data_4r9w_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4r9w _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.941 0.401 . . . . 130.13 111.24 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -122.67 52.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.059 -1.089 . . . . 190.47 108.059 177.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.5 m -86.04 167.79 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.046 0.758 . . . . 154.69999999999999 113.046 -174.606 -76.267 -98.106 120.713 118.067 2.029 97.157 56.453 -168.866 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -77.72 -38.02 48.11 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.783 -1.192 . . . . 94.799999999999997 107.783 173.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.8 m -104.74 77.39 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.721 0.637 . . . . 125.20999999999999 112.721 -178.097 -66.152 -39.814 -91.01 111.317 2.029 75.171 -112.587 -60.846 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.86 -82.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.054 -1.091 . . . . 146.75999999999999 108.054 172.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -73.06 155.92 39.27 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.383 -1.71 . . . . 175.06999999999999 106.383 169.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . 0.523 ' OG1' ' OD1' ' A' ' 54' ' ' ASP . 1.7 t -135.75 160.59 38.06 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.904 -0.318 . . . . 101.17 111.261 -178.756 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.01 152.79 43.78 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.232 1.197 . . . . 124.69 114.232 -172.382 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 p -121.82 -18.81 6.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.496 -0.774 . . . . 115.36 112.466 -173.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -104.26 108.98 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 181.81999999999999 112.048 -178.376 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.4 p -154.26 147.38 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.444 -0.576 . . . . 99.519999999999996 109.444 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -85.45 110.06 26.45 Favored Pre-proline 0 C--N 1.332 -0.174 0 N-CA-C 109.952 -0.388 . . . . 141.31999999999999 109.952 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -54.9 -28.82 60.71 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.984 2.456 . . . . 80.120000000000005 113.336 -174.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -71.0 -18.06 62.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.78 0.324 . . . . 96.909999999999997 111.518 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.21 -4.61 59.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.325 . . . . 104.95 111.762 179.256 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.5 mt -92.11 125.16 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.762 0.653 . . . . 64.200000000000003 112.762 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -101.43 -26.04 13.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.207 -0.451 . . . . 78.310000000000002 111.666 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -158.14 151.06 22.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.418 0.525 . . . . 70.640000000000001 112.418 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -129.63 123.06 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.367 -0.975 . . . . 64.859999999999999 108.367 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -111.0 127.44 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.048 0.452 . . . . 85.700000000000003 110.897 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.1 t -99.65 110.98 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.294 -1.002 . . . . 64.599999999999994 108.294 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.1 mt -101.49 130.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.217 -0.66 . . . . 60.619999999999997 109.217 176.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . 0.651 ' NZ ' ' O3C' ' B' ' 201' ' ' NTO . 4.2 pttp -77.66 154.65 31.98 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 112.581 0.586 . . . . 104.61 112.581 -174.028 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.31 158.8 11.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.561 . . . . 72.390000000000001 110.932 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.0 -173.44 30.67 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.271 -0.732 . . . . 70.709999999999994 111.271 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -61.9 -20.59 69.93 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.332 2.022 . . . . 109.98999999999999 110.942 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -99.28 -19.42 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.267 0.84 . . . . 143.19999999999999 113.267 -178.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.1 t -137.95 110.55 8.58 Favored Pre-proline 0 C--N 1.33 -0.248 0 N-CA-C 111.708 0.262 . . . . 112.06999999999999 111.708 178.431 -168.866 56.453 120.713 97.157 2.029 118.067 -98.106 -76.267 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -55.87 -29.8 74.23 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 124.843 3.695 . . . . 100.16 113.85 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 p -120.62 161.7 20.91 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.786 0.661 . . . . 87.390000000000001 112.786 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.6 156.95 35.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.181 -1.044 . . . . 70.129999999999995 108.181 171.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -123.04 132.09 53.97 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.442 -0.503 . . . . 73.329999999999998 112.336 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 104' ' ' HOH . 55.4 mt -104.63 103.48 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 70.700000000000003 109.134 173.775 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.5 mm -102.5 117.7 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.826 -0.435 . . . . 52.810000000000002 109.826 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.09 133.47 48.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.687 0.279 . . . . 50.170000000000002 111.097 178.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 79.7 m -105.19 130.2 53.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.709 -0.849 . . . . 56.380000000000003 108.709 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 mt -94.01 173.8 7.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.386 -0.37 . . . . 67.040000000000006 111.727 -176.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -54.97 -44.05 74.04 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.95 0.352 . . . . 106.86 111.95 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -77.5 9.62 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.712 1.005 . . . . 87.319999999999993 113.712 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.7 -16.06 57.47 Favored Glycine 0 N--CA 1.452 -0.257 0 N-CA-C 114.726 0.65 . . . . 64.689999999999998 114.726 173.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -67.75 164.19 20.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 95.920000000000002 111.34 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -131.19 145.82 52.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 66.420000000000002 111.054 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.04 152.99 22.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 112.056 0.391 . . . . 79.390000000000001 112.056 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 77.7 m -90.26 121.09 31.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 70.290000000000006 111.311 -178.966 -60.846 -112.587 -91.01 75.171 2.029 111.317 -39.814 -66.152 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mp -83.78 143.4 29.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.405 0.52 . . . . 81.480000000000004 112.405 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . 0.523 ' OD1' ' OG1' ' A' ' 15' ' ' THR . 73.0 m-20 -60.3 133.95 56.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 135.84 109.635 172.673 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.99 -3.25 18.51 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.138 0.422 . . . . 122.66 112.138 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -55.21 156.81 3.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.248 -0.433 . . . . 159.66 111.409 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -68.94 0.67 Allowed Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 117.532 2.419 . . . . 176.43000000000001 117.532 -167.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.69 -10.05 24.61 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 118.293 -0.671 . . . . 168.47 113.666 -163.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.9 tp -66.23 -60.59 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.007 0.373 . . . . 143.75999999999999 112.007 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -85.09 -6.18 59.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.996 0.739 . . . . 126.68000000000001 112.996 -176.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -67.93 -55.52 12.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 132.34 110.163 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -66.69 -32.39 73.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 120.89 112.367 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.13 -52.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.714 0.635 . . . . 119.76000000000001 112.714 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.9 -36.92 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 112.482 0.549 . . . . 109.15000000000001 112.482 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -37.64 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 147.19999999999999 111.337 177.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -70.57 -22.51 62.57 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.927 0.394 . . . . 161.52000000000001 110.786 179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.97 -16.51 46.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.088 -0.505 . . . . 100.73 109.902 175.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.79 -1.31 37.95 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.681 0.993 . . . . 101.16 113.681 -175.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.044 0.449 . . . . 148.19 111.443 177.563 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 N-CA-C 112.463 0.542 . . . . 132.63999999999999 112.463 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 19.3 mt -131.93 141.81 49.45 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.555 0.576 . . . . 98.939999999999998 112.555 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -119.19 -175.04 2.84 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.177 -0.675 . . . . 127.33 109.177 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.57 150.21 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.765 0.317 . . . . 133.50999999999999 110.629 176.415 -60.797 -79.872 105.456 103.361 2.029 101.723 62.136 -170.66 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.31 -42.93 29.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 88.439999999999998 110.144 178.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 37.0 m -93.76 132.9 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.938 0.718 . . . . 100.73 112.938 -175.723 -51.837 -98.072 -87.909 87.246 2.028 118.513 -115.675 -61.368 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 m -91.62 -53.96 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.549 -0.296 . . . . 121.56 111.138 174.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.18 146.25 51.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.307 0.484 . . . . 135.84 112.307 175.512 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 51.9 p -72.0 174.34 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.975 -0.557 . . . . 124.69 110.104 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 40.8 p -129.26 164.89 22.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.075 -1.083 . . . . 128.21000000000001 108.075 171.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.6 m -119.01 -32.07 4.56 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.618 -0.433 . . . . 138.50999999999999 111.536 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -113.55 113.53 25.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.25 1.204 . . . . 160.13 114.25 -172.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 4.3 p -162.12 151.27 4.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.031 -1.1 . . . . 118.06999999999999 108.031 169.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -83.63 117.72 69.45 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 112.583 0.586 . . . . 217.88999999999999 112.583 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -51.27 -23.51 13.57 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 124.212 3.275 . . . . 131.63999999999999 112.843 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -66.03 -33.48 75.89 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.453 0.471 . . . . 155.00999999999999 110.518 174.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -77.51 -4.96 48.25 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.354 0.872 . . . . 144.88999999999999 113.354 -176.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 53.3 mt -95.96 124.66 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 113.487 0.921 . . . . 94.780000000000001 113.487 -174.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -107.33 -21.83 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.844 -0.616 . . . . 72.790000000000006 111.969 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 34.1 t -150.65 140.99 22.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.217 0.451 . . . . 64.75 112.217 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 38.0 tp -133.92 124.91 27.19 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.558 -0.534 . . . . 68.890000000000001 109.558 174.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -111.18 130.62 55.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 125.34 110.233 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.71 111.58 36.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.37 -0.604 . . . . 66.879999999999995 109.37 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.84 118.04 53.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.621 0.6 . . . . 80.930000000000007 112.621 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -61.24 149.72 36.87 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 123.645 0.778 . . . . 97.129999999999995 111.034 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 304' ' ' HOH . . . -61.37 138.98 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.851 -0.426 . . . . 115.79000000000001 109.851 173.341 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -142.52 -173.9 14.66 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 116.347 -0.388 . . . . 97.760000000000005 112.746 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.99 -22.31 73.72 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.65 2.233 . . . . 110.33 112.227 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . . . -103.37 5.83 37.45 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.613 0.597 . . . . 116.20999999999999 112.613 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' CYS . . . . . . . . . . . . . 34.0 t -166.21 115.53 0.77 Allowed Pre-proline 0 N--CA 1.466 0.335 0 C-N-CA 122.486 0.314 . . . . 121.29000000000001 111.136 175.31 -170.66 62.136 105.456 101.723 2.029 103.361 -79.872 -60.797 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.26 -28.16 40.32 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.823 2.349 . . . . 120.18000000000001 113.28 -174.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 1.1 t -110.14 156.99 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.125 0.417 . . . . 112.40000000000001 112.125 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.23 158.38 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.593 -0.521 . . . . 96.569999999999993 109.593 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -129.83 144.17 51.18 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.226 0.454 . . . . 81.049999999999997 112.226 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 78.8 mt -125.99 94.56 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 83.640000000000001 110.487 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.14 128.49 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.596 -0.275 . . . . 65.609999999999999 111.484 -176.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' ALA . . . . . . . . . . . . . . . -116.84 131.74 56.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.543 -0.299 . . . . 70.590000000000003 111.523 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 11.2 m -105.81 137.8 43.09 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.72 0.295 . . . . 78.430000000000007 110.989 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.07 163.83 13.21 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.181 -0.463 . . . . 79.25 111.642 -174.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -52.11 -35.62 48.63 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.637 0.977 . . . . 100.31 113.637 -176.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -87.23 0.72 54.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.271 1.211 . . . . 128.31 114.271 -176.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.03 -12.01 58.88 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.145 -0.55 . . . . 80.280000000000001 113.06 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' ARG . . . . . 0.559 ' NH1' ' O ' ' B' ' 303' ' ' HOH . 54.2 mtp180 -64.37 130.65 44.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.712 0.291 . . . . 135.50999999999999 111.29 178.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -113.24 135.72 53.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.24 -0.652 . . . . 85.379999999999995 109.24 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' ILE . . . . . . . . . . . . . 23.3 pt -137.41 165.26 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.546 -0.297 . . . . 83.530000000000001 110.888 -179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' CYS . . . . . . . . . . . . . 74.9 m -108.74 143.87 37.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.475 -0.329 . . . . 93.430000000000007 111.415 177.157 -61.368 -115.675 -87.909 118.513 2.028 87.246 -98.072 -51.837 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 19.6 mt -102.03 173.05 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 103.5 110.654 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -92.13 137.05 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.878 -0.601 . . . . 148.31 110.979 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.77 -38.69 46.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 115.87 110.733 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -89.92 50.22 1.84 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.098 -0.501 . . . . 153.22 111.797 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -147.07 152.45 43.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 N-CA-C 109.457 -0.571 . . . . 124.42 109.457 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.96 4.81 6.83 Favored 'Trans proline' 0 C--N 1.343 0.263 0 O-C-N 122.637 0.809 . . . . 164.81999999999999 111.429 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 38.9 tp -66.64 -40.83 88.87 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.395 0.517 . . . . 121.29000000000001 112.395 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -64.15 -32.79 74.5 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.751 -0.38 . . . . 109.36 110.221 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -67.39 -30.91 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.852 -0.613 . . . . 159.97999999999999 110.04 177.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -78.04 -43.02 30.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 142.08000000000001 110.353 179.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 43.5 mm -60.08 -49.23 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.93 -0.577 . . . . 90.400000000000006 110.684 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' ILE . . . . . . . . . . . . . 8.9 mt -61.68 -47.35 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.389 0.515 . . . . 90.780000000000001 112.389 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' LYS . . . . . 0.482 ' NZ ' ' OE2' ' B' ' 169' ' ' GLU . 57.2 tttm -60.43 -28.63 68.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 139.65000000000001 112.002 -179.027 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -77.47 -51.37 10.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.255 0.465 . . . . 101.20999999999999 112.255 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' LEU . . . . . 0.402 ' O ' ' OG ' ' B' ' 170' ' ' SER . 20.1 mt -53.39 -39.97 64.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.432 -0.349 . . . . 76.890000000000001 111.886 -178.13 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.42 -34.88 70.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 89.599999999999994 111.82 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' GLU . . . . . 0.482 ' OE2' ' NZ ' ' B' ' 165' ' ' LYS . 65.7 mt-10 -69.37 -26.91 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.992 0.367 . . . . 147.62 111.992 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 167' ' ' LEU . 88.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.05 0.452 . . . . 135.83000000000001 110.992 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' NTO . . . . . 0.651 ' O3C' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . 0.559 ' O ' ' NH1' ' B' ' 149' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . 0.441 ' O ' ' N ' ' B' ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.941 0.401 . . . . 130.13 111.24 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -122.67 52.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.059 -1.089 . . . . 190.47 108.059 177.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.5 m -86.04 167.79 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.046 0.758 . . . . 154.69999999999999 113.046 -174.606 -76.267 -98.106 120.713 118.067 2.029 97.157 56.453 -168.866 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -77.72 -38.02 48.11 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.783 -1.192 . . . . 94.799999999999997 107.783 173.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.8 m -104.74 77.39 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.721 0.637 . . . . 125.20999999999999 112.721 -178.097 -66.152 -39.814 -91.01 111.317 2.029 75.171 -112.587 -60.846 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.86 -82.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.054 -1.091 . . . . 146.75999999999999 108.054 172.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -73.06 155.92 39.27 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.383 -1.71 . . . . 175.06999999999999 106.383 169.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -135.75 160.59 38.06 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.904 -0.318 . . . . 101.17 111.261 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.01 152.79 43.78 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.232 1.197 . . . . 124.69 114.232 -172.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 p -121.82 -18.81 6.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.496 -0.774 . . . . 115.36 112.466 -173.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -104.26 108.98 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 181.81999999999999 112.048 -178.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.4 p -154.26 147.38 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.444 -0.576 . . . . 99.519999999999996 109.444 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -85.45 110.06 26.45 Favored Pre-proline 0 C--N 1.332 -0.174 0 N-CA-C 109.952 -0.388 . . . . 141.31999999999999 109.952 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -54.9 -28.82 60.71 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.984 2.456 . . . . 80.120000000000005 113.336 -174.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' HG3' ' HD1' ' A' ' 23' ' ' HIS . 32.9 ptt-85 -71.0 -18.06 62.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.78 0.324 . . . . 96.909999999999997 111.518 178.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' HD1' ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -85.21 -4.61 59.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.325 . . . . 104.95 111.762 179.256 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.5 mt -92.11 125.16 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.762 0.653 . . . . 64.200000000000003 112.762 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -101.43 -26.04 13.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.207 -0.451 . . . . 78.310000000000002 111.666 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -158.14 151.06 22.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.418 0.525 . . . . 70.640000000000001 112.418 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -129.63 123.06 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.367 -0.975 . . . . 64.859999999999999 108.367 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -111.0 127.44 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.048 0.452 . . . . 85.700000000000003 110.897 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.1 t -99.65 110.98 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.294 -1.002 . . . . 64.599999999999994 108.294 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.1 mt -101.49 130.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.217 -0.66 . . . . 60.619999999999997 109.217 176.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . 0.651 ' NZ ' ' O3C' ' B' ' 201' ' ' NTO . 4.2 pttp -77.66 154.65 31.98 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 112.581 0.586 . . . . 104.61 112.581 -174.028 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.31 158.8 11.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.561 . . . . 72.390000000000001 110.932 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.0 -173.44 30.67 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.271 -0.732 . . . . 70.709999999999994 111.271 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -61.9 -20.59 69.93 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.332 2.022 . . . . 109.98999999999999 110.942 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -99.28 -19.42 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.267 0.84 . . . . 143.19999999999999 113.267 -178.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.1 t -137.95 110.55 8.58 Favored Pre-proline 0 C--N 1.33 -0.248 0 N-CA-C 111.708 0.262 . . . . 112.06999999999999 111.708 178.431 -168.866 56.453 120.713 97.157 2.029 118.067 -98.106 -76.267 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -55.87 -29.8 74.23 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 124.843 3.695 . . . . 100.16 113.85 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 p -120.62 161.7 20.91 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.786 0.661 . . . . 87.390000000000001 112.786 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.6 156.95 35.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.181 -1.044 . . . . 70.129999999999995 108.181 171.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -123.04 132.09 53.97 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.442 -0.503 . . . . 73.329999999999998 112.336 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 mt -104.63 103.48 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 70.700000000000003 109.134 173.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.5 mm -102.5 117.7 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.826 -0.435 . . . . 52.810000000000002 109.826 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HB3' HD12 ' A' ' 51' ' ' ILE . . . -104.09 133.47 48.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.687 0.279 . . . . 50.170000000000002 111.097 178.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 79.7 m -105.19 130.2 53.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.709 -0.849 . . . . 56.380000000000003 108.709 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 mt -94.01 173.8 7.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.386 -0.37 . . . . 67.040000000000006 111.727 -176.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -54.97 -44.05 74.04 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.95 0.352 . . . . 106.86 111.95 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -77.5 9.62 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.712 1.005 . . . . 87.319999999999993 113.712 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.7 -16.06 57.47 Favored Glycine 0 N--CA 1.452 -0.257 0 N-CA-C 114.726 0.65 . . . . 64.689999999999998 114.726 173.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -67.75 164.19 20.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 95.920000000000002 111.34 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -131.19 145.82 52.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 66.420000000000002 111.054 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . 0.401 HD12 ' HB3' ' A' ' 43' ' ' ALA . 1.2 pp -140.04 152.99 22.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 112.056 0.391 . . . . 79.390000000000001 112.056 172.956 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 77.7 m -90.26 121.09 31.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 70.290000000000006 111.311 -178.966 -60.846 -112.587 -91.01 75.171 2.029 111.317 -39.814 -66.152 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mp -83.78 143.4 29.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.405 0.52 . . . . 81.480000000000004 112.405 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.3 133.95 56.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 135.84 109.635 172.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.99 -3.25 18.51 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.138 0.422 . . . . 122.66 112.138 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -55.21 156.81 3.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.248 -0.433 . . . . 159.66 111.409 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -68.94 0.67 Allowed Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 117.532 2.419 . . . . 176.43000000000001 117.532 -167.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.69 -10.05 24.61 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 118.293 -0.671 . . . . 168.47 113.666 -163.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.9 tp -66.23 -60.59 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.007 0.373 . . . . 143.75999999999999 112.007 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -85.09 -6.18 59.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.996 0.739 . . . . 126.68000000000001 112.996 -176.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -67.93 -55.52 12.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 132.34 110.163 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -66.69 -32.39 73.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 120.89 112.367 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.13 -52.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.714 0.635 . . . . 119.76000000000001 112.714 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . 0.58 HD13 HD13 ' B' ' 164' ' ' ILE . 65.4 mt -55.9 -36.92 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 112.482 0.549 . . . . 109.15000000000001 112.482 -179.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -37.64 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 147.19999999999999 111.337 177.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -70.57 -22.51 62.57 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.927 0.394 . . . . 161.52000000000001 110.786 179.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.97 -16.51 46.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.088 -0.505 . . . . 100.73 109.902 175.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.79 -1.31 37.95 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.681 0.993 . . . . 101.16 113.681 -175.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.044 0.449 . . . . 148.19 111.443 177.563 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 N-CA-C 112.463 0.542 . . . . 132.63999999999999 112.463 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 19.3 mt -131.93 141.81 49.45 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.555 0.576 . . . . 98.939999999999998 112.555 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -119.19 -175.04 2.84 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.177 -0.675 . . . . 127.33 109.177 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.57 150.21 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.765 0.317 . . . . 133.50999999999999 110.629 176.415 -60.797 -79.872 105.456 103.361 2.029 101.723 62.136 -170.66 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.31 -42.93 29.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 88.439999999999998 110.144 178.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 37.0 m -93.76 132.9 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.938 0.718 . . . . 100.73 112.938 -175.723 -51.837 -98.072 -87.909 87.246 2.028 118.513 -115.675 -61.368 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' VAL . . . . . 0.614 HG23 ' HD3' ' B' ' 114' ' ' LYS . 2.3 m -91.62 -53.96 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.549 -0.296 . . . . 121.56 111.138 174.495 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 114' ' ' LYS . . . . . 0.614 ' HD3' HG23 ' B' ' 113' ' ' VAL . 0.0 OUTLIER -133.18 146.25 51.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.307 0.484 . . . . 135.84 112.307 175.512 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 51.9 p -72.0 174.34 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.975 -0.557 . . . . 124.69 110.104 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 40.8 p -129.26 164.89 22.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.075 -1.083 . . . . 128.21000000000001 108.075 171.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.6 m -119.01 -32.07 4.56 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.618 -0.433 . . . . 138.50999999999999 111.536 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -113.55 113.53 25.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.25 1.204 . . . . 160.13 114.25 -172.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 4.3 p -162.12 151.27 4.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.031 -1.1 . . . . 118.06999999999999 108.031 169.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -83.63 117.72 69.45 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 112.583 0.586 . . . . 217.88999999999999 112.583 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -51.27 -23.51 13.57 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 124.212 3.275 . . . . 131.63999999999999 112.843 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -66.03 -33.48 75.89 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.453 0.471 . . . . 155.00999999999999 110.518 174.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -77.51 -4.96 48.25 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.354 0.872 . . . . 144.88999999999999 113.354 -176.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' ILE . . . . . 0.508 HD12 HD12 ' B' ' 163' ' ' ILE . 53.3 mt -95.96 124.66 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 113.487 0.921 . . . . 94.780000000000001 113.487 -174.078 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 125' ' ' THR . . . . . 0.437 HG22 ' HE3' ' A' ' 31' ' ' LYS . 1.4 p -107.33 -21.83 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.844 -0.616 . . . . 72.790000000000006 111.969 -178.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 34.1 t -150.65 140.99 22.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.217 0.451 . . . . 64.75 112.217 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' LEU . . . . . 0.604 HD23 HG13 ' B' ' 164' ' ' ILE . 38.0 tp -133.92 124.91 27.19 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.558 -0.534 . . . . 68.890000000000001 109.558 174.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -111.18 130.62 55.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 125.34 110.233 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.71 111.58 36.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.37 -0.604 . . . . 66.879999999999995 109.37 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.84 118.04 53.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.621 0.6 . . . . 80.930000000000007 112.621 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -61.24 149.72 36.87 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 123.645 0.778 . . . . 97.129999999999995 111.034 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.37 138.98 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.851 -0.426 . . . . 115.79000000000001 109.851 173.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -142.52 -173.9 14.66 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 116.347 -0.388 . . . . 97.760000000000005 112.746 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.99 -22.31 73.72 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.65 2.233 . . . . 110.33 112.227 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . . . -103.37 5.83 37.45 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.613 0.597 . . . . 116.20999999999999 112.613 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' CYS . . . . . . . . . . . . . 34.0 t -166.21 115.53 0.77 Allowed Pre-proline 0 N--CA 1.466 0.335 0 C-N-CA 122.486 0.314 . . . . 121.29000000000001 111.136 175.31 -170.66 62.136 105.456 101.723 2.029 103.361 -79.872 -60.797 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.26 -28.16 40.32 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.823 2.349 . . . . 120.18000000000001 113.28 -174.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 1.1 t -110.14 156.99 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.125 0.417 . . . . 112.40000000000001 112.125 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.23 158.38 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.593 -0.521 . . . . 96.569999999999993 109.593 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -129.83 144.17 51.18 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.226 0.454 . . . . 81.049999999999997 112.226 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 78.8 mt -125.99 94.56 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 83.640000000000001 110.487 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.14 128.49 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.596 -0.275 . . . . 65.609999999999999 111.484 -176.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' ALA . . . . . . . . . . . . . . . -116.84 131.74 56.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.543 -0.299 . . . . 70.590000000000003 111.523 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 11.2 m -105.81 137.8 43.09 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.72 0.295 . . . . 78.430000000000007 110.989 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.07 163.83 13.21 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.181 -0.463 . . . . 79.25 111.642 -174.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -52.11 -35.62 48.63 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.637 0.977 . . . . 100.31 113.637 -176.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -87.23 0.72 54.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.271 1.211 . . . . 128.31 114.271 -176.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.03 -12.01 58.88 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.145 -0.55 . . . . 80.280000000000001 113.06 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -64.37 130.65 44.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.712 0.291 . . . . 135.50999999999999 111.29 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -113.24 135.72 53.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.24 -0.652 . . . . 85.379999999999995 109.24 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' ILE . . . . . . . . . . . . . 23.3 pt -137.41 165.26 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.546 -0.297 . . . . 83.530000000000001 110.888 -179.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' CYS . . . . . . . . . . . . . 74.9 m -108.74 143.87 37.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.475 -0.329 . . . . 93.430000000000007 111.415 177.157 -61.368 -115.675 -87.909 118.513 2.028 87.246 -98.072 -51.837 1 1 . 1 . 001 ecloud build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 19.6 mt -102.03 173.05 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 103.5 110.654 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -92.13 137.05 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.878 -0.601 . . . . 148.31 110.979 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.77 -38.69 46.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 115.87 110.733 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -89.92 50.22 1.84 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.098 -0.501 . . . . 153.22 111.797 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -147.07 152.45 43.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 N-CA-C 109.457 -0.571 . . . . 124.42 109.457 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.96 4.81 6.83 Favored 'Trans proline' 0 C--N 1.343 0.263 0 O-C-N 122.637 0.809 . . . . 164.81999999999999 111.429 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 159' ' ' LEU . . . . . 0.442 ' O ' HG12 ' B' ' 163' ' ' ILE . 38.9 tp -66.64 -40.83 88.87 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.395 0.517 . . . . 121.29000000000001 112.395 -178.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -64.15 -32.79 74.5 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.751 -0.38 . . . . 109.36 110.221 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 161' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -67.39 -30.91 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.852 -0.613 . . . . 159.97999999999999 110.04 177.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -78.04 -43.02 30.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 142.08000000000001 110.353 179.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 163' ' ' ILE . . . . . 0.508 HD12 HD12 ' B' ' 124' ' ' ILE . 43.5 mm -60.08 -49.23 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.93 -0.577 . . . . 90.400000000000006 110.684 178.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 164' ' ' ILE . . . . . 0.604 HG13 HD23 ' B' ' 127' ' ' LEU . 8.9 mt -61.68 -47.35 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.389 0.515 . . . . 90.780000000000001 112.389 -179.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 165' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' B' ' 169' ' ' GLU . 57.2 tttm -60.43 -28.63 68.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 139.65000000000001 112.002 -179.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 166' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -77.47 -51.37 10.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.255 0.465 . . . . 101.20999999999999 112.255 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 20.1 mt -53.39 -39.97 64.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.432 -0.349 . . . . 76.890000000000001 111.886 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.42 -34.88 70.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 89.599999999999994 111.82 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 169' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' B' ' 165' ' ' LYS . 65.7 mt-10 -69.37 -26.91 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.992 0.367 . . . . 147.62 111.992 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 170' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.05 0.452 . . . . 135.83000000000001 110.992 179.046 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' NTO . . . . . 0.651 ' O3C' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.941 0.401 . . . . 130.13 111.24 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -122.67 52.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.059 -1.089 . . . . 190.47 108.059 177.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.5 m -86.04 167.79 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.046 0.758 . . . . 154.69999999999999 113.046 -174.606 -76.267 -98.106 120.713 118.067 2.029 97.157 56.453 -168.866 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -77.72 -38.02 48.11 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.783 -1.192 . . . . 94.799999999999997 107.783 173.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.8 m -104.74 77.39 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.721 0.637 . . . . 125.20999999999999 112.721 -178.097 -66.152 -39.814 -91.01 111.317 2.029 75.171 -112.587 -60.846 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.86 -82.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.054 -1.091 . . . . 146.75999999999999 108.054 172.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -73.06 155.92 39.27 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.383 -1.71 . . . . 175.06999999999999 106.383 169.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -135.75 160.59 38.06 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.904 -0.318 . . . . 101.17 111.261 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.01 152.79 43.78 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.232 1.197 . . . . 124.69 114.232 -172.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 p -121.82 -18.81 6.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.496 -0.774 . . . . 115.36 112.466 -173.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -104.26 108.98 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 181.81999999999999 112.048 -178.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.4 p -154.26 147.38 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.444 -0.576 . . . . 99.519999999999996 109.444 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -85.45 110.06 26.45 Favored Pre-proline 0 C--N 1.332 -0.174 0 N-CA-C 109.952 -0.388 . . . . 141.31999999999999 109.952 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -54.9 -28.82 60.71 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.984 2.456 . . . . 80.120000000000005 113.336 -174.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' HG3' ' HD1' ' A' ' 23' ' ' HIS . 32.9 ptt-85 -71.0 -18.06 62.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.78 0.324 . . . . 96.909999999999997 111.518 178.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' HD1' ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -85.21 -4.61 59.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.325 . . . . 104.95 111.762 179.256 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.5 mt -92.11 125.16 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.762 0.653 . . . . 64.200000000000003 112.762 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -101.43 -26.04 13.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.207 -0.451 . . . . 78.310000000000002 111.666 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -158.14 151.06 22.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.418 0.525 . . . . 70.640000000000001 112.418 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -129.63 123.06 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.367 -0.975 . . . . 64.859999999999999 108.367 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -111.0 127.44 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.048 0.452 . . . . 85.700000000000003 110.897 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.1 t -99.65 110.98 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.294 -1.002 . . . . 64.599999999999994 108.294 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.1 mt -101.49 130.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.217 -0.66 . . . . 60.619999999999997 109.217 176.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.651 ' NZ ' ' O3C' ' B' ' 201' ' ' NTO . 4.2 pttp -77.66 154.65 31.98 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 112.581 0.586 . . . . 104.61 112.581 -174.028 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.31 158.8 11.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.561 . . . . 72.390000000000001 110.932 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.0 -173.44 30.67 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.271 -0.732 . . . . 70.709999999999994 111.271 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -61.9 -20.59 69.93 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.332 2.022 . . . . 109.98999999999999 110.942 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -99.28 -19.42 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.267 0.84 . . . . 143.19999999999999 113.267 -178.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.1 t -137.95 110.55 8.58 Favored Pre-proline 0 C--N 1.33 -0.248 0 N-CA-C 111.708 0.262 . . . . 112.06999999999999 111.708 178.431 -168.866 56.453 120.713 97.157 2.029 118.067 -98.106 -76.267 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -55.87 -29.8 74.23 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 124.843 3.695 . . . . 100.16 113.85 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 p -120.62 161.7 20.91 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.786 0.661 . . . . 87.390000000000001 112.786 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.6 156.95 35.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.181 -1.044 . . . . 70.129999999999995 108.181 171.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -123.04 132.09 53.97 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.442 -0.503 . . . . 73.329999999999998 112.336 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 mt -104.63 103.48 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 70.700000000000003 109.134 173.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.5 mm -102.5 117.7 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.826 -0.435 . . . . 52.810000000000002 109.826 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HB3' HD12 ' A' ' 51' ' ' ILE . . . -104.09 133.47 48.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.687 0.279 . . . . 50.170000000000002 111.097 178.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 79.7 m -105.19 130.2 53.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.709 -0.849 . . . . 56.380000000000003 108.709 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 mt -94.01 173.8 7.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.386 -0.37 . . . . 67.040000000000006 111.727 -176.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -54.97 -44.05 74.04 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.95 0.352 . . . . 106.86 111.95 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -77.5 9.62 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.712 1.005 . . . . 87.319999999999993 113.712 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.7 -16.06 57.47 Favored Glycine 0 N--CA 1.452 -0.257 0 N-CA-C 114.726 0.65 . . . . 64.689999999999998 114.726 173.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -67.75 164.19 20.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 95.920000000000002 111.34 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -131.19 145.82 52.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 66.420000000000002 111.054 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.401 HD12 ' HB3' ' A' ' 43' ' ' ALA . 1.2 pp -140.04 152.99 22.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 112.056 0.391 . . . . 79.390000000000001 112.056 172.956 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 77.7 m -90.26 121.09 31.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 70.290000000000006 111.311 -178.966 -60.846 -112.587 -91.01 75.171 2.029 111.317 -39.814 -66.152 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mp -83.78 143.4 29.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.405 0.52 . . . . 81.480000000000004 112.405 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.3 133.95 56.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 135.84 109.635 172.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.99 -3.25 18.51 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.138 0.422 . . . . 122.66 112.138 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -55.21 156.81 3.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.248 -0.433 . . . . 159.66 111.409 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -68.94 0.67 Allowed Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 117.532 2.419 . . . . 176.43000000000001 117.532 -167.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.69 -10.05 24.61 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 118.293 -0.671 . . . . 168.47 113.666 -163.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.9 tp -66.23 -60.59 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.007 0.373 . . . . 143.75999999999999 112.007 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -85.09 -6.18 59.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.996 0.739 . . . . 126.68000000000001 112.996 -176.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -67.93 -55.52 12.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 132.34 110.163 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -66.69 -32.39 73.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 120.89 112.367 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.13 -52.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.714 0.635 . . . . 119.76000000000001 112.714 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.58 HD13 HD13 ' B' ' 164' ' ' ILE . 65.4 mt -55.9 -36.92 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 112.482 0.549 . . . . 109.15000000000001 112.482 -179.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -37.64 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 147.19999999999999 111.337 177.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -70.57 -22.51 62.57 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.927 0.394 . . . . 161.52000000000001 110.786 179.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.97 -16.51 46.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.088 -0.505 . . . . 100.73 109.902 175.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.79 -1.31 37.95 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.681 0.993 . . . . 101.16 113.681 -175.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.044 0.449 . . . . 148.19 111.443 177.563 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 N-CA-C 112.463 0.542 . . . . 132.63999999999999 112.463 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 19.3 mt -131.93 141.81 49.45 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.555 0.576 . . . . 98.939999999999998 112.555 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -119.19 -175.04 2.84 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.177 -0.675 . . . . 127.33 109.177 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.57 150.21 44.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.765 0.317 . . . . 133.50999999999999 110.629 176.415 -60.797 -79.872 105.456 103.361 2.029 101.723 62.136 -170.66 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.31 -42.93 29.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 88.439999999999998 110.144 178.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 37.0 m -93.76 132.9 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.938 0.718 . . . . 100.73 112.938 -175.723 -51.837 -98.072 -87.909 87.246 2.028 118.513 -115.675 -61.368 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.614 HG23 ' HD3' ' B' ' 114' ' ' LYS . 2.3 m -91.62 -53.96 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.549 -0.296 . . . . 121.56 111.138 174.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' LYS . . . . . 0.614 ' HD3' HG23 ' B' ' 113' ' ' VAL . 0.0 OUTLIER -133.18 146.25 51.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.307 0.484 . . . . 135.84 112.307 175.512 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 51.9 p -72.0 174.34 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.975 -0.557 . . . . 124.69 110.104 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 40.8 p -129.26 164.89 22.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.075 -1.083 . . . . 128.21000000000001 108.075 171.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.6 m -119.01 -32.07 4.56 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.618 -0.433 . . . . 138.50999999999999 111.536 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -113.55 113.53 25.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.25 1.204 . . . . 160.13 114.25 -172.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 4.3 p -162.12 151.27 4.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.031 -1.1 . . . . 118.06999999999999 108.031 169.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -83.63 117.72 69.45 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 112.583 0.586 . . . . 217.88999999999999 112.583 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -51.27 -23.51 13.57 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 124.212 3.275 . . . . 131.63999999999999 112.843 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -66.03 -33.48 75.89 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.453 0.471 . . . . 155.00999999999999 110.518 174.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -77.51 -4.96 48.25 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.354 0.872 . . . . 144.88999999999999 113.354 -176.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.508 HD12 HD12 ' B' ' 163' ' ' ILE . 53.3 mt -95.96 124.66 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 113.487 0.921 . . . . 94.780000000000001 113.487 -174.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' THR . . . . . 0.437 HG22 ' HE3' ' A' ' 31' ' ' LYS . 1.4 p -107.33 -21.83 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.844 -0.616 . . . . 72.790000000000006 111.969 -178.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 34.1 t -150.65 140.99 22.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.217 0.451 . . . . 64.75 112.217 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.604 HD23 HG13 ' B' ' 164' ' ' ILE . 38.0 tp -133.92 124.91 27.19 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.558 -0.534 . . . . 68.890000000000001 109.558 174.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -111.18 130.62 55.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 125.34 110.233 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.71 111.58 36.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.37 -0.604 . . . . 66.879999999999995 109.37 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.84 118.04 53.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.621 0.6 . . . . 80.930000000000007 112.621 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -61.24 149.72 36.87 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 123.645 0.778 . . . . 97.129999999999995 111.034 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.37 138.98 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.851 -0.426 . . . . 115.79000000000001 109.851 173.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -142.52 -173.9 14.66 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 116.347 -0.388 . . . . 97.760000000000005 112.746 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.99 -22.31 73.72 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.65 2.233 . . . . 110.33 112.227 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . . . -103.37 5.83 37.45 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.613 0.597 . . . . 116.20999999999999 112.613 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' CYS . . . . . . . . . . . . . 34.0 t -166.21 115.53 0.77 Allowed Pre-proline 0 N--CA 1.466 0.335 0 C-N-CA 122.486 0.314 . . . . 121.29000000000001 111.136 175.31 -170.66 62.136 105.456 101.723 2.029 103.361 -79.872 -60.797 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.26 -28.16 40.32 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.823 2.349 . . . . 120.18000000000001 113.28 -174.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 1.1 t -110.14 156.99 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.125 0.417 . . . . 112.40000000000001 112.125 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.23 158.38 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.593 -0.521 . . . . 96.569999999999993 109.593 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -129.83 144.17 51.18 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.226 0.454 . . . . 81.049999999999997 112.226 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 78.8 mt -125.99 94.56 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 83.640000000000001 110.487 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.14 128.49 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.596 -0.275 . . . . 65.609999999999999 111.484 -176.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' ALA . . . . . . . . . . . . . . . -116.84 131.74 56.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.543 -0.299 . . . . 70.590000000000003 111.523 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 11.2 m -105.81 137.8 43.09 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.72 0.295 . . . . 78.430000000000007 110.989 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.07 163.83 13.21 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.181 -0.463 . . . . 79.25 111.642 -174.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -52.11 -35.62 48.63 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.637 0.977 . . . . 100.31 113.637 -176.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -87.23 0.72 54.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.271 1.211 . . . . 128.31 114.271 -176.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.03 -12.01 58.88 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.145 -0.55 . . . . 80.280000000000001 113.06 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -64.37 130.65 44.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.712 0.291 . . . . 135.50999999999999 111.29 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -113.24 135.72 53.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.24 -0.652 . . . . 85.379999999999995 109.24 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' ILE . . . . . . . . . . . . . 23.3 pt -137.41 165.26 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.546 -0.297 . . . . 83.530000000000001 110.888 -179.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' CYS . . . . . . . . . . . . . 74.9 m -108.74 143.87 37.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.475 -0.329 . . . . 93.430000000000007 111.415 177.157 -61.368 -115.675 -87.909 118.513 2.028 87.246 -98.072 -51.837 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 19.6 mt -102.03 173.05 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 103.5 110.654 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -92.13 137.05 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.878 -0.601 . . . . 148.31 110.979 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.77 -38.69 46.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 115.87 110.733 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -89.92 50.22 1.84 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.098 -0.501 . . . . 153.22 111.797 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -147.07 152.45 43.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 N-CA-C 109.457 -0.571 . . . . 124.42 109.457 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.96 4.81 6.83 Favored 'Trans proline' 0 C--N 1.343 0.263 0 O-C-N 122.637 0.809 . . . . 164.81999999999999 111.429 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.442 ' O ' HG12 ' B' ' 163' ' ' ILE . 38.9 tp -66.64 -40.83 88.87 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.395 0.517 . . . . 121.29000000000001 112.395 -178.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -64.15 -32.79 74.5 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.751 -0.38 . . . . 109.36 110.221 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -67.39 -30.91 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.852 -0.613 . . . . 159.97999999999999 110.04 177.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -78.04 -43.02 30.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 142.08000000000001 110.353 179.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.508 HD12 HD12 ' B' ' 124' ' ' ILE . 43.5 mm -60.08 -49.23 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.93 -0.577 . . . . 90.400000000000006 110.684 178.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' ILE . . . . . 0.604 HG13 HD23 ' B' ' 127' ' ' LEU . 8.9 mt -61.68 -47.35 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.389 0.515 . . . . 90.780000000000001 112.389 -179.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' B' ' 169' ' ' GLU . 57.2 tttm -60.43 -28.63 68.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 139.65000000000001 112.002 -179.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -77.47 -51.37 10.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.255 0.465 . . . . 101.20999999999999 112.255 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 20.1 mt -53.39 -39.97 64.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.432 -0.349 . . . . 76.890000000000001 111.886 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.42 -34.88 70.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 89.599999999999994 111.82 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' B' ' 165' ' ' LYS . 65.7 mt-10 -69.37 -26.91 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.992 0.367 . . . . 147.62 111.992 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.05 0.452 . . . . 135.83000000000001 110.992 179.046 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' NTO . . . . . 0.651 ' O3C' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_