.033 0.753 . . . . 48.7 113.033 -173.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 276' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -133.28 53.9 1.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.501 0.591 . . . . 78.76 111.5 -167.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 277' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -69.46 -32.53 71.52 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 118.567 -1.253 . . . . 68.56 111.144 173.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 278' ' ' SER . . . . . . . . . . . . . 19.2 m -138.78 131.72 29.51 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.26 -0.644 . . . . 61.38 109.26 175.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 279' ' ' VAL . . . . . . . . . . . . . 4.8 t -119.86 118.27 56.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 107.142 -1.429 . . . . 53.22 107.142 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 19.5 mt -110.95 124.76 52.76 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 110.016 -0.365 . . . . 59.89 110.016 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 281' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -87.36 99.99 12.39 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.02 -1.474 . . . . 78.7 107.02 174.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 282' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.44 -23.52 30.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.375 -0.53 . . . . 67.6 111.275 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.84 -39.98 14.39 Favored 'General case' 0 C--O 1.208 -1.103 0 C-N-CA 116.047 -2.261 . . . . 96.3 108.571 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 284' ' ' ARG . . . . . 0.686 ' HG2' ' NH1' ' B' ' 284' ' ' ARG . 0.0 OUTLIER -75.49 -8.1 55.85 Favored 'General case' 0 C--O 1.193 -1.887 0 CA-C-O 117.23 -1.367 . . . . 99.24 112.263 -179.438 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 285' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 285' ' ' LEU . 13.6 mt -91.73 -48.02 7.04 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 120.201 1.364 . . . . 72.96 112.574 -177.387 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 286' ' ' GLY . . . . . . . . . . . . . . . 86.89 157.32 30.54 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-O 122.215 0.897 . . . . 62.34 111.337 -171.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 287' ' ' ARG . . . . . 0.508 ' HE ' HH21 ' B' ' 291' ' ' ARG . 0.2 OUTLIER -49.1 -65.17 0.61 Allowed 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 115.67 1.73 . . . . 104.37 115.67 -169.886 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 288' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -71.28 -34.76 70.97 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.724 -0.79 . . . . 96.06 112.096 -173.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 289' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.48 -30.99 69.0 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.856 -0.738 . . . . 91.24 111.14 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 290' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -62.13 -40.2 95.15 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.663 -0.415 . . . . 58.67 110.882 169.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 291' ' ' ARG . . . . . 0.508 HH21 ' HE ' ' B' ' 287' ' ' ARG . 15.0 mtt180 -68.86 -39.44 79.86 Favored 'General case' 0 C--O 1.176 -2.796 0 CA-C-O 118.158 -0.925 . . . . 110.41 111.129 -179.29 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 292' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -30.3 70.09 Favored 'General case' 0 C--O 1.189 -2.104 0 O-C-N 124.821 1.326 . . . . 91.85 108.079 -178.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -73.83 -42.16 61.27 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 123.722 0.639 . . . . 96.14 111.532 -177.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.07 -33.09 74.97 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.829 -0.748 . . . . 54.08 111.32 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 295' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -74.02 -31.37 62.9 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.247 -0.581 . . . . 90.66 111.424 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 296' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -38.08 86.17 Favored 'General case' 0 C--O 1.193 -1.883 0 N-CA-C 107.209 -1.404 . . . . 92.57 107.209 176.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 297' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -68.23 -38.47 81.89 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 119.344 -0.942 . . . . 53.88 111.367 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.46 96.83 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.147 -0.621 . . . . 53.1 110.953 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 15.5 ttp-105 -62.86 -36.43 83.24 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 121.065 -0.254 . . . . 97.96 111.024 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 300' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' B' ' 303' ' ' LEU . 65.0 m-20 -74.42 -14.3 60.83 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.78 0.659 . . . . 80.89 112.78 -178.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 301' ' ' MET . . . . . . . . . . . . . 64.5 mtm -82.81 -17.99 42.08 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.642 -0.823 . . . . 66.59 111.868 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 302' ' ' ARG . . . . . 0.978 ' O ' ' O ' ' B' ' 401' ' ' HOH . 6.9 mtt180 -87.93 59.86 5.56 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 122.613 1.197 . . . . 87.96 109.404 161.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 303' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' B' ' 300' ' ' ASP . 1.3 tt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 114.541 -1.209 . . . . 78.12 110.749 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 446' ' ' GLU . . . . . 0.515 ' OE1' ' NZ ' ' B' ' 146' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.194 -1.832 0 N-CA-C 106.927 -1.509 . . . . 68.58 106.927 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 447' ' ' GLY . . . . . . . . . . . . . . . -123.12 -4.27 8.53 Favored Glycine 0 C--O 1.196 -2.238 0 CA-C-O 116.685 -2.175 . . . . 76.16 115.613 -175.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 448' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -80.68 -45.01 17.87 Favored 'General case' 0 C--O 1.179 -2.617 0 C-N-CA 116.173 -2.211 . . . . 66.97 110.223 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 449' ' ' CYS . . . . . . . . . . . . . 3.2 m 65.24 33.82 8.92 Favored 'General case' 0 C--O 1.167 -3.254 0 O-C-N 125.249 1.593 . . . . 57.36 111.532 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 450' ' ' TYR . . . . . 0.585 ' OXT' ' O ' ' C' ' 501' ' ' HOH . 21.5 p90 . . . . . 0 C--O 1.177 -2.747 0 CA-C-O 113.657 -3.068 . . . . 56.83 104.536 172.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 401' ' ' HOH . . . . . 0.978 ' O ' ' O ' ' B' ' 302' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 402' ' ' HOH . . . . . 0.814 ' O ' ' OE2' ' B' ' 171' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 413' ' ' HOH . . . . . 0.508 ' O ' HG21 ' B' ' 161' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 501' ' ' HOH . . . . . 0.585 ' O ' ' OXT' ' C' ' 450' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.574 0.226 . . . . 98.4 110.894 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -31.5 59.49 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.771 -0.772 . . . . 85.57 110.336 164.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.07 -34.34 77.85 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.149 0.426 . . . . 110.23 112.149 172.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.714 ' CD ' HE21 ' A' ' 33' ' ' GLN . 2.2 tm0? -85.73 -39.93 16.66 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.261 -0.976 . . . . 103.66 111.949 -166.03 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -64.66 -20.34 66.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 118.795 -1.162 . . . . 79.64 111.081 172.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tp -83.22 -33.47 26.11 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.371 -0.532 . . . . 64.53 111.672 176.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -73.23 -31.57 64.21 Favored 'General case' 0 C--O 1.165 -3.362 0 N-CA-C 108.95 -0.759 . . . . 88.93 108.95 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.714 HE21 ' CD ' ' A' ' 29' ' ' GLN . 48.4 mt-30 -70.01 -41.91 73.7 Favored 'General case' 0 C--O 1.174 -2.894 0 CA-C-O 118.293 -0.86 . . . . 90.95 108.929 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -68.26 -42.55 79.47 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 123.852 0.72 . . . . 50.68 110.958 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -59.31 -40.93 87.76 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.31 -0.556 . . . . 69.06 110.954 174.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -66.21 -44.77 82.92 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.789 -0.364 . . . . 47.47 111.129 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.01 77.25 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.462 -0.495 . . . . 37.44 111.141 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -72.09 -36.65 69.55 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.272 -0.571 . . . . 57.08 111.296 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.67 -41.32 91.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 120.499 -0.481 . . . . 41.74 110.622 -179.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -75.08 -31.0 61.09 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.377 -0.929 . . . . 45.13 111.569 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.14 91.19 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.114 -0.634 . . . . 51.33 110.628 170.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.83 -45.35 82.62 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.357 -0.537 . . . . 48.39 111.266 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -55.92 -38.92 70.91 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.597 -0.441 . . . . 49.64 111.258 178.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -65.99 -44.15 85.69 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.666 -0.414 . . . . 94.96 111.203 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.27 -43.65 90.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.193 0.52 . . . . 69.3 110.331 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 70.2 mmm -70.41 -9.44 56.36 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.563 0.949 . . . . 71.82 113.563 -173.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 118.988 0.813 . . . . 75.89 110.793 177.809 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.59 ' HB2' ' CG2' ' B' ' 73' ' ' THR . 53.3 p-10 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.573 0.702 . . . . 85.61 110.132 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.16 -34.47 20.54 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 117.961 -1.019 . . . . 105.96 110.973 -177.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.72 -57.69 11.34 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 118.558 0.617 . . . . 93.87 111.315 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' THR . . . . . 0.61 ' HA ' ' NH2' ' B' ' 76' ' ' ARG . 1.3 t -50.72 -42.78 57.56 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.234 -0.586 . . . . 82.26 112.058 173.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -62.03 -48.02 82.16 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.78 -0.368 . . . . 75.67 111.246 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -74.6 -15.6 60.82 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.879 -0.729 . . . . 102.46 112.526 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ARG . . . . . 0.61 ' NH2' ' HA ' ' B' ' 73' ' ' THR . 3.6 ttp180 -64.98 -51.83 59.57 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 104.911 -2.255 . . . . 99.11 104.911 173.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 36.2 ttp -53.81 -46.07 70.99 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 125.296 1.623 . . . . 75.59 111.293 -175.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -73.45 -33.83 65.08 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.196 -0.601 . . . . 71.83 111.229 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -67.62 -34.66 77.42 Favored 'General case' 0 C--O 1.185 -2.325 0 C-N-CA 118.854 -1.139 . . . . 94.17 108.4 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.434 ' CD2' HD13 ' B' ' 84' ' ' ILE . 33.8 t60 -72.61 -31.68 65.35 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.406 -0.917 . . . . 73.64 111.156 -179.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.37 -38.82 82.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 120.832 0.349 . . . . 76.27 110.509 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.455 ' HA ' ' HA3' ' B' ' 88' ' ' GLY . . . -55.04 -32.04 61.56 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 122.018 -0.426 . . . . 85.48 111.274 178.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -78.14 -52.61 8.45 Favored 'General case' 0 C--O 1.194 -1.818 0 C-N-CA 117.755 -1.578 . . . . 91.75 110.371 -179.817 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.434 HD13 ' CD2' ' B' ' 80' ' ' HIS . 4.6 pt -79.62 -37.18 18.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 O-C-N 124.561 1.163 . . . . 89.33 112.035 -160.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -72.94 144.87 85.81 Favored Pre-proline 0 N--CA 1.453 -0.305 0 O-C-N 121.347 -0.845 . . . . 86.8 109.821 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.02 -56.88 2.66 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 120.454 0.769 . . . . 95.8 112.514 176.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ASP . . . . . 0.513 ' OD1' ' HB2' ' B' ' 90' ' ' LYS . 18.5 t0 -104.71 67.06 0.8 Allowed 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 113.6 -1.637 . . . . 107.2 107.786 178.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' B' ' 82' ' ' ALA . . . -56.21 -49.88 65.38 Favored Glycine 0 N--CA 1.476 1.359 0 N-CA-C 116.531 1.372 . . . . 93.29 116.531 -175.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -43.89 53.88 Favored 'General case' 0 C--O 1.194 -1.851 0 CA-C-N 117.651 0.726 . . . . 114.26 112.487 -173.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LYS . . . . . 0.513 ' HB2' ' OD1' ' B' ' 87' ' ' ASP . 0.0 OUTLIER -63.77 -25.94 68.41 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 117.338 -1.745 . . . . 77.73 108.79 -177.051 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 1.9 t -70.63 -42.91 77.95 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.562 0 C-N-CA 118.698 -1.201 . . . . 76.7 109.875 -175.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.2 96.49 Favored 'General case' 0 C--O 1.192 -1.938 0 O-C-N 124.755 1.284 . . . . 64.97 108.885 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' B' ' 93' ' ' GLN . 22.6 tp60 -55.63 -51.6 66.65 Favored 'General case' 0 C--O 1.192 -1.951 0 N-CA-C 109.552 -0.536 . . . . 61.81 109.552 -179.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -35.57 81.2 Favored 'General case' 0 C--O 1.198 -1.621 0 C-N-CA 119.165 -1.014 . . . . 59.95 112.745 -174.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 62.8 mt -83.81 -48.14 17.37 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.938 0 C-N-CA 120.201 -0.6 . . . . 57.15 110.093 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -65.03 -31.44 72.67 Favored 'General case' 0 C--O 1.179 -2.658 0 CA-C-O 117.766 -1.112 . . . . 72.79 110.606 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.43 -6.52 80.75 Favored Glycine 0 C--N 1.315 -0.594 0 N-CA-C 115.619 1.008 . . . . 54.77 115.619 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.91 127.26 32.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 117.876 0.838 . . . . 60.59 110.497 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.3 p -82.07 -33.77 29.72 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.224 0.453 . . . . 73.14 112.224 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -110.01 117.02 32.66 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.994 -0.743 . . . . 85.81 108.994 177.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.88 148.33 48.31 Favored Pre-proline 0 N--CA 1.447 -0.603 0 C-N-CA 123.563 0.745 . . . . 65.46 109.805 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.68 119.39 6.53 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 CA-C-O 122.0 0.75 . . . . 71.93 110.548 170.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.48 126.93 30.87 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 105.384 -2.08 . . . . 102.14 105.384 175.035 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 13.5 mm -94.37 122.96 60.05 Favored Pre-proline 0 C--O 1.241 0.651 0 C-N-CA 118.272 -1.371 . . . . 78.54 108.166 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.74 138.94 60.7 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 120.394 0.729 . . . . 66.42 111.028 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 10.1 mt -76.54 124.53 87.9 Favored Pre-proline 0 C--O 1.241 0.608 0 N-CA-C 108.856 -0.794 . . . . 64.51 108.856 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.58 139.34 53.0 Favored 'Trans proline' 0 C--N 1.332 -0.325 0 C-N-CA 120.188 0.592 . . . . 56.99 111.488 -177.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.6 t -82.79 129.31 34.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.376 -0.829 . . . . 67.84 109.964 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.403 HG21 HG23 ' B' ' 161' ' ' THR . 88.1 t -66.8 128.26 93.79 Favored Pre-proline 0 C--O 1.246 0.885 0 N-CA-C 109.118 -0.697 . . . . 56.2 109.118 178.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.17 130.56 16.62 Favored 'Trans proline' 0 C--N 1.332 -0.336 0 CA-C-N 118.969 0.668 . . . . 49.47 111.491 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 49.7 p -125.16 147.11 49.18 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.5 -0.926 . . . . 52.9 108.5 173.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -124.87 137.97 54.27 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.121 -0.491 . . . . 51.3 112.067 -164.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -66.82 152.31 95.74 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.891 . . . . 82.19 109.409 166.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -66.76 -14.13 42.63 Favored 'Trans proline' 0 C--O 1.237 0.451 0 N-CA-C 113.326 0.471 . . . . 52.16 113.326 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 4.1 p -81.69 -19.28 41.89 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.768 0.655 . . . . 53.75 112.768 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 87.1 m -68.12 122.81 85.5 Favored Pre-proline 0 C--O 1.238 0.472 0 CA-C-N 118.087 0.403 . . . . 49.17 110.269 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.66 148.43 90.3 Favored 'Trans proline' 0 C--O 1.234 0.278 0 CA-C-N 119.307 0.788 . . . . 42.97 110.872 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 33.3 t -56.25 -40.9 88.16 Favored Pre-proline 0 C--O 1.241 0.626 0 CA-C-N 115.306 -0.861 . . . . 44.46 111.583 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -58.05 -39.54 84.96 Favored 'Trans proline' 0 N--CA 1.476 0.464 0 CA-C-N 120.669 1.275 . . . . 42.53 114.147 176.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.44 -33.2 73.78 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.539 -0.864 . . . . 79.38 111.473 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -61.45 -43.49 98.77 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.6 -0.44 . . . . 52.63 110.839 174.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.13 -41.2 99.27 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.781 -0.368 . . . . 49.76 111.339 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -57.67 -37.65 73.78 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.302 -0.559 . . . . 81.73 110.947 174.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.85 -36.83 67.52 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.713 -0.395 . . . . 38.6 111.437 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.37 -43.9 97.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 120.38 -0.528 . . . . 36.2 110.282 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLN . . . . . 0.528 ' NE2' ' CE ' ' B' ' 227' ' ' MET . 73.6 tp60 -65.93 -36.67 84.01 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 122.01 -0.431 . . . . 41.93 111.277 -179.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -63.31 -43.13 98.7 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.31 -0.556 . . . . 77.86 111.241 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -60.65 -45.15 95.16 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.468 -0.493 . . . . 41.29 110.934 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 26.3 mt -60.04 -39.25 79.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 120.901 0.381 . . . . 41.83 110.466 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' ARG . . . . . 0.526 ' HD3' ' HE1' ' B' ' 227' ' ' MET . 52.0 mmm-85 -65.54 -37.15 85.9 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 121.873 -0.517 . . . . 68.24 111.487 178.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.66 -37.09 75.23 Favored 'General case' 0 C--O 1.182 -2.466 0 CA-C-O 117.186 -1.388 . . . . 81.03 111.312 -177.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.37 -25.58 67.99 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 119.04 0.836 . . . . 41.67 111.386 177.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 75.77 154.37 0.15 Allowed 'General case' 0 C--O 1.166 -3.294 0 C-N-CA 126.51 1.924 . . . . 54.18 112.208 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -71.4 141.48 50.33 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 123.696 0.623 . . . . 65.76 110.27 174.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -83.27 102.34 11.87 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.056 -0.72 . . . . 44.14 109.056 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -95.4 -3.12 47.62 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.855 0.687 . . . . 53.27 112.855 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' THR . . . . . . . . . . . . . 29.8 p -67.96 -17.4 64.43 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.941 0.719 . . . . 53.16 112.941 -172.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.85 4.04 90.42 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-O 119.126 -0.819 . . . . 57.64 114.763 -174.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' THR . . . . . . . . . . . . . 17.9 m -128.78 121.9 29.37 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.336 1.068 . . . . 60.34 108.477 177.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -84.59 128.23 34.49 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.776 -0.454 . . . . 74.93 109.776 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -91.33 -13.96 31.61 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.407 0.892 . . . . 56.65 113.407 -174.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -134.87 93.21 2.99 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 107.378 -1.341 . . . . 56.3 107.378 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.37 140.73 48.61 Favored 'General case' 0 C--O 1.164 -3.411 0 CA-C-O 118.653 -0.689 . . . . 90.74 109.339 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 73.3 mt -126.88 111.34 25.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.557 -0.905 . . . . 57.17 108.557 -173.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -86.12 108.04 18.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.025 -1.102 . . . . 80.37 108.025 170.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' LYS . . . . . 0.515 ' NZ ' ' OE1' ' C' ' 446' ' ' GLU . 14.6 mttt -61.18 -14.84 28.11 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.922 0.712 . . . . 63.77 112.922 -172.35 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' SER . . . . . . . . . . . . . 34.9 p -88.78 -1.47 58.1 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.931 0.715 . . . . 58.57 112.931 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -66.1 148.32 98.45 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 118.365 0.53 . . . . 46.17 110.016 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -62.98 160.45 33.77 Favored 'Trans proline' 0 C--N 1.332 -0.318 0 N-CA-C 110.257 -0.709 . . . . 45.9 110.257 173.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.63 -40.18 82.61 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.316 -0.856 . . . . 54.0 111.39 -177.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 8.9 t -64.92 -26.09 68.16 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.907 -0.717 . . . . 44.29 111.63 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' GLY . . . . . . . . . . . . . . . -73.36 -42.36 42.15 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 119.884 -1.151 . . . . 43.08 112.174 173.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.06 -28.72 66.78 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.247 -0.561 . . . . 50.18 111.703 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' MET . . . . . . . . . . . . . 36.9 mmt -75.0 -32.15 61.57 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.054 -0.659 . . . . 45.55 111.634 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -58.85 -39.42 81.24 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.162 -0.615 . . . . 73.99 110.814 169.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 42.3 tp -72.2 -37.72 69.19 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.95 -0.3 . . . . 61.67 111.163 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.24 90.53 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.371 -0.532 . . . . 39.44 111.135 175.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -61.72 -35.81 79.14 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.407 -0.517 . . . . 69.64 111.307 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.24 -32.63 58.98 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.426 -0.91 . . . . 104.41 111.638 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' MET . . . . . . . . . . . . . 59.3 mtt -56.0 -39.15 71.45 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.871 -0.731 . . . . 60.68 110.348 167.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' THR . . . . . 0.508 HG21 ' O ' ' B' ' 413' ' ' HOH . 1.8 m -63.42 -34.52 77.91 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.374 -0.376 . . . . 48.46 111.454 178.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -89.07 -36.57 15.69 Favored 'General case' 0 C--O 1.181 -2.543 0 CA-C-O 116.994 -1.479 . . . . 77.58 111.565 -178.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -76.31 -39.9 52.92 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 124.152 0.908 . . . . 85.31 111.579 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' ALA . . . . . . . . . . . . . . . 56.81 67.3 1.01 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 122.5 1.143 . . . . 42.93 111.121 174.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' LEU . . . . . . . . . . . . . 90.0 mt -122.42 162.57 37.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 114.15 -1.386 . . . . 39.48 109.754 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -57.78 154.67 36.33 Favored 'Trans proline' 0 C--O 1.232 0.207 0 CA-C-O 121.921 0.717 . . . . 40.16 112.05 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' ILE . . . . . . . . . . . . . 37.1 pt -140.37 167.86 17.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.232 -0.894 . . . . 48.25 109.385 -172.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -120.22 -167.31 1.43 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.438 -0.801 . . . . 72.52 109.318 176.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' CYS . . . . . . . . . . . . . 27.0 p -66.27 -44.36 83.81 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.429 -0.508 . . . . 47.22 112.0 -166.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.1 -42.38 84.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.222 -0.591 . . . . 42.72 111.538 -175.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 171' ' ' GLU . . . . . 0.814 ' OE2' ' O ' ' B' ' 402' ' ' HOH . 2.4 mt-10 -61.93 -34.47 76.14 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.504 -0.478 . . . . 67.26 111.659 178.138 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 172' ' ' ALA . . . . . . . . . . . . . . . -69.1 -30.95 69.34 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.518 -0.473 . . . . 38.2 111.773 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 42.5 t -63.74 -44.92 98.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.031 0.443 . . . . 36.16 110.255 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 174' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.73 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.065 0.46 . . . . 43.87 110.237 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 3.1 mt -61.11 -42.84 99.26 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.086 -0.384 . . . . 49.49 111.316 175.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -60.02 -35.2 86.57 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.292 -0.956 . . . . 35.29 113.125 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 177' ' ' ILE . . . . . . . . . . . . . 75.2 mt -71.62 -49.01 49.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 117.246 0.523 . . . . 39.79 110.368 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 178' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -49.91 -43.67 49.79 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.944 0.402 . . . . 42.26 111.442 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.05 -12.34 57.25 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 113.624 0.972 . . . . 35.11 113.624 -174.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 81.6 p -113.22 7.21 17.76 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 119.207 0.912 . . . . 39.68 113.143 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 181' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -64.77 -22.88 67.08 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.613 -0.835 . . . . 39.94 111.794 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' SER . . . . . . . . . . . . . 75.0 p -78.88 3.74 16.07 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.133 0.79 . . . . 43.06 113.133 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 183' ' ' MET . . . . . . . . . . . . . 31.7 mtt -119.75 80.85 24.79 Favored Pre-proline 0 C--O 1.241 0.637 0 N-CA-C 108.454 -0.943 . . . . 44.44 108.454 -177.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 184' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.21 -23.63 52.23 Favored 'Trans proline' 0 C--O 1.237 0.447 0 N-CA-C 114.212 0.812 . . . . 43.35 114.212 -176.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 60.2 p -78.69 -0.79 31.52 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.164 0.893 . . . . 48.6 112.593 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 186' ' ' LEU . . . . . . . . . . . . . 27.8 tp -105.55 123.27 47.62 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.059 -0.719 . . . . 43.01 109.059 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -90.24 133.44 34.93 Favored 'General case' 0 C--O 1.189 -2.09 0 CA-C-O 117.859 -1.067 . . . . 94.22 108.818 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 188' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.74 141.72 51.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.113 0.883 . . . . 35.84 109.546 179.523 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 189' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -159.23 138.22 8.07 Favored Pre-proline 0 C--O 1.238 0.492 0 C-N-CA 119.906 -0.718 . . . . 49.41 110.077 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 190' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -75.9 143.18 26.03 Favored 'Trans proline' 0 C--O 1.234 0.307 0 CA-C-N 118.771 0.597 . . . . 37.95 112.234 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 191' ' ' ILE . . . . . . . . . . . . . 36.4 mt -130.48 116.03 33.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 106.764 -1.569 . . . . 39.26 106.764 171.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' SER . . . . . . . . . . . . . 53.1 p -114.71 146.86 40.44 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.141 0.496 . . . . 49.69 110.174 176.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -121.27 142.14 50.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.65 -0.705 . . . . 42.36 110.809 -176.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -115.96 115.7 26.63 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.403 -1.332 . . . . 57.7 107.403 167.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 195' ' ' THR . . . . . . . . . . . . . 66.1 p -120.64 158.71 26.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.713 0.768 . . . . 44.43 110.525 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 196' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -117.92 142.57 47.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 114.894 -1.048 . . . . 50.39 109.349 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 197' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -161.75 123.72 2.88 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.702 -0.481 . . . . 50.35 109.702 173.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 198' ' ' SER . . . . . . . . . . . . . 2.9 t 51.62 45.96 27.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.905 0.86 . . . . 56.66 111.537 170.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 199' ' ' GLY . . . . . . . . . . . . . . . 82.45 1.2 90.42 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 115.743 1.057 . . . . 50.25 115.743 176.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 200' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -119.58 149.75 41.43 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.799 1.299 . . . . 55.85 110.71 -176.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -103.61 144.96 30.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.289 -0.869 . . . . 66.71 110.142 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -132.71 132.27 42.15 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.375 -0.829 . . . . 44.73 108.839 -174.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -118.9 133.49 55.8 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.512 -0.551 . . . . 79.23 109.512 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -143.47 154.95 44.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.642 -1.244 . . . . 38.05 107.642 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' ILE . . . . . . . . . . . . . 14.6 tt -148.49 142.27 18.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 108.839 -0.8 . . . . 42.73 108.839 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' VAL . . . . . . . . . . . . . 21.2 m -131.95 173.22 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.08 -1.082 . . . . 38.22 108.08 175.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 42.8 tp -103.53 105.75 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.314 -0.995 . . . . 34.88 108.314 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -67.91 142.82 40.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 119.893 -1.146 . . . . 37.86 110.462 171.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' VAL . . . . . . . . . . . . . 19.6 m -135.77 147.05 28.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.511 0.672 . . . . 39.89 109.294 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -125.58 127.76 46.88 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.196 -1.039 . . . . 61.91 108.196 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -133.76 128.88 35.76 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.555 -0.535 . . . . 47.76 109.555 172.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . 48.23 44.3 19.5 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.79 0.681 . . . . 45.34 111.501 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' GLY . . . . . . . . . . . . . . . 82.2 1.5 90.38 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.599 0.999 . . . . 51.21 115.599 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -117.3 154.29 31.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 118.739 1.27 . . . . 91.48 111.01 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -113.77 146.61 39.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.464 -0.789 . . . . 54.47 111.045 -170.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' GLY . . . . . . . . . . . . . . . -155.07 -167.5 16.84 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 109.723 -1.351 . . . . 42.46 109.723 178.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -155.76 142.94 19.21 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.303 -0.959 . . . . 42.25 110.712 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' LEU . . . . . . . . . . . . . 54.3 mt -111.93 149.79 31.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 114.873 -1.058 . . . . 43.62 108.744 165.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' GLY . . . . . . . . . . . . . . . 178.54 -178.13 48.59 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 118.745 -1.693 . . . . 37.22 111.631 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' MET . . . . . . . . . . . . . 41.2 tpp -132.92 128.27 36.14 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 107.769 -1.197 . . . . 57.06 107.769 173.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' SER . . . . . . . . . . . . . 32.3 t -144.6 164.81 29.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.737 0.78 . . . . 44.02 109.754 -177.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -77.23 -15.9 59.27 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.782 -1.099 . . . . 69.63 111.671 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -116.05 142.25 47.04 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.423 0.689 . . . . 59.56 110.046 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -67.08 -33.99 76.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.714 -0.676 . . . . 85.19 112.398 -176.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.03 13.12 21.73 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.177 0.806 . . . . 89.14 113.177 -176.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' LEU . . . . . . . . . . . . . 79.6 mt -115.42 22.77 12.95 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.376 0.534 . . . . 47.04 112.374 173.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' MET . . . . . 0.528 ' CE ' ' NE2' ' B' ' 126' ' ' GLN . 3.5 ptm -133.87 -83.56 0.45 Allowed 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.023 -0.671 . . . . 73.48 112.594 176.553 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -82.36 124.58 30.14 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 122.095 -0.378 . . . . 60.28 111.233 -169.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -127.27 122.03 22.81 Favored Pre-proline 0 C--O 1.243 0.714 0 N-CA-C 108.049 -1.093 . . . . 45.26 108.049 166.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -64.48 148.84 90.73 Favored 'Trans proline' 0 CA--C 1.499 -1.229 0 CA-C-N 119.488 0.853 . . . . 46.91 110.466 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -70.61 75.85 1.53 Allowed 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 120.162 0.575 . . . . 51.11 112.76 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -120.55 -19.99 7.3 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.259 1.207 . . . . 50.43 114.259 -177.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -66.76 135.32 53.79 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.784 0.72 . . . . 52.59 110.167 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -80.35 -20.32 44.44 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.006 0.743 . . . . 103.89 113.006 -174.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' THR . . . . . . . . . . . . . 43.5 p -136.17 161.55 35.43 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.438 0.637 . . . . 51.23 109.591 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.72 -35.85 81.91 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.294 -0.866 . . . . 42.76 111.058 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' SER . . . . . . . . . . . . . 20.6 m -55.39 -47.91 75.14 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.79 0.329 . . . . 58.16 111.15 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.17 -37.61 83.53 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.355 -0.538 . . . . 82.61 111.379 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.26 -46.38 83.97 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.427 -0.509 . . . . 46.21 111.131 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.98 -40.03 78.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 120.601 -0.44 . . . . 40.83 110.682 -176.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 241' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.54 -27.68 67.16 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.286 -0.566 . . . . 48.64 111.74 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -61.06 -43.99 98.05 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.333 -0.547 . . . . 65.41 110.646 171.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 243' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -63.78 -40.8 97.54 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.578 -0.449 . . . . 40.87 111.31 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -61.75 -44.62 96.55 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.952 -0.699 . . . . 64.91 110.937 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 245' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.42 87.72 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.518 -0.473 . . . . 50.92 111.113 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.66 98.06 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.597 -0.441 . . . . 44.48 111.255 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 247' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -61.9 -40.07 94.17 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.384 -0.526 . . . . 43.59 111.049 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . -66.32 -29.91 75.73 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.535 -0.84 . . . . 43.15 113.645 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 249' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -65.19 -22.92 66.96 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.981 -0.688 . . . . 54.85 111.8 -178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 250' ' ' CYS . . . . . 0.429 ' HA ' ' CE3' ' B' ' 251' ' ' TRP . 86.1 m -112.66 25.24 11.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 118.025 0.375 . . . . 55.6 111.484 175.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 251' ' ' TRP . . . . . 0.429 ' CE3' ' HA ' ' B' ' 250' ' ' CYS . 14.2 m-90 71.69 20.75 4.55 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.057 1.343 . . . . 83.58 112.755 164.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 252' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -88.67 133.54 34.18 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.254 0.622 . . . . 46.24 110.331 172.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 253' ' ' VAL . . . . . . . . . . . . . 84.6 t -92.97 132.96 35.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.869 -0.789 . . . . 53.97 108.869 171.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 68.2 tp -83.68 114.82 21.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.755 -0.832 . . . . 45.87 108.755 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 255' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -93.69 -43.92 8.42 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.674 0.62 . . . . 77.93 112.674 -177.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -151.91 143.34 23.43 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 119.886 -0.726 . . . . 80.09 110.767 -172.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 94.5 t -123.74 125.14 70.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 107.35 -1.352 . . . . 43.49 107.35 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 258' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -111.62 121.85 46.23 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.904 -1.146 . . . . 73.84 107.904 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 259' ' ' LEU . . . . . . . . . . . . . 1.6 mp -118.01 129.52 55.63 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.404 -0.591 . . . . 53.85 109.404 -176.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -93.99 175.93 35.61 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-O 121.996 0.776 . . . . 40.63 112.972 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 261' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -84.14 163.52 19.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.586 0.707 . . . . 62.5 110.377 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 262' ' ' SER . . . . . . . . . . . . . 1.2 m -48.72 141.26 7.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.224 -0.898 . . . . 61.86 110.288 173.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 263' ' ' VAL . . . . . . . . . . . . . 51.4 t -94.67 130.63 43.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 108.844 -0.799 . . . . 43.47 108.844 178.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 264' ' ' SER . . . . . . . . . . . . . 1.3 t -57.98 143.85 41.66 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.196 0.522 . . . . 50.89 110.77 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 265' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -83.61 -1.76 54.61 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.808 0.67 . . . . 41.44 112.808 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 266' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -82.17 106.97 7.37 Favored Pre-proline 0 C--O 1.238 0.465 0 N-CA-C 109.151 -0.685 . . . . 52.73 109.151 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 267' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.61 -7.03 19.27 Favored 'Trans proline' 0 C--O 1.237 0.467 0 N-CA-C 113.583 0.57 . . . . 46.96 113.583 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 268' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -105.61 13.02 30.52 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 118.502 0.592 . . . . 61.21 112.399 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 269' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.02 140.74 56.34 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.19 0.519 . . . . 43.7 110.895 -176.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 15.9 m -92.96 9.57 4.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.946 -0.57 . . . . 53.99 110.772 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -97.25 151.51 19.79 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 112.386 0.513 . . . . 92.57 112.386 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 272' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -76.65 155.83 33.11 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.59 1.181 . . . . 81.16 110.425 174.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 273' ' ' ILE . . . . . . . . . . . . . 68.8 mt -68.71 131.27 33.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 108.419 -0.956 . . . . 46.18 108.419 163.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 274' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -88.35 91.76 8.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 107.63 -1.248 . . . . 101.66 107.63 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 275' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -70.44 -17.77 63.0 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.033 0.753 . . . . 48.7 113.033 -173.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 276' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -133.28 53.9 1.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.501 0.591 . . . . 78.76 111.5 -167.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 277' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -69.46 -32.53 71.52 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 118.567 -1.253 . . . . 68.56 111.144 173.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 278' ' ' SER . . . . . . . . . . . . . 19.2 m -138.78 131.72 29.51 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.26 -0.644 . . . . 61.38 109.26 175.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 279' ' ' VAL . . . . . . . . . . . . . 4.8 t -119.86 118.27 56.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 107.142 -1.429 . . . . 53.22 107.142 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 19.5 mt -110.95 124.76 52.76 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 110.016 -0.365 . . . . 59.89 110.016 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 281' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -87.36 99.99 12.39 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.02 -1.474 . . . . 78.7 107.02 174.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 282' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.44 -23.52 30.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.375 -0.53 . . . . 67.6 111.275 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.84 -39.98 14.39 Favored 'General case' 0 C--O 1.208 -1.103 0 C-N-CA 116.047 -2.261 . . . . 96.3 108.571 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 284' ' ' ARG . . . . . 0.686 ' HG2' ' NH1' ' B' ' 284' ' ' ARG . 0.0 OUTLIER -75.49 -8.1 55.85 Favored 'General case' 0 C--O 1.193 -1.887 0 CA-C-O 117.23 -1.367 . . . . 99.24 112.263 -179.438 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 285' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 285' ' ' LEU . 13.6 mt -91.73 -48.02 7.04 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 120.201 1.364 . . . . 72.96 112.574 -177.387 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 286' ' ' GLY . . . . . . . . . . . . . . . 86.89 157.32 30.54 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-O 122.215 0.897 . . . . 62.34 111.337 -171.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 287' ' ' ARG . . . . . 0.508 ' HE ' HH21 ' B' ' 291' ' ' ARG . 0.2 OUTLIER -49.1 -65.17 0.61 Allowed 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 115.67 1.73 . . . . 104.37 115.67 -169.886 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 288' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -71.28 -34.76 70.97 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.724 -0.79 . . . . 96.06 112.096 -173.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 289' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.48 -30.99 69.0 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.856 -0.738 . . . . 91.24 111.14 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 290' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -62.13 -40.2 95.15 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.663 -0.415 . . . . 58.67 110.882 169.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 291' ' ' ARG . . . . . 0.508 HH21 ' HE ' ' B' ' 287' ' ' ARG . 15.0 mtt180 -68.86 -39.44 79.86 Favored 'General case' 0 C--O 1.176 -2.796 0 CA-C-O 118.158 -0.925 . . . . 110.41 111.129 -179.29 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 292' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -30.3 70.09 Favored 'General case' 0 C--O 1.189 -2.104 0 O-C-N 124.821 1.326 . . . . 91.85 108.079 -178.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -73.83 -42.16 61.27 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 123.722 0.639 . . . . 96.14 111.532 -177.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.07 -33.09 74.97 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.829 -0.748 . . . . 54.08 111.32 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 295' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -74.02 -31.37 62.9 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.247 -0.581 . . . . 90.66 111.424 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 296' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -38.08 86.17 Favored 'General case' 0 C--O 1.193 -1.883 0 N-CA-C 107.209 -1.404 . . . . 92.57 107.209 176.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 297' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -68.23 -38.47 81.89 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 119.344 -0.942 . . . . 53.88 111.367 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.46 96.83 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.147 -0.621 . . . . 53.1 110.953 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 15.5 ttp-105 -62.86 -36.43 83.24 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 121.065 -0.254 . . . . 97.96 111.024 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 300' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' B' ' 303' ' ' LEU . 65.0 m-20 -74.42 -14.3 60.83 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.78 0.659 . . . . 80.89 112.78 -178.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' MET . . . . . . . . . . . . . 64.5 mtm -82.81 -17.99 42.08 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.642 -0.823 . . . . 66.59 111.868 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' ARG . . . . . 0.978 ' O ' ' O ' ' B' ' 401' ' ' HOH . 6.9 mtt180 -87.93 59.86 5.56 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 122.613 1.197 . . . . 87.96 109.404 161.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' B' ' 300' ' ' ASP . 1.3 tt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 114.541 -1.209 . . . . 78.12 110.749 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 446' ' ' GLU . . . . . 0.515 ' OE1' ' NZ ' ' B' ' 146' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.194 -1.832 0 N-CA-C 106.927 -1.509 . . . . 68.58 106.927 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 447' ' ' GLY . . . . . . . . . . . . . . . -123.12 -4.27 8.53 Favored Glycine 0 C--O 1.196 -2.238 0 CA-C-O 116.685 -2.175 . . . . 76.16 115.613 -175.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 448' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -80.68 -45.01 17.87 Favored 'General case' 0 C--O 1.179 -2.617 0 C-N-CA 116.173 -2.211 . . . . 66.97 110.223 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 449' ' ' CYS . . . . . . . . . . . . . 3.2 m 65.24 33.82 8.92 Favored 'General case' 0 C--O 1.167 -3.254 0 O-C-N 125.249 1.593 . . . . 57.36 111.532 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 450' ' ' TYR . . . . . 0.585 ' OXT' ' O ' ' C' ' 501' ' ' HOH . 21.5 p90 . . . . . 0 C--O 1.177 -2.747 0 CA-C-O 113.657 -3.068 . . . . 56.83 104.536 172.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 401' ' ' HOH . . . . . 0.978 ' O ' ' O ' ' B' ' 302' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 402' ' ' HOH . . . . . 0.814 ' O ' ' OE2' ' B' ' 171' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 413' ' ' HOH . . . . . 0.508 ' O ' HG21 ' B' ' 161' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 501' ' ' HOH . . . . . 0.585 ' O ' ' OXT' ' C' ' 450' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_