data_1ehh_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 1ehh _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 ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.761 0 CA-C-O 118.848 -0.596 . . . . 17.4 110.397 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -76.36 146.99 38.39 Favored 'General case' 0 C--O 1.25 1.121 0 O-C-N 123.513 0.508 . . . . 47.1 111.876 175.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.05 167.38 26.5 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 122.899 1.333 . . . . 15.66 111.926 -177.338 63.893 83.083 99.324 108.779 2.012 103.071 70.371 -177.386 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.29 -161.91 53.27 Favored Glycine 0 C--O 1.224 -0.508 0 N-CA-C 116.097 1.199 . . . . 18.09 116.097 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -63.64 -25.86 68.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 120.665 -1.491 . . . . 21.97 113.837 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -99.8 1.02 42.72 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 120.733 -1.229 . . . . 31.41 110.185 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.56 51.8 0.76 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 121.772 2.078 . . . . 28.47 114.523 179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.58 33.05 85.17 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 116.317 1.287 . . . . 31.38 116.317 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.18 2.3 39.45 Favored Glycine 0 N--CA 1.473 1.109 0 N-CA-C 121.197 3.239 . . . . 33.11 121.197 168.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.13 147.73 50.99 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 123.154 1.454 . . . . 34.72 113.251 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.287 17.8 m -101.37 141.63 33.97 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 102.872 -3.01 . . . . 39.18 102.872 174.381 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.83 139.97 96.0 Favored Pre-proline 0 C--O 1.24 0.593 0 O-C-N 119.396 -2.065 . . . . 25.6 115.385 -174.869 -61.573 -82.517 -86.045 100.387 1.984 100.386 -72.427 -59.519 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -51.28 126.44 19.16 Favored 'Trans proline' 0 CA--C 1.512 -0.59 0 C-N-CA 124.54 3.493 . . . . 28.38 111.106 171.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.9 23.91 58.84 Favored Glycine 0 C--O 1.237 0.295 0 CA-C-O 121.612 0.562 . . . . 16.62 113.187 176.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 50.17 38.4 17.07 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 112.298 -1.951 . . . . 21.0 113.155 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -76.51 169.37 18.39 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-O 124.979 2.323 . . . . 27.92 111.737 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.8 m -71.97 142.31 49.4 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-N 112.491 -2.141 . . . . 14.9 111.811 -177.461 -47.058 152.113 94.72 104.759 1.975 102.362 -74.14 -53.759 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 t -111.1 125.53 53.87 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 105.048 -2.204 . . . . 15.67 105.048 176.661 -177.386 70.371 99.324 103.071 2.012 108.779 83.083 63.893 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.7 p -77.43 166.39 23.17 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-N 122.451 2.387 . . . . 16.23 109.9 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.7 pt -61.92 -13.83 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 O-C-N 119.553 -1.967 . . . . 15.51 112.128 175.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -89.51 4.17 50.09 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.491 1.663 . . . . 17.89 115.491 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.65 27.8 37.56 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 117.232 -3.417 . . . . 16.65 115.783 174.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -130.14 148.56 51.99 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 120.769 2.285 . . . . 17.71 110.634 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.3 m -92.02 144.93 24.95 Favored 'General case' 0 CA--C 1.488 -1.406 0 C-N-CA 124.741 1.216 . . . . 16.06 112.445 -177.717 -59.519 -72.427 -86.045 100.386 1.984 100.387 -82.517 -61.573 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.17 -179.22 46.52 Favored Glycine 0 CA--C 1.49 -1.521 0 N-CA-C 107.611 -2.195 . . . . 17.85 107.611 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.7 7.3 6.82 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 112.642 -1.779 . . . . 39.36 111.085 -171.454 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 p -115.84 176.94 4.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 116.141 1.904 . . . . 20.48 116.141 -174.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -53.01 -37.76 52.39 Favored Pre-proline 0 CA--C 1.513 -0.448 0 O-C-N 118.177 -2.827 . . . . 40.67 114.114 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -62.89 -25.89 74.42 Favored 'Trans proline' 0 C--N 1.355 0.882 0 CA-C-N 124.363 2.594 . . . . 20.33 114.501 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -91.68 -38.57 12.34 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.739 -0.664 . . . . 17.63 112.007 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -108.87 -18.16 13.76 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 119.321 3.082 . . . . 14.03 119.321 -168.559 -53.759 -74.14 94.72 102.362 1.975 104.759 152.113 -47.058 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.19 -121.13 2.49 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 123.898 0.761 . . . . 15.74 112.25 -174.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -63.83 -34.66 78.42 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.853 1.427 . . . . 51.27 114.853 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 p -100.84 33.88 2.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 124.279 1.99 . . . . 16.43 113.692 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.8 t -96.72 138.71 33.87 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.067 -1.424 . . . . 13.13 109.214 178.796 177.665 -105.052 -80.735 104.22 2.012 101.642 -63.077 -49.06 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -99.46 -56.73 2.32 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.039 -0.982 . . . . 23.48 112.285 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -126.22 148.89 49.37 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.201 1.401 . . . . 31.33 109.175 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt 54.06 52.06 13.47 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 125.03 2.347 . . . . 14.92 113.781 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.8 m -86.29 155.93 20.46 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 112.399 -2.182 . . . . 12.35 110.671 -173.52 -49.06 -63.077 -80.735 101.642 2.012 104.22 -105.052 177.665 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -53.42 -37.47 62.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.212 -0.93 . . . . 21.44 112.239 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.1 p -75.92 -1.94 27.88 Favored 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 118.363 -2.711 . . . . 23.63 111.952 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.21 2.46 83.58 Favored Glycine 0 N--CA 1.429 -1.794 0 CA-C-O 117.354 -1.803 . . . . 16.07 112.402 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -68.19 146.03 53.78 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 121.756 2.778 . . . . 18.14 110.667 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -69.66 150.27 47.19 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-O 121.899 0.857 . . . . 19.6 111.192 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -55.92 -41.09 74.05 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 113.665 -1.607 . . . . 28.71 110.036 174.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -82.42 -0.53 46.57 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.549 1.685 . . . . 20.46 115.549 175.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 68.96 18.87 8.36 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 115.896 1.813 . . . . 19.43 115.896 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -78.01 158.67 29.16 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 117.394 -1.289 . . . . 38.65 107.951 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -152.47 -171.24 3.87 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.162 1.385 . . . . 19.21 109.485 175.819 64.55 108.057 96.561 104.595 2.017 106.801 58.872 -176.103 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.45 166.11 40.06 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 124.599 3.363 . . . . 22.03 112.706 -177.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.79 -35.04 63.43 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 114.929 1.455 . . . . 26.96 114.929 -174.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.55 -29.45 70.02 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 113.585 0.958 . . . . 27.36 113.585 -176.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -115.22 30.79 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 C-N-CA 118.624 -1.231 . . . . 21.34 109.821 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.41 21.7 66.48 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-O 118.022 -1.432 . . . . 20.95 115.721 173.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 52.15 56.02 15.33 Favored Pre-proline 0 C--O 1.246 0.887 0 CA-C-N 120.091 1.946 . . . . 19.98 116.07 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -62.8 155.35 60.18 Favored 'Trans proline' 0 N--CA 1.441 -1.563 0 C-N-CA 121.561 1.508 . . . . 16.5 110.859 172.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -66.08 -179.65 1.5 Allowed 'Trans proline' 0 N--CA 1.445 -1.381 0 C-N-CA 121.985 1.79 . . . . 18.11 113.828 169.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.7 m -128.7 160.46 32.41 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 105.535 -2.024 . . . . 14.17 105.535 171.971 -65.476 -57.453 -79.865 105.941 2.057 106.242 -71.461 -74.338 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.73 -172.24 9.45 Favored Glycine 0 N--CA 1.435 -1.406 0 O-C-N 119.799 -1.813 . . . . 11.67 109.883 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -63.68 118.98 9.03 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 109.717 -3.241 . . . . 24.11 109.303 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 65.47 35.2 7.45 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 125.803 1.939 . . . . 20.56 115.531 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -129.34 151.6 49.81 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 104.041 -2.577 . . . . 14.71 104.041 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 87' ' ' SER . 56.5 m -130.7 164.2 25.58 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 118.596 -0.716 . . . . 15.87 110.129 -177.304 -53.931 106.436 95.497 104.345 2.007 96.304 -68.948 -60.921 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.2 t -98.44 106.31 18.57 Favored 'General case' 0 N--CA 1.433 -1.287 0 O-C-N 124.532 1.145 . . . . 18.39 109.311 178.27 -176.103 58.872 96.561 106.801 2.017 104.595 108.057 64.55 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 p -67.92 162.19 24.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 122.52 1.152 . . . . 15.49 110.477 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.56 -8.7 10.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 O-C-N 120.391 -1.443 . . . . 18.78 110.539 177.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -88.51 -18.53 27.99 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 120.757 -1.215 . . . . 21.56 110.407 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.17 35.53 3.13 Favored Glycine 0 CA--C 1.481 -2.048 0 CA-C-O 121.857 0.699 . . . . 17.03 112.761 169.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -138.48 135.46 35.18 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.541 -1.33 . . . . 24.5 110.339 -175.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 58.8 m -82.85 146.03 29.14 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 107.083 -1.451 . . . . 18.6 107.083 177.68 -74.338 -71.461 -79.865 106.242 2.057 105.941 -57.453 -65.476 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.27 169.3 38.25 Favored Glycine 0 CA--C 1.499 -0.921 0 C-N-CA 118.842 -1.647 . . . . 15.74 111.507 176.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.64 154.11 19.98 Favored Glycine 0 C--N 1.311 -0.85 0 CA-C-O 122.307 0.948 . . . . 22.54 112.583 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.96 175.68 39.51 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-O 127.8 4.0 . . . . 23.9 115.346 175.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -54.54 -31.21 56.01 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 110.503 -2.849 . . . . 40.22 115.992 -175.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.73 -29.85 69.18 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 119.549 -1.969 . . . . 31.41 115.479 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -101.1 -30.7 11.44 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 126.39 2.306 . . . . 20.09 114.163 -178.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.3 m -113.74 -13.43 12.66 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 117.63 2.455 . . . . 18.41 117.63 -169.58 -60.921 -68.948 95.497 96.304 2.007 104.345 106.436 -53.931 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.6 m -88.77 134.26 33.98 Favored 'General case' 0 CA--C 1.501 -0.907 0 O-C-N 120.546 -1.346 . . . . 33.34 108.216 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.69 144.09 6.0 Favored Glycine 0 CA--C 1.497 -1.062 0 O-C-N 125.257 1.598 . . . . 35.56 111.01 -169.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.92 -48.97 1.78 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 121.388 2.594 . . . . 27.54 107.2 -174.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -90.25 -17.9 26.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.415 1.107 . . . . 33.41 113.14 175.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.2 t -108.82 133.11 53.3 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 119.908 -1.745 . . . . 17.42 114.256 -175.397 177.306 -106.119 -91.595 108.424 2.031 98.91 -58.936 -54.198 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -95.04 -37.78 10.95 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 116.817 -1.563 . . . . 24.2 111.367 175.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -156.28 161.35 40.22 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 123.848 3.022 . . . . 17.02 109.061 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 58.68 46.82 13.88 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 126.203 2.19 . . . . 22.41 107.558 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 57.1 m -79.94 125.7 30.07 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 117.284 -1.341 . . . . 38.05 112.027 -172.132 -54.198 -58.936 -91.595 98.91 2.031 108.424 -106.119 177.306 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' SER . . . . . 0.427 ' N ' ' SG ' ' A' ' 63' ' ' CYS . 37.2 m -91.87 -61.24 1.67 Allowed 'General case' 0 C--O 1.239 0.541 0 N-CA-C 121.276 3.806 . . . . 59.05 121.276 -174.073 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.28 23.23 0.09 Allowed 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 120.67 3.581 . . . . 63.74 120.67 -169.24 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.432 -1.353 1 N-CA-C 122.031 4.086 . . . . 65.32 122.031 -163.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.956 0.884 . . . . 32.75 109.867 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -89.44 149.69 22.84 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 113.439 -1.71 . . . . 32.54 109.363 -174.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -164.55 177.57 8.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.496 -0.32 . . . . 22.26 111.429 -173.202 58.367 87.582 95.311 104.834 2.013 103.585 68.566 -175.118 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.52 -163.0 36.52 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 111.237 -0.745 . . . . 26.86 111.237 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.9 p -68.22 -38.9 82.37 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.452 -0.499 . . . . 37.62 111.208 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.14 -35.97 61.63 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.007 -1.683 . . . . 39.58 114.209 -176.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.22 37.73 3.33 Favored Glycine 0 N--CA 1.439 -1.121 0 N-CA-C 108.797 -1.721 . . . . 35.75 108.797 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.16 -88.83 1.13 Allowed Glycine 0 C--O 1.243 0.666 0 O-C-N 121.347 -1.09 . . . . 43.01 114.548 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.51 3.79 0.04 OUTLIER Glycine 0 C--N 1.338 0.694 0 C-N-CA 119.021 -1.562 . . . . 36.96 116.809 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.34 168.4 19.07 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 119.177 3.029 . . . . 31.88 119.177 -177.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.5 m -98.68 138.46 35.82 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 105.772 -1.936 . . . . 29.16 105.772 172.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 95.0 m -55.93 146.23 49.52 Favored Pre-proline 0 CA--C 1.508 -0.637 0 O-C-N 119.647 -1.908 . . . . 24.56 115.437 177.252 -66.122 -77.089 -85.503 106.102 2.002 97.961 -83.399 -56.762 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -44.04 124.61 4.91 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 125.033 3.822 . . . . 27.31 111.417 161.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.25 21.29 79.82 Favored Glycine 0 CA--C 1.523 0.581 0 O-C-N 121.205 -0.934 . . . . 20.05 114.451 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt 50.02 41.45 23.29 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 124.224 1.964 . . . . 20.91 111.705 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -73.93 168.6 19.14 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 113.665 -1.607 . . . . 41.75 109.02 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 37.0 m -75.39 140.87 43.25 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.346 -1.752 . . . . 17.4 110.948 -176.975 -51.835 142.582 96.125 102.688 2.001 104.421 -61.741 -63.843 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -106.81 125.08 50.55 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 102.684 -3.08 . . . . 16.49 102.684 177.694 -175.118 68.566 95.311 103.585 2.013 104.834 87.582 58.367 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -76.78 165.99 23.97 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 122.672 1.225 . . . . 15.76 112.578 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 pt -64.23 3.61 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 O-C-N 118.905 -2.372 . . . . 19.83 110.974 174.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -110.06 1.16 18.74 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 122.184 2.266 . . . . 25.62 109.405 178.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.2 28.95 26.57 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 116.183 1.233 . . . . 19.05 116.183 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -128.12 153.39 46.9 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 121.256 2.528 . . . . 23.46 107.756 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 62.5 m -95.1 145.18 25.17 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 113.652 0.982 . . . . 14.57 113.652 -177.05 -56.762 -83.399 -85.503 97.961 2.002 106.102 -77.089 -66.122 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.47 -164.49 30.06 Favored Glycine 0 CA--C 1.486 -1.732 0 C-N-CA 118.067 -2.016 . . . . 19.67 110.303 177.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -151.48 20.75 0.73 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.388 1.255 . . . . 35.3 114.388 -174.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 3.5 p -111.22 -178.8 3.55 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.719 -1.956 . . . . 25.55 105.719 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -49.39 -46.24 77.62 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 118.34 2.719 . . . . 42.45 118.34 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.56 -19.74 61.21 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 124.671 3.58 . . . . 22.43 115.974 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -103.11 -33.02 9.38 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 107.875 -1.157 . . . . 19.47 107.875 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 78.8 m -111.16 -12.76 14.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 120.702 3.593 . . . . 18.04 120.702 -170.325 -63.843 -61.741 96.125 104.421 2.001 102.688 142.582 -51.835 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.51 -119.15 4.54 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 120.828 1.649 . . . . 22.64 111.797 -177.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -57.03 -42.72 80.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.156 1.782 . . . . 58.66 109.757 -173.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 9.8 p -99.52 26.75 5.82 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 116.595 2.072 . . . . 17.87 116.595 -179.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 42.7 t -84.35 141.84 30.6 Favored 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 120.237 -1.539 . . . . 14.1 107.844 174.627 178.261 -108.189 -83.236 105.441 2.002 105.226 -66.163 -54.257 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -102.42 -44.76 5.28 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 115.971 -1.966 . . . . 21.28 108.415 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.25 158.86 43.5 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 124.759 3.436 . . . . 27.45 111.26 -179.884 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 54.54 58.47 4.87 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 126.934 2.646 . . . . 19.29 106.775 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -98.16 158.75 15.37 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 115.926 -1.988 . . . . 15.42 116.08 -168.582 -54.257 -66.163 -83.236 105.226 2.002 105.441 -108.189 178.261 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -53.42 -38.72 63.73 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.621 1.555 . . . . 15.53 113.892 174.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.3 p -68.32 -11.08 58.93 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 118.339 -2.725 . . . . 23.6 114.149 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.13 1.03 84.43 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 116.514 1.366 . . . . 18.76 116.514 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.91 137.53 58.05 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.119 -1.813 . . . . 23.01 110.802 175.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -61.71 149.85 38.44 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 120.884 -1.135 . . . . 33.03 114.048 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 3.1 p -59.14 -34.68 72.35 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 122.508 1.147 . . . . 35.77 110.844 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -89.71 0.79 56.75 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.875 1.805 . . . . 27.37 115.875 174.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 58.11 29.16 17.44 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 119.21 -2.181 . . . . 26.1 116.079 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.51 151.51 30.72 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 105.119 -2.178 . . . . 46.19 105.119 173.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 27.9 p -146.21 178.59 8.11 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 122.628 2.467 . . . . 13.01 105.652 171.614 60.506 113.525 82.532 106.758 2.018 109.113 68.127 178.731 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.16 172.05 28.58 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 121.334 -0.853 . . . . 13.49 112.029 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.94 -43.85 50.12 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 126.856 2.062 . . . . 19.51 115.1 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.0 -16.96 49.27 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 117.255 2.317 . . . . 19.5 117.255 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 16.1 m -128.87 29.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-O 122.456 1.122 . . . . 22.47 108.783 -179.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.12 20.49 69.89 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 118.678 2.231 . . . . 18.94 118.678 172.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 52.45 56.31 15.11 Favored Pre-proline 0 C--N 1.322 -0.592 0 O-C-N 121.716 -0.873 . . . . 22.34 113.102 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -68.39 165.31 29.35 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 N-CA-C 107.938 -1.601 . . . . 15.49 107.938 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -80.47 177.24 8.34 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 123.313 2.675 . . . . 13.8 112.567 172.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 93.4 m -120.73 171.49 8.56 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 103.561 -2.755 . . . . 16.13 103.561 175.162 -68.628 -56.11 -81.293 107.71 2.035 106.504 -73.505 -70.37 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.07 -173.17 49.2 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 114.197 -1.365 . . . . 16.64 111.824 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.91 131.03 47.35 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 123.99 0.916 . . . . 18.49 113.452 -177.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 56.59 27.86 13.08 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.823 1.192 . . . . 28.82 113.765 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -126.99 147.33 50.13 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 118.88 -2.387 . . . . 17.6 107.038 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 8.9 m -131.04 163.83 26.74 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 122.575 1.178 . . . . 19.08 108.086 -175.603 -44.459 102.527 100.767 110.333 2.016 94.137 -70.513 -60.099 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' CYS . . . . . . . . . . . . . 45.1 t -98.84 108.6 21.33 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.396 -1.335 . . . . 13.71 107.396 179.376 178.731 68.127 82.532 109.113 2.018 106.758 113.525 60.506 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 18.8 p -67.36 157.96 32.77 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.177 0.923 . . . . 15.74 112.579 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.16 -13.82 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 109.071 -0.714 . . . . 17.56 109.071 175.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -89.67 1.55 55.9 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 121.022 1.737 . . . . 20.49 112.661 178.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.44 37.55 12.05 Favored Glycine 0 C--N 1.345 1.06 0 C-N-CA 125.287 1.422 . . . . 11.65 116.017 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -138.8 137.94 37.12 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 108.735 -0.839 . . . . 20.27 108.735 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' CYS . . . . . . . . . . . . . 88.7 m -83.93 142.54 30.47 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.673 1.233 . . . . 16.38 110.124 174.314 -70.37 -73.505 -81.293 106.504 2.035 107.71 -56.11 -68.628 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.0 179.55 47.45 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 108.777 -1.729 . . . . 14.62 108.777 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.75 162.6 13.18 Favored Glycine 0 C--O 1.24 0.516 0 C-N-CA 119.141 -1.504 . . . . 24.77 113.882 -176.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.47 -176.62 40.15 Favored Glycine 0 CA--C 1.5 -0.867 0 CA-C-N 112.996 -1.602 . . . . 30.83 115.59 171.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -57.35 -30.3 64.72 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.042 1.127 . . . . 43.27 114.042 -177.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -69.33 -15.18 63.28 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 116.982 2.216 . . . . 33.44 116.982 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -119.56 -41.41 2.7 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.05 -1.432 . . . . 27.74 113.151 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 82.3 m -90.43 -24.31 20.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 119.433 3.123 . . . . 31.05 119.433 -170.094 -60.099 -70.513 100.767 94.137 2.016 110.333 102.527 -44.459 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 57.9 p -68.89 156.38 38.58 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 113.389 0.885 . . . . 44.21 113.389 -172.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.38 137.55 49.96 Favored Glycine 0 C--O 1.253 1.293 0 N-CA-C 105.776 -2.93 . . . . 41.18 105.776 165.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.71 -47.64 1.69 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 118.518 -1.801 . . . . 40.12 109.67 -178.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -94.78 -13.05 25.99 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.944 0.878 . . . . 37.87 112.996 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' CYS . . . . . . . . . . . . . 21.3 t -106.2 144.26 33.16 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 119.72 -1.862 . . . . 19.64 111.344 -176.691 -168.701 -120.916 -96.097 101.251 2.014 99.389 -63.488 -50.314 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -109.25 -40.59 4.89 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.582 -1.645 . . . . 24.19 111.383 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -161.3 164.38 30.22 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 121.102 1.774 . . . . 18.47 109.001 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 52.88 47.44 24.66 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 126.528 1.931 . . . . 18.6 110.363 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 32.4 m -83.85 134.38 34.7 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 113.948 -1.478 . . . . 30.7 109.304 -173.745 -50.314 -63.488 -96.097 99.389 2.014 101.251 -120.916 -168.701 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 50.2 m -86.28 58.94 5.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 102.716 -3.068 . . . . 52.96 102.716 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 1.1 p 167.92 -78.59 0.0 OUTLIER 'General case' 0 C--O 1.242 0.689 0 CA-C-N 113.702 -1.59 . . . . 68.12 109.522 -170.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.353 0.72 1 C-N-CA 133.776 4.831 . . . . 73.13 108.22 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.761 0 CA-C-O 118.848 -0.596 . . . . 17.4 110.397 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 22' ' ' GLY . 1.7 mmt85 -76.36 146.99 38.39 Favored 'General case' 0 C--O 1.25 1.121 0 O-C-N 123.513 0.508 . . . . 47.1 111.876 175.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 31.2 p -161.05 167.38 26.5 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 122.899 1.333 . . . . 15.66 111.926 -177.338 63.893 83.083 99.324 108.779 2.012 103.071 70.371 -177.386 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.29 -161.91 53.27 Favored Glycine 0 C--O 1.224 -0.508 0 N-CA-C 116.097 1.199 . . . . 18.09 116.097 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -63.64 -25.86 68.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 120.665 -1.491 . . . . 21.97 113.837 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -99.8 1.02 42.72 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 120.733 -1.229 . . . . 31.41 110.185 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.56 51.8 0.76 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 121.772 2.078 . . . . 28.47 114.523 179.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.58 33.05 85.17 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 116.317 1.287 . . . . 31.38 116.317 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.18 2.3 39.45 Favored Glycine 0 N--CA 1.473 1.109 0 N-CA-C 121.197 3.239 . . . . 33.11 121.197 168.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.13 147.73 50.99 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 123.154 1.454 . . . . 34.72 113.251 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.287 17.8 m -101.37 141.63 33.97 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 102.872 -3.01 . . . . 39.18 102.872 174.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.83 139.97 96.0 Favored Pre-proline 0 C--O 1.24 0.593 0 O-C-N 119.396 -2.065 . . . . 25.6 115.385 -174.869 -61.573 -82.517 -86.045 100.387 1.984 100.386 -72.427 -59.519 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -51.28 126.44 19.16 Favored 'Trans proline' 0 CA--C 1.512 -0.59 0 C-N-CA 124.54 3.493 . . . . 28.38 111.106 171.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.9 23.91 58.84 Favored Glycine 0 C--O 1.237 0.295 0 CA-C-O 121.612 0.562 . . . . 16.62 113.187 176.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . 0.529 ' HA ' ' O ' ' A' ' 180' ' ' HOH . 2.8 mm? 50.17 38.4 17.07 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 112.298 -1.951 . . . . 21.0 113.155 178.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -76.51 169.37 18.39 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-O 124.979 2.323 . . . . 27.92 111.737 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.8 m -71.97 142.31 49.4 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-N 112.491 -2.141 . . . . 14.9 111.811 -177.461 -47.058 152.113 94.72 104.759 1.975 102.362 -74.14 -53.759 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 t -111.1 125.53 53.87 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 105.048 -2.204 . . . . 15.67 105.048 176.661 -177.386 70.371 99.324 103.071 2.012 108.779 83.083 63.893 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.7 p -77.43 166.39 23.17 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-N 122.451 2.387 . . . . 16.23 109.9 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.7 pt -61.92 -13.83 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 O-C-N 119.553 -1.967 . . . . 15.51 112.128 175.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -89.51 4.17 50.09 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.491 1.663 . . . . 17.89 115.491 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 3' ' ' CYS . . . 83.65 27.8 37.56 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 117.232 -3.417 . . . . 16.65 115.783 174.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -130.14 148.56 51.99 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 120.769 2.285 . . . . 17.71 110.634 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.3 m -92.02 144.93 24.95 Favored 'General case' 0 CA--C 1.488 -1.406 0 C-N-CA 124.741 1.216 . . . . 16.06 112.445 -177.717 -59.519 -72.427 -86.045 100.386 1.984 100.387 -82.517 -61.573 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.17 -179.22 46.52 Favored Glycine 0 CA--C 1.49 -1.521 0 N-CA-C 107.611 -2.195 . . . . 17.85 107.611 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.7 7.3 6.82 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 112.642 -1.779 . . . . 39.36 111.085 -171.454 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 p -115.84 176.94 4.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 116.141 1.904 . . . . 20.48 116.141 -174.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -53.01 -37.76 52.39 Favored Pre-proline 0 CA--C 1.513 -0.448 0 O-C-N 118.177 -2.827 . . . . 40.67 114.114 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -62.89 -25.89 74.42 Favored 'Trans proline' 0 C--N 1.355 0.882 0 CA-C-N 124.363 2.594 . . . . 20.33 114.501 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -91.68 -38.57 12.34 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.739 -0.664 . . . . 17.63 112.007 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -108.87 -18.16 13.76 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 119.321 3.082 . . . . 14.03 119.321 -168.559 -53.759 -74.14 94.72 102.362 1.975 104.759 152.113 -47.058 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.19 -121.13 2.49 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 123.898 0.761 . . . . 15.74 112.25 -174.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -63.83 -34.66 78.42 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.853 1.427 . . . . 51.27 114.853 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 p -100.84 33.88 2.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 124.279 1.99 . . . . 16.43 113.692 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.8 t -96.72 138.71 33.87 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.067 -1.424 . . . . 13.13 109.214 178.796 177.665 -105.052 -80.735 104.22 2.012 101.642 -63.077 -49.06 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -99.46 -56.73 2.32 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.039 -0.982 . . . . 23.48 112.285 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 176' ' ' HOH . 32.8 m120 -126.22 148.89 49.37 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.201 1.401 . . . . 31.33 109.175 -177.49 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt 54.06 52.06 13.47 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 125.03 2.347 . . . . 14.92 113.781 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.8 m -86.29 155.93 20.46 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 112.399 -2.182 . . . . 12.35 110.671 -173.52 -49.06 -63.077 -80.735 101.642 2.012 104.22 -105.052 177.665 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -53.42 -37.47 62.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.212 -0.93 . . . . 21.44 112.239 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.1 p -75.92 -1.94 27.88 Favored 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 118.363 -2.711 . . . . 23.63 111.952 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.21 2.46 83.58 Favored Glycine 0 N--CA 1.429 -1.794 0 CA-C-O 117.354 -1.803 . . . . 16.07 112.402 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -68.19 146.03 53.78 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 121.756 2.778 . . . . 18.14 110.667 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -69.66 150.27 47.19 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-O 121.899 0.857 . . . . 19.6 111.192 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -55.92 -41.09 74.05 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 113.665 -1.607 . . . . 28.71 110.036 174.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -82.42 -0.53 46.57 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.549 1.685 . . . . 20.46 115.549 175.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 68.96 18.87 8.36 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 115.896 1.813 . . . . 19.43 115.896 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -78.01 158.67 29.16 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 117.394 -1.289 . . . . 38.65 107.951 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 56' ' ' PRO . 32.1 p -152.47 -171.24 3.87 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.162 1.385 . . . . 19.21 109.485 175.819 64.55 108.057 96.561 104.595 2.017 106.801 58.872 -176.103 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.45 166.11 40.06 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 124.599 3.363 . . . . 22.03 112.706 -177.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.79 -35.04 63.43 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 114.929 1.455 . . . . 26.96 114.929 -174.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.55 -29.45 70.02 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 113.585 0.958 . . . . 27.36 113.585 -176.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -115.22 30.79 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 C-N-CA 118.624 -1.231 . . . . 21.34 109.821 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.41 21.7 66.48 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-O 118.022 -1.432 . . . . 20.95 115.721 173.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 52.15 56.02 15.33 Favored Pre-proline 0 C--O 1.246 0.887 0 CA-C-N 120.091 1.946 . . . . 19.98 116.07 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HG2' ' HA ' ' A' ' 49' ' ' CYS . 92.3 Cg_endo -62.8 155.35 60.18 Favored 'Trans proline' 0 N--CA 1.441 -1.563 0 C-N-CA 121.561 1.508 . . . . 16.5 110.859 172.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -66.08 -179.65 1.5 Allowed 'Trans proline' 0 N--CA 1.445 -1.381 0 C-N-CA 121.985 1.79 . . . . 18.11 113.828 169.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.7 m -128.7 160.46 32.41 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 105.535 -2.024 . . . . 14.17 105.535 171.971 -65.476 -57.453 -79.865 105.941 2.057 106.242 -71.461 -74.338 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.73 -172.24 9.45 Favored Glycine 0 N--CA 1.435 -1.406 0 O-C-N 119.799 -1.813 . . . . 11.67 109.883 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -63.68 118.98 9.03 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 109.717 -3.241 . . . . 24.11 109.303 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 65.47 35.2 7.45 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 125.803 1.939 . . . . 20.56 115.531 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -129.34 151.6 49.81 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 104.041 -2.577 . . . . 14.71 104.041 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 87' ' ' SER . 56.5 m -130.7 164.2 25.58 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 118.596 -0.716 . . . . 15.87 110.129 -177.304 -53.931 106.436 95.497 104.345 2.007 96.304 -68.948 -60.921 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.2 t -98.44 106.31 18.57 Favored 'General case' 0 N--CA 1.433 -1.287 0 O-C-N 124.532 1.145 . . . . 18.39 109.311 178.27 -176.103 58.872 96.561 106.801 2.017 104.595 108.057 64.55 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 p -67.92 162.19 24.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 122.52 1.152 . . . . 15.49 110.477 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.56 -8.7 10.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 O-C-N 120.391 -1.443 . . . . 18.78 110.539 177.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -88.51 -18.53 27.99 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 120.757 -1.215 . . . . 21.56 110.407 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.17 35.53 3.13 Favored Glycine 0 CA--C 1.481 -2.048 0 CA-C-O 121.857 0.699 . . . . 17.03 112.761 169.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -138.48 135.46 35.18 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.541 -1.33 . . . . 24.5 110.339 -175.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 58.8 m -82.85 146.03 29.14 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 107.083 -1.451 . . . . 18.6 107.083 177.68 -74.338 -71.461 -79.865 106.242 2.057 105.941 -57.453 -65.476 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.27 169.3 38.25 Favored Glycine 0 CA--C 1.499 -0.921 0 C-N-CA 118.842 -1.647 . . . . 15.74 111.507 176.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.64 154.11 19.98 Favored Glycine 0 C--N 1.311 -0.85 0 CA-C-O 122.307 0.948 . . . . 22.54 112.583 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.96 175.68 39.51 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-O 127.8 4.0 . . . . 23.9 115.346 175.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -54.54 -31.21 56.01 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 110.503 -2.849 . . . . 40.22 115.992 -175.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.73 -29.85 69.18 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 119.549 -1.969 . . . . 31.41 115.479 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -101.1 -30.7 11.44 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 126.39 2.306 . . . . 20.09 114.163 -178.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 87' ' ' SER . 77.3 m -113.74 -13.43 12.66 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 117.63 2.455 . . . . 18.41 117.63 -169.58 -60.921 -68.948 95.497 96.304 2.007 104.345 106.436 -53.931 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.6 m -88.77 134.26 33.98 Favored 'General case' 0 CA--C 1.501 -0.907 0 O-C-N 120.546 -1.346 . . . . 33.34 108.216 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.69 144.09 6.0 Favored Glycine 0 CA--C 1.497 -1.062 0 O-C-N 125.257 1.598 . . . . 35.56 111.01 -169.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.92 -48.97 1.78 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 121.388 2.594 . . . . 27.54 107.2 -174.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 81' ' ' LYS . 11.0 mmpt? -90.25 -17.9 26.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.415 1.107 . . . . 33.41 113.14 175.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.2 t -108.82 133.11 53.3 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 119.908 -1.745 . . . . 17.42 114.256 -175.397 177.306 -106.119 -91.595 108.424 2.031 98.91 -58.936 -54.198 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -95.04 -37.78 10.95 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 116.817 -1.563 . . . . 24.2 111.367 175.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -156.28 161.35 40.22 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 123.848 3.022 . . . . 17.02 109.061 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 58.68 46.82 13.88 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 126.203 2.19 . . . . 22.41 107.558 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 57.1 m -79.94 125.7 30.07 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 117.284 -1.341 . . . . 38.05 112.027 -172.132 -54.198 -58.936 -91.595 98.91 2.031 108.424 -106.119 177.306 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' SER . . . . . 0.439 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 37.2 m -91.87 -61.24 1.67 Allowed 'General case' 0 C--O 1.239 0.541 0 N-CA-C 121.276 3.806 . . . . 59.05 121.276 -174.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.28 23.23 0.09 Allowed 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 120.67 3.581 . . . . 63.74 120.67 -169.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.432 -1.353 1 N-CA-C 122.031 4.086 . . . . 65.32 122.031 -163.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.956 0.884 . . . . 32.75 109.867 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' B' ' 22' ' ' GLY . 1.6 mmp_? -89.44 149.69 22.84 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 113.439 -1.71 . . . . 32.54 109.363 -174.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -164.55 177.57 8.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.496 -0.32 . . . . 22.26 111.429 -173.202 58.367 87.582 95.311 104.834 2.013 103.585 68.566 -175.118 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.52 -163.0 36.52 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 111.237 -0.745 . . . . 26.86 111.237 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.9 p -68.22 -38.9 82.37 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.452 -0.499 . . . . 37.62 111.208 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -35.97 61.63 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.007 -1.683 . . . . 39.58 114.209 -176.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.22 37.73 3.33 Favored Glycine 0 N--CA 1.439 -1.121 0 N-CA-C 108.797 -1.721 . . . . 35.75 108.797 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.16 -88.83 1.13 Allowed Glycine 0 C--O 1.243 0.666 0 O-C-N 121.347 -1.09 . . . . 43.01 114.548 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.51 3.79 0.04 OUTLIER Glycine 0 C--N 1.338 0.694 0 C-N-CA 119.021 -1.562 . . . . 36.96 116.809 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.34 168.4 19.07 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 119.177 3.029 . . . . 31.88 119.177 -177.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.5 m -98.68 138.46 35.82 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 105.772 -1.936 . . . . 29.16 105.772 172.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 95.0 m -55.93 146.23 49.52 Favored Pre-proline 0 CA--C 1.508 -0.637 0 O-C-N 119.647 -1.908 . . . . 24.56 115.437 177.252 -66.122 -77.089 -85.503 106.102 2.002 97.961 -83.399 -56.762 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PRO . . . . . 0.466 ' O ' ' HD3' ' B' ' 16' ' ' ARG . 83.9 Cg_exo -44.04 124.61 4.91 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 125.033 3.822 . . . . 27.31 111.417 161.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.25 21.29 79.82 Favored Glycine 0 CA--C 1.523 0.581 0 O-C-N 121.205 -0.934 . . . . 20.05 114.451 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt 50.02 41.45 23.29 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 124.224 1.964 . . . . 20.91 111.705 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' B' ' 13' ' ' PRO . 37.2 mtp180 -73.93 168.6 19.14 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 113.665 -1.607 . . . . 41.75 109.02 174.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 37.0 m -75.39 140.87 43.25 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.346 -1.752 . . . . 17.4 110.948 -176.975 -51.835 142.582 96.125 102.688 2.001 104.421 -61.741 -63.843 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -106.81 125.08 50.55 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 102.684 -3.08 . . . . 16.49 102.684 177.694 -175.118 68.566 95.311 103.585 2.013 104.834 87.582 58.367 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -76.78 165.99 23.97 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 122.672 1.225 . . . . 15.76 112.578 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 pt -64.23 3.61 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 O-C-N 118.905 -2.372 . . . . 19.83 110.974 174.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -110.06 1.16 18.74 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 122.184 2.266 . . . . 25.62 109.405 178.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' B' ' 2' ' ' ARG . . . 86.2 28.95 26.57 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 116.183 1.233 . . . . 19.05 116.183 177.056 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -128.12 153.39 46.9 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 121.256 2.528 . . . . 23.46 107.756 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 62.5 m -95.1 145.18 25.17 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 113.652 0.982 . . . . 14.57 113.652 -177.05 -56.762 -83.399 -85.503 97.961 2.002 106.102 -77.089 -66.122 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.47 -164.49 30.06 Favored Glycine 0 CA--C 1.486 -1.732 0 C-N-CA 118.067 -2.016 . . . . 19.67 110.303 177.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . 0.492 ' HA ' ' SG ' ' B' ' 31' ' ' CYS . 1.6 p30 -151.48 20.75 0.73 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.388 1.255 . . . . 35.3 114.388 -174.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 3.5 p -111.22 -178.8 3.55 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.719 -1.956 . . . . 25.55 105.719 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -49.39 -46.24 77.62 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 118.34 2.719 . . . . 42.45 118.34 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.56 -19.74 61.21 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 124.671 3.58 . . . . 22.43 115.974 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -103.11 -33.02 9.38 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 107.875 -1.157 . . . . 19.47 107.875 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' B' ' 26' ' ' ASP . 78.8 m -111.16 -12.76 14.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 120.702 3.593 . . . . 18.04 120.702 -170.325 -63.843 -61.741 96.125 104.421 2.001 102.688 142.582 -51.835 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.51 -119.15 4.54 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 120.828 1.649 . . . . 22.64 111.797 -177.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -57.03 -42.72 80.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.156 1.782 . . . . 58.66 109.757 -173.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 9.8 p -99.52 26.75 5.82 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 116.595 2.072 . . . . 17.87 116.595 -179.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 42.7 t -84.35 141.84 30.6 Favored 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 120.237 -1.539 . . . . 14.1 107.844 174.627 178.261 -108.189 -83.236 105.441 2.002 105.226 -66.163 -54.257 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -102.42 -44.76 5.28 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 115.971 -1.966 . . . . 21.28 108.415 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.25 158.86 43.5 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 124.759 3.436 . . . . 27.45 111.26 -179.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 54.54 58.47 4.87 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 126.934 2.646 . . . . 19.29 106.775 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -98.16 158.75 15.37 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 115.926 -1.988 . . . . 15.42 116.08 -168.582 -54.257 -66.163 -83.236 105.226 2.002 105.441 -108.189 178.261 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -53.42 -38.72 63.73 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.621 1.555 . . . . 15.53 113.892 174.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.3 p -68.32 -11.08 58.93 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 118.339 -2.725 . . . . 23.6 114.149 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.13 1.03 84.43 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 116.514 1.366 . . . . 18.76 116.514 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.91 137.53 58.05 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.119 -1.813 . . . . 23.01 110.802 175.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -61.71 149.85 38.44 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 120.884 -1.135 . . . . 33.03 114.048 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 3.1 p -59.14 -34.68 72.35 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 122.508 1.147 . . . . 35.77 110.844 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -89.71 0.79 56.75 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.875 1.805 . . . . 27.37 115.875 174.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 58.11 29.16 17.44 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 119.21 -2.181 . . . . 26.1 116.079 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ARG . . . . . 0.607 HH21 ' HA3' ' B' ' 68' ' ' GLY . 0.0 OUTLIER -79.51 151.51 30.72 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 105.119 -2.178 . . . . 46.19 105.119 173.412 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 27.9 p -146.21 178.59 8.11 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 122.628 2.467 . . . . 13.01 105.652 171.614 60.506 113.525 82.532 106.758 2.018 109.113 68.127 178.731 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.16 172.05 28.58 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 121.334 -0.853 . . . . 13.49 112.029 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.94 -43.85 50.12 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 126.856 2.062 . . . . 19.51 115.1 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.0 -16.96 49.27 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 117.255 2.317 . . . . 19.5 117.255 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 16.1 m -128.87 29.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-O 122.456 1.122 . . . . 22.47 108.783 -179.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.12 20.49 69.89 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 118.678 2.231 . . . . 18.94 118.678 172.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 52.45 56.31 15.11 Favored Pre-proline 0 C--N 1.322 -0.592 0 O-C-N 121.716 -0.873 . . . . 22.34 113.102 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -68.39 165.31 29.35 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 N-CA-C 107.938 -1.601 . . . . 15.49 107.938 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -80.47 177.24 8.34 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 123.313 2.675 . . . . 13.8 112.567 172.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 93.4 m -120.73 171.49 8.56 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 103.561 -2.755 . . . . 16.13 103.561 175.162 -68.628 -56.11 -81.293 107.71 2.035 106.504 -73.505 -70.37 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.07 -173.17 49.2 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 114.197 -1.365 . . . . 16.64 111.824 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.91 131.03 47.35 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 123.99 0.916 . . . . 18.49 113.452 -177.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 56.59 27.86 13.08 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.823 1.192 . . . . 28.82 113.765 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -126.99 147.33 50.13 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 118.88 -2.387 . . . . 17.6 107.038 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 8.9 m -131.04 163.83 26.74 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 122.575 1.178 . . . . 19.08 108.086 -175.603 -44.459 102.527 100.767 110.333 2.016 94.137 -70.513 -60.099 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' CYS . . . . . . . . . . . . . 45.1 t -98.84 108.6 21.33 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.396 -1.335 . . . . 13.71 107.396 179.376 178.731 68.127 82.532 109.113 2.018 106.758 113.525 60.506 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 18.8 p -67.36 157.96 32.77 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.177 0.923 . . . . 15.74 112.579 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.16 -13.82 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 109.071 -0.714 . . . . 17.56 109.071 175.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -89.67 1.55 55.9 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 121.022 1.737 . . . . 20.49 112.661 178.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . 0.607 ' HA3' HH21 ' B' ' 48' ' ' ARG . . . 83.44 37.55 12.05 Favored Glycine 0 C--N 1.345 1.06 0 C-N-CA 125.287 1.422 . . . . 11.65 116.017 175.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -138.8 137.94 37.12 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 108.735 -0.839 . . . . 20.27 108.735 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' CYS . . . . . . . . . . . . . 88.7 m -83.93 142.54 30.47 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.673 1.233 . . . . 16.38 110.124 174.314 -70.37 -73.505 -81.293 106.504 2.035 107.71 -56.11 -68.628 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.0 179.55 47.45 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 108.777 -1.729 . . . . 14.62 108.777 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.75 162.6 13.18 Favored Glycine 0 C--O 1.24 0.516 0 C-N-CA 119.141 -1.504 . . . . 24.77 113.882 -176.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.47 -176.62 40.15 Favored Glycine 0 CA--C 1.5 -0.867 0 CA-C-N 112.996 -1.602 . . . . 30.83 115.59 171.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -57.35 -30.3 64.72 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.042 1.127 . . . . 43.27 114.042 -177.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ASP . . . . . 0.63 ' HA ' ' HD3' ' B' ' 81' ' ' LYS . 85.4 m-20 -69.33 -15.18 63.28 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 116.982 2.216 . . . . 33.44 116.982 178.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -119.56 -41.41 2.7 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.05 -1.432 . . . . 27.74 113.151 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 82.3 m -90.43 -24.31 20.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 119.433 3.123 . . . . 31.05 119.433 -170.094 -60.099 -70.513 100.767 94.137 2.016 110.333 102.527 -44.459 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 57.9 p -68.89 156.38 38.58 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 113.389 0.885 . . . . 44.21 113.389 -172.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.38 137.55 49.96 Favored Glycine 0 C--O 1.253 1.293 0 N-CA-C 105.776 -2.93 . . . . 41.18 105.776 165.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.71 -47.64 1.69 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 118.518 -1.801 . . . . 40.12 109.67 -178.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LYS . . . . . 0.63 ' HD3' ' HA ' ' B' ' 75' ' ' ASP . 11.7 mtpt -94.78 -13.05 25.99 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.944 0.878 . . . . 37.87 112.996 177.753 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' CYS . . . . . . . . . . . . . 21.3 t -106.2 144.26 33.16 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 119.72 -1.862 . . . . 19.64 111.344 -176.691 -168.701 -120.916 -96.097 101.251 2.014 99.389 -63.488 -50.314 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -109.25 -40.59 4.89 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.582 -1.645 . . . . 24.19 111.383 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -161.3 164.38 30.22 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 121.102 1.774 . . . . 18.47 109.001 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 52.88 47.44 24.66 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 126.528 1.931 . . . . 18.6 110.363 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' CYS . . . . . 0.526 ' HB2' ' HA ' ' B' ' 89' ' ' SER . 32.4 m -83.85 134.38 34.7 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 113.948 -1.478 . . . . 30.7 109.304 -173.745 -50.314 -63.488 -96.097 99.389 2.014 101.251 -120.916 -168.701 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 50.2 m -86.28 58.94 5.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 102.716 -3.068 . . . . 52.96 102.716 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 1.1 p 167.92 -78.59 0.0 OUTLIER 'General case' 0 C--O 1.242 0.689 0 CA-C-N 113.702 -1.59 . . . . 68.12 109.522 -170.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' B' ' 86' ' ' CYS . 57.8 m . . . . . 0 C--N 1.353 0.72 1 C-N-CA 133.776 4.831 . . . . 73.13 108.22 -177.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 90' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 92' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . 0.456 ' O ' ' HB3' ' A' ' 37' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . 0.529 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.761 0 CA-C-O 118.848 -0.596 . . . . 17.4 110.397 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 22' ' ' GLY . 1.7 mmt85 -76.36 146.99 38.39 Favored 'General case' 0 C--O 1.25 1.121 0 O-C-N 123.513 0.508 . . . . 47.1 111.876 175.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 31.2 p -161.05 167.38 26.5 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 122.899 1.333 . . . . 15.66 111.926 -177.338 63.893 83.083 99.324 108.779 2.012 103.071 70.371 -177.386 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.29 -161.91 53.27 Favored Glycine 0 C--O 1.224 -0.508 0 N-CA-C 116.097 1.199 . . . . 18.09 116.097 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -63.64 -25.86 68.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 120.665 -1.491 . . . . 21.97 113.837 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -99.8 1.02 42.72 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 120.733 -1.229 . . . . 31.41 110.185 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.56 51.8 0.76 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 121.772 2.078 . . . . 28.47 114.523 179.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.58 33.05 85.17 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 116.317 1.287 . . . . 31.38 116.317 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.18 2.3 39.45 Favored Glycine 0 N--CA 1.473 1.109 0 N-CA-C 121.197 3.239 . . . . 33.11 121.197 168.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.13 147.73 50.99 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 123.154 1.454 . . . . 34.72 113.251 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.287 17.8 m -101.37 141.63 33.97 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 102.872 -3.01 . . . . 39.18 102.872 174.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.83 139.97 96.0 Favored Pre-proline 0 C--O 1.24 0.593 0 O-C-N 119.396 -2.065 . . . . 25.6 115.385 -174.869 -61.573 -82.517 -86.045 100.387 1.984 100.386 -72.427 -59.519 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -51.28 126.44 19.16 Favored 'Trans proline' 0 CA--C 1.512 -0.59 0 C-N-CA 124.54 3.493 . . . . 28.38 111.106 171.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.9 23.91 58.84 Favored Glycine 0 C--O 1.237 0.295 0 CA-C-O 121.612 0.562 . . . . 16.62 113.187 176.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.529 ' HA ' ' O ' ' A' ' 180' ' ' HOH . 2.8 mm? 50.17 38.4 17.07 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 112.298 -1.951 . . . . 21.0 113.155 178.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -76.51 169.37 18.39 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-O 124.979 2.323 . . . . 27.92 111.737 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.8 m -71.97 142.31 49.4 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-N 112.491 -2.141 . . . . 14.9 111.811 -177.461 -47.058 152.113 94.72 104.759 1.975 102.362 -74.14 -53.759 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 t -111.1 125.53 53.87 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 105.048 -2.204 . . . . 15.67 105.048 176.661 -177.386 70.371 99.324 103.071 2.012 108.779 83.083 63.893 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.7 p -77.43 166.39 23.17 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-N 122.451 2.387 . . . . 16.23 109.9 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.7 pt -61.92 -13.83 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 O-C-N 119.553 -1.967 . . . . 15.51 112.128 175.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -89.51 4.17 50.09 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.491 1.663 . . . . 17.89 115.491 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 3' ' ' CYS . . . 83.65 27.8 37.56 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 117.232 -3.417 . . . . 16.65 115.783 174.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -130.14 148.56 51.99 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 120.769 2.285 . . . . 17.71 110.634 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.3 m -92.02 144.93 24.95 Favored 'General case' 0 CA--C 1.488 -1.406 0 C-N-CA 124.741 1.216 . . . . 16.06 112.445 -177.717 -59.519 -72.427 -86.045 100.386 1.984 100.387 -82.517 -61.573 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.17 -179.22 46.52 Favored Glycine 0 CA--C 1.49 -1.521 0 N-CA-C 107.611 -2.195 . . . . 17.85 107.611 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.7 7.3 6.82 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 112.642 -1.779 . . . . 39.36 111.085 -171.454 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 p -115.84 176.94 4.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 116.141 1.904 . . . . 20.48 116.141 -174.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -53.01 -37.76 52.39 Favored Pre-proline 0 CA--C 1.513 -0.448 0 O-C-N 118.177 -2.827 . . . . 40.67 114.114 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -62.89 -25.89 74.42 Favored 'Trans proline' 0 C--N 1.355 0.882 0 CA-C-N 124.363 2.594 . . . . 20.33 114.501 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -91.68 -38.57 12.34 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.739 -0.664 . . . . 17.63 112.007 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -108.87 -18.16 13.76 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 119.321 3.082 . . . . 14.03 119.321 -168.559 -53.759 -74.14 94.72 102.362 1.975 104.759 152.113 -47.058 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.19 -121.13 2.49 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 123.898 0.761 . . . . 15.74 112.25 -174.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -63.83 -34.66 78.42 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.853 1.427 . . . . 51.27 114.853 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 p -100.84 33.88 2.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 124.279 1.99 . . . . 16.43 113.692 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.8 t -96.72 138.71 33.87 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.067 -1.424 . . . . 13.13 109.214 178.796 177.665 -105.052 -80.735 104.22 2.012 101.642 -63.077 -49.06 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -99.46 -56.73 2.32 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.039 -0.982 . . . . 23.48 112.285 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 176' ' ' HOH . 32.8 m120 -126.22 148.89 49.37 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.201 1.401 . . . . 31.33 109.175 -177.49 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt 54.06 52.06 13.47 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 125.03 2.347 . . . . 14.92 113.781 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.8 m -86.29 155.93 20.46 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 112.399 -2.182 . . . . 12.35 110.671 -173.52 -49.06 -63.077 -80.735 101.642 2.012 104.22 -105.052 177.665 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -53.42 -37.47 62.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 121.212 -0.93 . . . . 21.44 112.239 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.1 p -75.92 -1.94 27.88 Favored 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 118.363 -2.711 . . . . 23.63 111.952 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.21 2.46 83.58 Favored Glycine 0 N--CA 1.429 -1.794 0 CA-C-O 117.354 -1.803 . . . . 16.07 112.402 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -68.19 146.03 53.78 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 121.756 2.778 . . . . 18.14 110.667 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -69.66 150.27 47.19 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-O 121.899 0.857 . . . . 19.6 111.192 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -55.92 -41.09 74.05 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 113.665 -1.607 . . . . 28.71 110.036 174.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -82.42 -0.53 46.57 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.549 1.685 . . . . 20.46 115.549 175.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 68.96 18.87 8.36 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 115.896 1.813 . . . . 19.43 115.896 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -78.01 158.67 29.16 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 117.394 -1.289 . . . . 38.65 107.951 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 56' ' ' PRO . 32.1 p -152.47 -171.24 3.87 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.162 1.385 . . . . 19.21 109.485 175.819 64.55 108.057 96.561 104.595 2.017 106.801 58.872 -176.103 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.45 166.11 40.06 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 124.599 3.363 . . . . 22.03 112.706 -177.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.79 -35.04 63.43 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 114.929 1.455 . . . . 26.96 114.929 -174.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.55 -29.45 70.02 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 113.585 0.958 . . . . 27.36 113.585 -176.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -115.22 30.79 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 C-N-CA 118.624 -1.231 . . . . 21.34 109.821 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.41 21.7 66.48 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-O 118.022 -1.432 . . . . 20.95 115.721 173.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 52.15 56.02 15.33 Favored Pre-proline 0 C--O 1.246 0.887 0 CA-C-N 120.091 1.946 . . . . 19.98 116.07 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HG2' ' HA ' ' A' ' 49' ' ' CYS . 92.3 Cg_endo -62.8 155.35 60.18 Favored 'Trans proline' 0 N--CA 1.441 -1.563 0 C-N-CA 121.561 1.508 . . . . 16.5 110.859 172.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -66.08 -179.65 1.5 Allowed 'Trans proline' 0 N--CA 1.445 -1.381 0 C-N-CA 121.985 1.79 . . . . 18.11 113.828 169.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.7 m -128.7 160.46 32.41 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 105.535 -2.024 . . . . 14.17 105.535 171.971 -65.476 -57.453 -79.865 105.941 2.057 106.242 -71.461 -74.338 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.73 -172.24 9.45 Favored Glycine 0 N--CA 1.435 -1.406 0 O-C-N 119.799 -1.813 . . . . 11.67 109.883 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -63.68 118.98 9.03 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 109.717 -3.241 . . . . 24.11 109.303 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 65.47 35.2 7.45 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 125.803 1.939 . . . . 20.56 115.531 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -129.34 151.6 49.81 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 104.041 -2.577 . . . . 14.71 104.041 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 87' ' ' SER . 56.5 m -130.7 164.2 25.58 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 118.596 -0.716 . . . . 15.87 110.129 -177.304 -53.931 106.436 95.497 104.345 2.007 96.304 -68.948 -60.921 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.2 t -98.44 106.31 18.57 Favored 'General case' 0 N--CA 1.433 -1.287 0 O-C-N 124.532 1.145 . . . . 18.39 109.311 178.27 -176.103 58.872 96.561 106.801 2.017 104.595 108.057 64.55 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 p -67.92 162.19 24.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 122.52 1.152 . . . . 15.49 110.477 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.56 -8.7 10.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 O-C-N 120.391 -1.443 . . . . 18.78 110.539 177.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -88.51 -18.53 27.99 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 120.757 -1.215 . . . . 21.56 110.407 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.17 35.53 3.13 Favored Glycine 0 CA--C 1.481 -2.048 0 CA-C-O 121.857 0.699 . . . . 17.03 112.761 169.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -138.48 135.46 35.18 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.541 -1.33 . . . . 24.5 110.339 -175.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 58.8 m -82.85 146.03 29.14 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 107.083 -1.451 . . . . 18.6 107.083 177.68 -74.338 -71.461 -79.865 106.242 2.057 105.941 -57.453 -65.476 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.27 169.3 38.25 Favored Glycine 0 CA--C 1.499 -0.921 0 C-N-CA 118.842 -1.647 . . . . 15.74 111.507 176.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.64 154.11 19.98 Favored Glycine 0 C--N 1.311 -0.85 0 CA-C-O 122.307 0.948 . . . . 22.54 112.583 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.96 175.68 39.51 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-O 127.8 4.0 . . . . 23.9 115.346 175.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -54.54 -31.21 56.01 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 110.503 -2.849 . . . . 40.22 115.992 -175.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.73 -29.85 69.18 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 119.549 -1.969 . . . . 31.41 115.479 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -101.1 -30.7 11.44 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 126.39 2.306 . . . . 20.09 114.163 -178.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 87' ' ' SER . 77.3 m -113.74 -13.43 12.66 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 117.63 2.455 . . . . 18.41 117.63 -169.58 -60.921 -68.948 95.497 96.304 2.007 104.345 106.436 -53.931 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.6 m -88.77 134.26 33.98 Favored 'General case' 0 CA--C 1.501 -0.907 0 O-C-N 120.546 -1.346 . . . . 33.34 108.216 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.69 144.09 6.0 Favored Glycine 0 CA--C 1.497 -1.062 0 O-C-N 125.257 1.598 . . . . 35.56 111.01 -169.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.92 -48.97 1.78 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 121.388 2.594 . . . . 27.54 107.2 -174.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 81' ' ' LYS . 11.0 mmpt? -90.25 -17.9 26.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.415 1.107 . . . . 33.41 113.14 175.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.2 t -108.82 133.11 53.3 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 119.908 -1.745 . . . . 17.42 114.256 -175.397 177.306 -106.119 -91.595 108.424 2.031 98.91 -58.936 -54.198 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -95.04 -37.78 10.95 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 116.817 -1.563 . . . . 24.2 111.367 175.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -156.28 161.35 40.22 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 123.848 3.022 . . . . 17.02 109.061 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 58.68 46.82 13.88 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 126.203 2.19 . . . . 22.41 107.558 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 57.1 m -79.94 125.7 30.07 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 117.284 -1.341 . . . . 38.05 112.027 -172.132 -54.198 -58.936 -91.595 98.91 2.031 108.424 -106.119 177.306 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' SER . . . . . 0.439 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 37.2 m -91.87 -61.24 1.67 Allowed 'General case' 0 C--O 1.239 0.541 0 N-CA-C 121.276 3.806 . . . . 59.05 121.276 -174.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.28 23.23 0.09 Allowed 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 120.67 3.581 . . . . 63.74 120.67 -169.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.432 -1.353 1 N-CA-C 122.031 4.086 . . . . 65.32 122.031 -163.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.956 0.884 . . . . 32.75 109.867 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' B' ' 22' ' ' GLY . 1.6 mmp_? -89.44 149.69 22.84 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 113.439 -1.71 . . . . 32.54 109.363 -174.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -164.55 177.57 8.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.496 -0.32 . . . . 22.26 111.429 -173.202 58.367 87.582 95.311 104.834 2.013 103.585 68.566 -175.118 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.52 -163.0 36.52 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 111.237 -0.745 . . . . 26.86 111.237 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.9 p -68.22 -38.9 82.37 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.452 -0.499 . . . . 37.62 111.208 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.14 -35.97 61.63 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.007 -1.683 . . . . 39.58 114.209 -176.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.22 37.73 3.33 Favored Glycine 0 N--CA 1.439 -1.121 0 N-CA-C 108.797 -1.721 . . . . 35.75 108.797 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.16 -88.83 1.13 Allowed Glycine 0 C--O 1.243 0.666 0 O-C-N 121.347 -1.09 . . . . 43.01 114.548 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.51 3.79 0.04 OUTLIER Glycine 0 C--N 1.338 0.694 0 C-N-CA 119.021 -1.562 . . . . 36.96 116.809 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.34 168.4 19.07 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 119.177 3.029 . . . . 31.88 119.177 -177.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.5 m -98.68 138.46 35.82 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 105.772 -1.936 . . . . 29.16 105.772 172.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 95.0 m -55.93 146.23 49.52 Favored Pre-proline 0 CA--C 1.508 -0.637 0 O-C-N 119.647 -1.908 . . . . 24.56 115.437 177.252 -66.122 -77.089 -85.503 106.102 2.002 97.961 -83.399 -56.762 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.466 ' O ' ' HD3' ' B' ' 16' ' ' ARG . 83.9 Cg_exo -44.04 124.61 4.91 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 125.033 3.822 . . . . 27.31 111.417 161.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.25 21.29 79.82 Favored Glycine 0 CA--C 1.523 0.581 0 O-C-N 121.205 -0.934 . . . . 20.05 114.451 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt 50.02 41.45 23.29 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 124.224 1.964 . . . . 20.91 111.705 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' B' ' 13' ' ' PRO . 37.2 mtp180 -73.93 168.6 19.14 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 113.665 -1.607 . . . . 41.75 109.02 174.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 37.0 m -75.39 140.87 43.25 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.346 -1.752 . . . . 17.4 110.948 -176.975 -51.835 142.582 96.125 102.688 2.001 104.421 -61.741 -63.843 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -106.81 125.08 50.55 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 102.684 -3.08 . . . . 16.49 102.684 177.694 -175.118 68.566 95.311 103.585 2.013 104.834 87.582 58.367 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -76.78 165.99 23.97 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 122.672 1.225 . . . . 15.76 112.578 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 pt -64.23 3.61 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 O-C-N 118.905 -2.372 . . . . 19.83 110.974 174.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -110.06 1.16 18.74 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 122.184 2.266 . . . . 25.62 109.405 178.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' B' ' 2' ' ' ARG . . . 86.2 28.95 26.57 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 116.183 1.233 . . . . 19.05 116.183 177.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -128.12 153.39 46.9 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 121.256 2.528 . . . . 23.46 107.756 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 62.5 m -95.1 145.18 25.17 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 113.652 0.982 . . . . 14.57 113.652 -177.05 -56.762 -83.399 -85.503 97.961 2.002 106.102 -77.089 -66.122 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.47 -164.49 30.06 Favored Glycine 0 CA--C 1.486 -1.732 0 C-N-CA 118.067 -2.016 . . . . 19.67 110.303 177.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.492 ' HA ' ' SG ' ' B' ' 31' ' ' CYS . 1.6 p30 -151.48 20.75 0.73 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.388 1.255 . . . . 35.3 114.388 -174.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 3.5 p -111.22 -178.8 3.55 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.719 -1.956 . . . . 25.55 105.719 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -49.39 -46.24 77.62 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 118.34 2.719 . . . . 42.45 118.34 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.56 -19.74 61.21 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 124.671 3.58 . . . . 22.43 115.974 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -103.11 -33.02 9.38 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 107.875 -1.157 . . . . 19.47 107.875 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' B' ' 26' ' ' ASP . 78.8 m -111.16 -12.76 14.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 120.702 3.593 . . . . 18.04 120.702 -170.325 -63.843 -61.741 96.125 104.421 2.001 102.688 142.582 -51.835 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.51 -119.15 4.54 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 120.828 1.649 . . . . 22.64 111.797 -177.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -57.03 -42.72 80.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.156 1.782 . . . . 58.66 109.757 -173.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 9.8 p -99.52 26.75 5.82 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 116.595 2.072 . . . . 17.87 116.595 -179.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 42.7 t -84.35 141.84 30.6 Favored 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 120.237 -1.539 . . . . 14.1 107.844 174.627 178.261 -108.189 -83.236 105.441 2.002 105.226 -66.163 -54.257 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -102.42 -44.76 5.28 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 115.971 -1.966 . . . . 21.28 108.415 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.25 158.86 43.5 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 124.759 3.436 . . . . 27.45 111.26 -179.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 54.54 58.47 4.87 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 126.934 2.646 . . . . 19.29 106.775 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -98.16 158.75 15.37 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 115.926 -1.988 . . . . 15.42 116.08 -168.582 -54.257 -66.163 -83.236 105.226 2.002 105.441 -108.189 178.261 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -53.42 -38.72 63.73 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.621 1.555 . . . . 15.53 113.892 174.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.3 p -68.32 -11.08 58.93 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 118.339 -2.725 . . . . 23.6 114.149 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.13 1.03 84.43 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 116.514 1.366 . . . . 18.76 116.514 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.91 137.53 58.05 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.119 -1.813 . . . . 23.01 110.802 175.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -61.71 149.85 38.44 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 120.884 -1.135 . . . . 33.03 114.048 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 3.1 p -59.14 -34.68 72.35 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 122.508 1.147 . . . . 35.77 110.844 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -89.71 0.79 56.75 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.875 1.805 . . . . 27.37 115.875 174.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 58.11 29.16 17.44 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 119.21 -2.181 . . . . 26.1 116.079 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.607 HH21 ' HA3' ' B' ' 68' ' ' GLY . 0.0 OUTLIER -79.51 151.51 30.72 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 105.119 -2.178 . . . . 46.19 105.119 173.412 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 27.9 p -146.21 178.59 8.11 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 122.628 2.467 . . . . 13.01 105.652 171.614 60.506 113.525 82.532 106.758 2.018 109.113 68.127 178.731 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.16 172.05 28.58 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 121.334 -0.853 . . . . 13.49 112.029 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.94 -43.85 50.12 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 126.856 2.062 . . . . 19.51 115.1 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.0 -16.96 49.27 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 117.255 2.317 . . . . 19.5 117.255 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 16.1 m -128.87 29.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-O 122.456 1.122 . . . . 22.47 108.783 -179.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.12 20.49 69.89 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 118.678 2.231 . . . . 18.94 118.678 172.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 52.45 56.31 15.11 Favored Pre-proline 0 C--N 1.322 -0.592 0 O-C-N 121.716 -0.873 . . . . 22.34 113.102 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -68.39 165.31 29.35 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 N-CA-C 107.938 -1.601 . . . . 15.49 107.938 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -80.47 177.24 8.34 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 123.313 2.675 . . . . 13.8 112.567 172.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 93.4 m -120.73 171.49 8.56 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 103.561 -2.755 . . . . 16.13 103.561 175.162 -68.628 -56.11 -81.293 107.71 2.035 106.504 -73.505 -70.37 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.07 -173.17 49.2 Favored Glycine 0 C--N 1.335 0.481 0 CA-C-N 114.197 -1.365 . . . . 16.64 111.824 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.91 131.03 47.35 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 123.99 0.916 . . . . 18.49 113.452 -177.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 56.59 27.86 13.08 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.823 1.192 . . . . 28.82 113.765 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -126.99 147.33 50.13 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 118.88 -2.387 . . . . 17.6 107.038 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 8.9 m -131.04 163.83 26.74 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 122.575 1.178 . . . . 19.08 108.086 -175.603 -44.459 102.527 100.767 110.333 2.016 94.137 -70.513 -60.099 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' CYS . . . . . . . . . . . . . 45.1 t -98.84 108.6 21.33 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.396 -1.335 . . . . 13.71 107.396 179.376 178.731 68.127 82.532 109.113 2.018 106.758 113.525 60.506 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 18.8 p -67.36 157.96 32.77 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.177 0.923 . . . . 15.74 112.579 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.16 -13.82 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 N-CA-C 109.071 -0.714 . . . . 17.56 109.071 175.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -89.67 1.55 55.9 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 121.022 1.737 . . . . 20.49 112.661 178.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.607 ' HA3' HH21 ' B' ' 48' ' ' ARG . . . 83.44 37.55 12.05 Favored Glycine 0 C--N 1.345 1.06 0 C-N-CA 125.287 1.422 . . . . 11.65 116.017 175.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -138.8 137.94 37.12 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 108.735 -0.839 . . . . 20.27 108.735 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' CYS . . . . . . . . . . . . . 88.7 m -83.93 142.54 30.47 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.673 1.233 . . . . 16.38 110.124 174.314 -70.37 -73.505 -81.293 106.504 2.035 107.71 -56.11 -68.628 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.0 179.55 47.45 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 108.777 -1.729 . . . . 14.62 108.777 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.75 162.6 13.18 Favored Glycine 0 C--O 1.24 0.516 0 C-N-CA 119.141 -1.504 . . . . 24.77 113.882 -176.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.47 -176.62 40.15 Favored Glycine 0 CA--C 1.5 -0.867 0 CA-C-N 112.996 -1.602 . . . . 30.83 115.59 171.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -57.35 -30.3 64.72 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.042 1.127 . . . . 43.27 114.042 -177.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ASP . . . . . 0.63 ' HA ' ' HD3' ' B' ' 81' ' ' LYS . 85.4 m-20 -69.33 -15.18 63.28 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 116.982 2.216 . . . . 33.44 116.982 178.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -119.56 -41.41 2.7 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.05 -1.432 . . . . 27.74 113.151 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 82.3 m -90.43 -24.31 20.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 119.433 3.123 . . . . 31.05 119.433 -170.094 -60.099 -70.513 100.767 94.137 2.016 110.333 102.527 -44.459 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 57.9 p -68.89 156.38 38.58 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 113.389 0.885 . . . . 44.21 113.389 -172.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.38 137.55 49.96 Favored Glycine 0 C--O 1.253 1.293 0 N-CA-C 105.776 -2.93 . . . . 41.18 105.776 165.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.71 -47.64 1.69 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 118.518 -1.801 . . . . 40.12 109.67 -178.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LYS . . . . . 0.63 ' HD3' ' HA ' ' B' ' 75' ' ' ASP . 11.7 mtpt -94.78 -13.05 25.99 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.944 0.878 . . . . 37.87 112.996 177.753 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' CYS . . . . . . . . . . . . . 21.3 t -106.2 144.26 33.16 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 119.72 -1.862 . . . . 19.64 111.344 -176.691 -168.701 -120.916 -96.097 101.251 2.014 99.389 -63.488 -50.314 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -109.25 -40.59 4.89 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.582 -1.645 . . . . 24.19 111.383 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -161.3 164.38 30.22 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 121.102 1.774 . . . . 18.47 109.001 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 52.88 47.44 24.66 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 126.528 1.931 . . . . 18.6 110.363 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' CYS . . . . . 0.526 ' HB2' ' HA ' ' B' ' 89' ' ' SER . 32.4 m -83.85 134.38 34.7 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 113.948 -1.478 . . . . 30.7 109.304 -173.745 -50.314 -63.488 -96.097 99.389 2.014 101.251 -120.916 -168.701 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 50.2 m -86.28 58.94 5.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 102.716 -3.068 . . . . 52.96 102.716 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 1.1 p 167.92 -78.59 0.0 OUTLIER 'General case' 0 C--O 1.242 0.689 0 CA-C-N 113.702 -1.59 . . . . 68.12 109.522 -170.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' B' ' 86' ' ' CYS . 57.8 m . . . . . 0 C--N 1.353 0.72 1 C-N-CA 133.776 4.831 . . . . 73.13 108.22 -177.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . 0.456 ' O ' ' HB3' ' A' ' 37' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . 0.529 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_