data_6iwm_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6iwm _Structure_validation_residue.Date_analyzed 2019-12-06 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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.368 0 CA-C-O 120.615 0.245 . . . . 49.62 110.951 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 t -138.57 133.73 42.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.08 0.952 . . . . 51.89 108.733 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.1 p -118.4 160.28 21.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 107.944 -1.132 . . . . 41.73 107.944 169.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.3 m -64.28 -28.26 69.6 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 118.473 -1.291 . . . . 54.21 111.545 -179.578 -71.676 -9.767 -81.011 107.808 2.046 105.219 -64.168 -65.399 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.58 96.86 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 119.871 -1.157 . . . . 35.28 112.415 174.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.24 -44.56 94.87 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 122.297 -0.531 . . . . 61.17 111.46 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.1 t -57.94 -49.06 82.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.566 -0.453 . . . . 32.73 110.889 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -59.04 -45.38 90.9 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.927 0.394 . . . . 42.0 111.155 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.74 -43.49 75.78 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 119.637 -0.825 . . . . 34.33 111.45 -178.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -67.06 -32.76 74.16 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.253 -0.579 . . . . 38.65 112.541 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.28 -12.12 41.55 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.155 -1.018 . . . . 46.39 112.712 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.72 -48.42 83.07 Favored Pre-proline 0 C--O 1.241 0.609 0 N-CA-C 114.311 1.226 . . . . 35.69 114.311 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -65.2 -12.11 33.22 Favored 'Trans proline' 0 N--CA 1.478 0.599 0 CA-C-N 121.676 1.634 . . . . 33.47 114.004 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.7 m -83.63 -9.86 58.61 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 119.399 1.0 . . . . 33.0 113.206 176.632 -59.022 -65.761 98.751 103.199 2.049 104.216 59.093 169.104 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.86 -44.02 98.43 Favored Pre-proline 0 C--O 1.247 0.942 0 CA-C-O 118.533 -0.746 . . . . 41.11 111.932 -173.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.69 -50.01 13.98 Favored 'Trans proline' 0 N--CA 1.475 0.406 0 CA-C-N 121.189 1.461 . . . . 42.61 113.031 175.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -60.18 -41.74 93.54 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.877 -0.729 . . . . 38.11 111.132 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.63 -26.27 63.4 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.27 0.47 . . . . 38.93 112.27 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.1 p -105.94 -16.61 14.59 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 113.55 0.945 . . . . 46.26 113.55 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -126.48 -7.43 6.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.164 0.801 . . . . 71.89 113.164 -176.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.98 -164.58 54.57 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-O 122.661 1.145 . . . . 49.88 111.643 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.94 -129.58 9.94 Favored Glycine 0 CA--C 1.522 0.477 0 CA-C-N 114.268 -0.966 . . . . 45.4 110.717 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -127.23 141.43 40.76 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.092 -0.707 . . . . 52.06 109.092 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.33 136.63 31.95 Favored 'Trans proline' 0 C--O 1.236 0.407 0 N-CA-C 109.874 -0.856 . . . . 35.0 109.874 175.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.09 173.24 55.18 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-O 122.009 0.783 . . . . 35.78 112.675 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.25 86.82 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 119.932 -0.707 . . . . 28.19 111.133 -177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.06 94.57 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.762 -0.586 . . . . 30.01 111.31 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 t -60.97 -48.46 81.71 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.112 0.482 . . . . 29.0 110.767 177.307 169.104 59.093 98.751 104.216 2.049 103.199 -65.761 -59.022 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.04 -34.43 77.69 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 118.938 -1.105 . . . . 31.39 110.639 -177.248 -66.31 -56.707 -74.735 103.483 2.059 102.216 -66.604 -70.833 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.6 t -62.97 -43.3 99.18 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.435 -0.906 . . . . 28.9 110.923 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.09 -40.14 98.54 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 119.528 -1.32 . . . . 29.0 111.864 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.88 -39.86 86.96 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 C-N-CA 119.984 -0.686 . . . . 34.26 110.622 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -64.95 -42.39 94.67 Favored 'General case' 0 C--O 1.247 0.946 0 C-N-CA 119.405 -0.918 . . . . 50.83 111.41 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 m -56.74 -49.99 73.58 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 120.611 -0.436 . . . . 38.41 111.316 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.0 -47.22 78.15 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.965 -0.694 . . . . 43.16 111.14 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -56.34 -43.69 79.32 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.395 -0.522 . . . . 44.32 111.221 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.81 -27.03 67.78 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.272 -0.966 . . . . 33.89 114.535 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -81.25 -20.87 40.03 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.589 0.959 . . . . 48.82 113.589 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.47 77.07 5.08 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.099 0.952 . . . . 32.78 109.009 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -90.91 -47.71 7.43 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.86 1.059 . . . . 67.67 113.86 -170.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.4 p -84.71 158.98 58.93 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 123.276 0.63 . . . . 36.09 111.767 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.51 -32.99 95.71 Favored 'Trans proline' 0 C--O 1.24 0.616 0 CA-C-N 118.201 0.393 . . . . 39.25 111.901 172.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -67.43 -44.7 78.06 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 119.664 -0.814 . . . . 39.69 111.101 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -53.25 -43.33 67.29 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.669 0.271 . . . . 35.45 111.073 172.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -66.1 -44.34 84.66 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.26 -0.275 . . . . 33.83 111.448 -177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -64.51 -39.36 93.64 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 118.463 -1.295 . . . . 48.17 111.478 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 m -61.22 -49.87 75.37 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.221 0.534 . . . . 30.41 110.465 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.97 -41.1 77.74 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.319 -0.4 . . . . 25.52 111.75 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.9 t -61.12 -44.08 97.89 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.139 -0.624 . . . . 31.02 110.936 -177.43 174.445 -82.177 -81.046 104.069 2.098 105.817 -71.05 -70.484 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -69.19 -35.57 76.38 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 119.556 -0.858 . . . . 34.43 111.494 -179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.6 m -64.13 -42.63 96.75 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.69 -0.804 . . . . 34.42 111.25 174.79 -65.399 -64.168 -81.011 105.219 2.046 107.808 -9.767 -71.676 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.43 -39.65 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 O-C-N 122.064 -0.398 . . . . 33.46 110.369 -177.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.45 -47.58 78.84 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 121.834 -0.541 . . . . 35.75 111.148 174.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.67 -47.43 79.82 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.29 -0.564 . . . . 32.06 111.043 175.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.94 96.56 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.494 -0.482 . . . . 34.32 111.457 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.1 81.47 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 122.017 -0.427 . . . . 36.25 111.237 179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -74.89 -18.24 60.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.182 -1.007 . . . . 39.51 112.015 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -72.89 -40.84 65.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 117.977 0.353 . . . . 47.97 111.845 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -73.7 125.86 90.13 Favored Pre-proline 0 C--N 1.322 -0.615 0 O-C-N 122.194 -0.316 . . . . 43.03 111.202 -165.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -66.08 129.25 21.36 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 120.306 0.671 . . . . 57.13 111.698 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 m120 65.18 37.02 6.79 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.321 -0.854 . . . . 61.66 111.902 173.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.98 136.48 58.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.146 -0.479 . . . . 48.48 110.305 175.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -96.35 116.52 29.17 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 109.221 -0.659 . . . . 61.18 109.221 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -63.26 -31.95 73.23 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.35 -0.94 . . . . 63.85 110.514 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -63.52 -44.75 93.37 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.69 0.281 . . . . 66.84 111.637 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.16 99.47 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.034 -0.666 . . . . 42.23 110.336 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.24 -41.11 83.43 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.79 -0.364 . . . . 37.21 110.747 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -73.01 -28.42 62.35 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 119.777 -0.769 . . . . 55.42 111.561 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -92.59 -9.05 42.5 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 113.803 1.038 . . . . 51.53 113.803 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.9 tp -53.26 -50.68 81.18 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 114.524 1.305 . . . . 36.95 114.524 -175.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -58.72 -43.86 41.06 Favored 'Trans proline' 0 C--O 1.238 0.515 0 CA-C-N 121.194 1.462 . . . . 39.32 114.493 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.4 p -68.43 -39.1 81.67 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.754 -0.778 . . . . 54.13 111.295 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -60.36 -35.55 75.94 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.694 -0.802 . . . . 46.35 111.096 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.3 m -82.59 -7.12 59.66 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.513 0.931 . . . . 40.79 113.513 177.098 -70.833 -66.604 -74.735 102.216 2.059 103.483 -56.707 -66.31 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.28 28.74 65.47 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 118.632 0.651 . . . . 51.5 113.74 -175.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.8 mt -117.41 147.38 20.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-N 117.982 0.891 . . . . 56.12 108.651 -178.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -96.75 86.88 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.163 -1.051 . . . . 60.51 108.163 167.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.36 122.81 22.65 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.72 -0.844 . . . . 38.27 108.72 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -80.59 6.06 13.67 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 113.867 1.062 . . . . 45.73 113.867 -172.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.38 137.52 26.54 Favored Pre-proline 0 C--O 1.239 0.515 0 CA-C-N 119.011 0.823 . . . . 37.54 109.688 176.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -67.02 150.2 82.68 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 120.526 0.818 . . . . 34.78 111.981 175.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.5 mt -105.54 108.92 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.024 -1.102 . . . . 35.3 108.024 171.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.2 t -154.03 143.23 21.34 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 119.397 -0.921 . . . . 34.4 112.189 -173.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -74.66 -20.88 59.7 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.261 0.837 . . . . 68.66 113.261 172.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.4 p -122.2 -4.63 8.94 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 114.555 1.317 . . . . 39.58 114.555 -169.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.6 tt -61.93 139.14 21.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 119.033 0.833 . . . . 37.93 111.315 -172.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -81.79 104.78 12.42 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.247 -1.39 . . . . 36.41 107.247 165.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 87.3 m -66.39 -16.64 64.24 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 119.935 -0.706 . . . . 30.9 112.81 -173.027 -70.484 -71.05 -81.046 105.817 2.098 104.069 -82.177 174.445 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -61.33 -24.04 66.16 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.374 0.988 . . . . 39.46 112.321 174.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.1 p -82.99 -6.78 59.62 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 114.692 1.367 . . . . 37.1 114.692 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.0 pt -88.43 160.5 2.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 119.99 1.268 . . . . 37.85 108.996 -174.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 C--O 1.253 1.247 0 N-CA-C 114.192 1.182 . . . . 43.57 114.192 -174.097 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 111.825 0.306 . . . . 56.09 111.825 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 23.7 p -124.24 161.11 26.47 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 121.223 -0.923 . . . . 41.51 109.754 170.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 66.0 m -65.88 -28.31 68.86 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.347 -0.941 . . . . 43.54 111.941 178.601 -72.716 -10.902 -82.105 108.433 2.048 102.476 -63.285 -66.149 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.19 -42.26 96.48 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 119.541 -1.314 . . . . 42.61 112.464 176.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -64.02 -44.48 92.43 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.08 -0.648 . . . . 72.14 111.344 175.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.24 -46.88 81.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.063 0.458 . . . . 38.03 110.095 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -57.44 -41.91 81.43 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 121.909 -0.495 . . . . 48.55 110.639 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.76 93.35 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.193 -0.458 . . . . 50.16 111.221 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -64.7 -35.54 81.37 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.366 -0.534 . . . . 55.57 110.709 -178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.54 -14.05 36.0 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 113.947 1.092 . . . . 43.68 113.947 -175.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.35 -49.05 79.21 Favored Pre-proline 0 C--O 1.24 0.596 0 N-CA-C 114.845 1.424 . . . . 43.62 114.845 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -67.06 -10.53 28.9 Favored 'Trans proline' 0 C--O 1.235 0.373 0 CA-C-N 121.687 1.638 . . . . 47.24 113.841 179.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 81.8 m -86.07 -11.21 53.39 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.413 0.894 . . . . 37.98 113.413 177.712 -59.212 -67.692 98.223 104.456 2.072 104.057 60.552 166.734 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -58.71 -42.88 96.69 Favored Pre-proline 0 C--O 1.242 0.678 0 CA-C-O 118.59 -0.719 . . . . 43.13 111.89 -174.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -57.23 -50.3 11.55 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 CA-C-N 121.461 1.557 . . . . 42.77 112.797 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -61.18 -43.01 99.55 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 119.674 -0.81 . . . . 33.88 111.265 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.88 -24.92 64.38 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 119.799 -0.76 . . . . 36.18 112.313 -175.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -103.21 -17.4 15.36 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 114.041 1.126 . . . . 40.47 114.041 -178.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -126.76 -5.98 6.28 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 114.495 1.294 . . . . 63.99 114.495 -174.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.15 -165.75 53.47 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-O 122.653 1.141 . . . . 40.34 112.916 -176.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.05 -126.36 8.82 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.841 -0.903 . . . . 36.24 110.841 -175.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -127.43 147.24 61.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 124.772 1.229 . . . . 37.02 109.148 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.78 -46.2 7.12 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 CA-C-N 118.986 0.674 . . . . 44.48 113.364 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.08 165.18 39.89 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-O 122.409 1.005 . . . . 50.14 111.611 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.24 94.77 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.238 -0.981 . . . . 48.71 112.432 -168.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.17 94.46 Favored 'General case' 0 C--O 1.243 0.722 0 C-N-CA 120.689 -0.404 . . . . 45.49 110.9 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.29 -47.57 85.45 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.632 -0.427 . . . . 42.66 110.619 177.135 166.734 60.552 98.223 104.057 2.072 104.456 -67.692 -59.212 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 88.6 m -66.02 -35.26 80.08 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.306 -0.958 . . . . 39.23 111.481 -177.073 -66.924 -56.352 -74.035 104.651 2.051 102.165 -61.58 -66.648 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -65.51 -44.84 85.73 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.386 -0.925 . . . . 53.52 110.858 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.35 97.58 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.697 -1.239 . . . . 47.54 112.244 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -67.69 -37.1 78.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 119.886 -0.726 . . . . 41.0 110.702 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -65.36 -41.48 93.78 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 118.777 -1.169 . . . . 59.86 110.717 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 23.6 m -58.67 -49.79 76.24 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.071 0.463 . . . . 53.24 111.01 175.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.37 -48.19 74.65 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.879 0.371 . . . . 47.85 111.099 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -60.29 -39.75 88.0 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 122.325 -0.234 . . . . 53.02 111.241 -179.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.76 -25.35 75.65 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 120.43 -0.89 . . . . 59.32 112.101 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -81.5 -22.09 38.21 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.597 0.591 . . . . 71.74 112.597 173.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.9 62.28 1.31 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.777 0.798 . . . . 58.13 110.977 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLN . . . . . 0.523 ' O ' ' NH1' ' B' ' 45' ' ' ARG . 10.1 mm100 -100.19 -44.72 5.87 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 113.11 0.782 . . . . 67.57 113.11 -175.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.7 p -76.34 159.12 80.64 Favored Pre-proline 0 N--CA 1.451 -0.389 0 C-N-CA 119.807 -0.757 . . . . 60.39 109.113 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.75 -38.21 93.83 Favored 'Trans proline' 0 C--O 1.241 0.631 0 N-CA-C 113.921 0.7 . . . . 58.23 113.921 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -71.6 -45.1 63.14 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.474 -0.49 . . . . 46.26 111.655 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -54.79 -39.97 68.98 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.835 -0.346 . . . . 62.71 110.814 171.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' B' ' 40' ' ' GLN . 67.0 mtt85 -64.39 -48.1 76.73 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.321 -0.552 . . . . 65.72 110.679 -178.266 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -64.97 -41.89 95.06 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 119.758 -0.777 . . . . 65.21 111.428 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 25.1 m -61.84 -52.52 63.83 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 120.66 -0.416 . . . . 35.68 111.204 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -39.55 72.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 120.191 -0.604 . . . . 36.22 110.715 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.23 -45.69 92.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.804 0.335 . . . . 38.6 111.053 -178.366 176.098 -80.56 -80.318 104.978 2.066 103.572 -67.631 -67.228 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -69.05 -33.96 74.41 Favored 'General case' 0 C--O 1.251 1.173 0 C-N-CA 118.57 -1.252 . . . . 31.64 111.276 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 94.8 m -63.04 -42.83 99.83 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 120.142 -0.623 . . . . 34.13 111.335 174.489 -66.149 -63.285 -82.105 102.476 2.048 108.433 -10.902 -72.716 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -66.51 -39.66 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 CA-C-N 116.255 -0.429 . . . . 45.7 110.57 -178.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.42 -47.26 82.22 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 120.834 0.35 . . . . 46.75 110.776 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.36 84.0 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.619 -0.832 . . . . 35.45 111.091 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.68 80.7 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 119.706 -0.798 . . . . 38.46 111.093 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.03 76.23 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 121.871 -0.518 . . . . 40.28 110.904 -178.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -73.32 -20.95 60.67 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 118.963 -1.095 . . . . 50.63 111.528 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -73.01 -39.3 66.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.42 -0.175 . . . . 54.4 111.427 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -73.41 125.33 90.79 Favored Pre-proline 0 C--O 1.236 0.367 0 O-C-N 122.28 -0.263 . . . . 52.54 110.621 -168.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -67.7 132.16 26.17 Favored 'Trans proline' 0 C--N 1.331 -0.37 0 C-N-CA 120.732 0.954 . . . . 52.35 111.807 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 64.85 40.92 5.19 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.076 -0.511 . . . . 60.8 111.389 171.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 tp -57.45 132.57 53.52 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.317 -0.553 . . . . 42.54 110.004 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -95.63 116.63 29.13 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.985 -1.117 . . . . 56.55 107.985 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASP . . . . . 0.417 ' OD2' ' NE2' ' B' ' 68' ' ' GLN . 32.7 t70 -67.52 -30.46 70.13 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.211 -0.996 . . . . 68.01 110.864 -175.325 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -61.76 -43.37 98.99 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.516 -0.874 . . . . 47.68 111.632 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.02 87.58 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.636 -0.826 . . . . 31.14 110.977 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.72 90.22 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.582 -0.447 . . . . 32.49 110.894 179.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLN . . . . . 0.417 ' NE2' ' OD2' ' B' ' 64' ' ' ASP . 95.0 mt-30 -74.35 -25.65 59.65 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 112.471 0.545 . . . . 54.2 112.471 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.9 m -91.06 -12.46 35.63 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.38 0.881 . . . . 43.13 113.38 -178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 tt -54.52 -46.53 99.15 Favored Pre-proline 0 C--O 1.246 0.872 0 CA-C-O 118.131 -0.937 . . . . 44.42 113.323 -175.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.6 -46.67 19.44 Favored 'Trans proline' 0 N--CA 1.48 0.686 0 CA-C-N 121.474 1.562 . . . . 38.81 114.029 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 76.0 p -69.02 -37.45 78.64 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 119.545 -0.862 . . . . 35.89 111.227 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.64 -32.61 74.27 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.66 -0.65 . . . . 38.74 112.047 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 90.8 m -91.43 -9.5 44.42 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 113.74 1.015 . . . . 40.23 113.74 177.066 -66.648 -61.58 -74.035 102.165 2.051 104.651 -56.352 -66.924 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.09 29.3 62.82 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 115.763 1.065 . . . . 53.72 115.763 -175.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 9.3 mt -114.0 147.54 17.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 118.84 1.32 . . . . 58.97 110.407 -177.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 26.5 t -91.45 88.09 6.67 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 104.859 -2.275 . . . . 50.59 104.859 167.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.74 118.95 16.31 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.676 -0.693 . . . . 51.03 111.086 -169.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -80.4 -9.65 59.75 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 118.461 -1.296 . . . . 59.65 112.375 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.29 101.97 12.06 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.678 -1.601 . . . . 43.9 106.678 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -63.85 150.46 88.37 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 CA-C-O 121.879 0.699 . . . . 49.69 111.623 -179.027 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 62.0 mt -88.15 106.51 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.342 -1.725 . . . . 43.97 106.342 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.8 t -151.0 139.88 20.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.165 -0.679 . . . . 39.54 109.165 -175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -74.88 -18.84 60.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.647 -0.706 . . . . 55.67 112.688 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 50.2 p -120.12 -1.97 10.26 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 113.695 0.998 . . . . 51.56 113.695 -167.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 2.1 tt -61.02 136.68 24.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 118.89 0.768 . . . . 49.73 110.56 -173.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -83.77 103.69 13.26 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.321 -0.992 . . . . 50.11 108.321 170.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 86.1 m -69.57 -15.83 63.3 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 112.908 0.707 . . . . 43.44 112.908 -173.582 -67.228 -67.631 -80.318 103.572 2.066 104.978 -80.56 176.098 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -63.04 -28.16 69.9 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.452 -0.899 . . . . 54.03 111.261 174.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 19.3 p -81.06 -5.19 57.34 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 123.207 0.603 . . . . 51.56 112.427 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mm . . . . . 0 C--N 1.331 -0.226 0 C-N-CA 123.555 0.742 . . . . 57.43 109.723 -178.35 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' TRS . . . . . 0.582 ' O2 ' ' O3 ' ' B' ' 103' ' ' TRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.368 0 CA-C-O 120.615 0.245 . . . . 49.62 110.951 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 t -138.57 133.73 42.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.08 0.952 . . . . 51.89 108.733 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.1 p -118.4 160.28 21.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 107.944 -1.132 . . . . 41.73 107.944 169.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.3 m -64.28 -28.26 69.6 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 118.473 -1.291 . . . . 54.21 111.545 -179.578 -71.676 -9.767 -81.011 107.808 2.046 105.219 -64.168 -65.399 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.58 96.86 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 119.871 -1.157 . . . . 35.28 112.415 174.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.24 -44.56 94.87 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 122.297 -0.531 . . . . 61.17 111.46 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.1 t -57.94 -49.06 82.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.566 -0.453 . . . . 32.73 110.889 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -59.04 -45.38 90.9 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.927 0.394 . . . . 42.0 111.155 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.74 -43.49 75.78 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 119.637 -0.825 . . . . 34.33 111.45 -178.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -67.06 -32.76 74.16 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.253 -0.579 . . . . 38.65 112.541 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.28 -12.12 41.55 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.155 -1.018 . . . . 46.39 112.712 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.72 -48.42 83.07 Favored Pre-proline 0 C--O 1.241 0.609 0 N-CA-C 114.311 1.226 . . . . 35.69 114.311 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -65.2 -12.11 33.22 Favored 'Trans proline' 0 N--CA 1.478 0.599 0 CA-C-N 121.676 1.634 . . . . 33.47 114.004 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.7 m -83.63 -9.86 58.61 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 119.399 1.0 . . . . 33.0 113.206 176.632 -59.022 -65.761 98.751 103.199 2.049 104.216 59.093 169.104 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.86 -44.02 98.43 Favored Pre-proline 0 C--O 1.247 0.942 0 CA-C-O 118.533 -0.746 . . . . 41.11 111.932 -173.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.69 -50.01 13.98 Favored 'Trans proline' 0 N--CA 1.475 0.406 0 CA-C-N 121.189 1.461 . . . . 42.61 113.031 175.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -60.18 -41.74 93.54 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.877 -0.729 . . . . 38.11 111.132 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.63 -26.27 63.4 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.27 0.47 . . . . 38.93 112.27 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.1 p -105.94 -16.61 14.59 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 113.55 0.945 . . . . 46.26 113.55 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -126.48 -7.43 6.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.164 0.801 . . . . 71.89 113.164 -176.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.98 -164.58 54.57 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-O 122.661 1.145 . . . . 49.88 111.643 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.94 -129.58 9.94 Favored Glycine 0 CA--C 1.522 0.477 0 CA-C-N 114.268 -0.966 . . . . 45.4 110.717 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -127.23 141.43 40.76 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.092 -0.707 . . . . 52.06 109.092 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.33 136.63 31.95 Favored 'Trans proline' 0 C--O 1.236 0.407 0 N-CA-C 109.874 -0.856 . . . . 35.0 109.874 175.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.09 173.24 55.18 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-O 122.009 0.783 . . . . 35.78 112.675 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.25 86.82 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 119.932 -0.707 . . . . 28.19 111.133 -177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.06 94.57 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.762 -0.586 . . . . 30.01 111.31 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 t -60.97 -48.46 81.71 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.112 0.482 . . . . 29.0 110.767 177.307 169.104 59.093 98.751 104.216 2.049 103.199 -65.761 -59.022 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.04 -34.43 77.69 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 118.938 -1.105 . . . . 31.39 110.639 -177.248 -66.31 -56.707 -74.735 103.483 2.059 102.216 -66.604 -70.833 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.6 t -62.97 -43.3 99.18 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.435 -0.906 . . . . 28.9 110.923 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.09 -40.14 98.54 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 119.528 -1.32 . . . . 29.0 111.864 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.88 -39.86 86.96 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 C-N-CA 119.984 -0.686 . . . . 34.26 110.622 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' HG12 ' A' ' 76' ' ' ILE . 84.1 mttt -64.95 -42.39 94.67 Favored 'General case' 0 C--O 1.247 0.946 0 C-N-CA 119.405 -0.918 . . . . 50.83 111.41 177.613 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 m -56.74 -49.99 73.58 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 120.611 -0.436 . . . . 38.41 111.316 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.0 -47.22 78.15 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.965 -0.694 . . . . 43.16 111.14 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -56.34 -43.69 79.32 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.395 -0.522 . . . . 44.32 111.221 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.81 -27.03 67.78 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.272 -0.966 . . . . 33.89 114.535 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -81.25 -20.87 40.03 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.589 0.959 . . . . 48.82 113.589 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.47 77.07 5.08 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.099 0.952 . . . . 32.78 109.009 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -90.91 -47.71 7.43 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.86 1.059 . . . . 67.67 113.86 -170.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.4 p -84.71 158.98 58.93 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 123.276 0.63 . . . . 36.09 111.767 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.51 -32.99 95.71 Favored 'Trans proline' 0 C--O 1.24 0.616 0 CA-C-N 118.201 0.393 . . . . 39.25 111.901 172.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -67.43 -44.7 78.06 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 119.664 -0.814 . . . . 39.69 111.101 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -53.25 -43.33 67.29 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.669 0.271 . . . . 35.45 111.073 172.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -66.1 -44.34 84.66 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.26 -0.275 . . . . 33.83 111.448 -177.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -64.51 -39.36 93.64 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 118.463 -1.295 . . . . 48.17 111.478 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 m -61.22 -49.87 75.37 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.221 0.534 . . . . 30.41 110.465 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.97 -41.1 77.74 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.319 -0.4 . . . . 25.52 111.75 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.9 t -61.12 -44.08 97.89 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.139 -0.624 . . . . 31.02 110.936 -177.43 174.445 -82.177 -81.046 104.069 2.098 105.817 -71.05 -70.484 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -69.19 -35.57 76.38 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 119.556 -0.858 . . . . 34.43 111.494 -179.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.6 m -64.13 -42.63 96.75 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.69 -0.804 . . . . 34.42 111.25 174.79 -65.399 -64.168 -81.011 105.219 2.046 107.808 -9.767 -71.676 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.43 -39.65 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 O-C-N 122.064 -0.398 . . . . 33.46 110.369 -177.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.45 -47.58 78.84 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 121.834 -0.541 . . . . 35.75 111.148 174.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.67 -47.43 79.82 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.29 -0.564 . . . . 32.06 111.043 175.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.94 96.56 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.494 -0.482 . . . . 34.32 111.457 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.1 81.47 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 122.017 -0.427 . . . . 36.25 111.237 179.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -74.89 -18.24 60.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.182 -1.007 . . . . 39.51 112.015 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -72.89 -40.84 65.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 117.977 0.353 . . . . 47.97 111.845 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -73.7 125.86 90.13 Favored Pre-proline 0 C--N 1.322 -0.615 0 O-C-N 122.194 -0.316 . . . . 43.03 111.202 -165.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HA ' ' O1 ' ' A' ' 102' ' ' SO4 . 46.3 Cg_exo -66.08 129.25 21.36 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 120.306 0.671 . . . . 57.13 111.698 178.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 m120 65.18 37.02 6.79 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.321 -0.854 . . . . 61.66 111.902 173.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.98 136.48 58.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.146 -0.479 . . . . 48.48 110.305 175.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . 0.506 ' HA ' ' H2 ' ' A' ' 101' ' ' GOL . 16.6 mttm -96.35 116.52 29.17 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 109.221 -0.659 . . . . 61.18 109.221 176.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -63.26 -31.95 73.23 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.35 -0.94 . . . . 63.85 110.514 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . 0.52 ' OD2' ' HA ' ' B' ' 86' ' ' ILE . 80.8 m-20 -63.52 -44.75 93.37 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.69 0.281 . . . . 66.84 111.637 177.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.16 99.47 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.034 -0.666 . . . . 42.23 110.336 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.24 -41.11 83.43 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.79 -0.364 . . . . 37.21 110.747 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -73.01 -28.42 62.35 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 119.777 -0.769 . . . . 55.42 111.561 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -92.59 -9.05 42.5 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 113.803 1.038 . . . . 51.53 113.803 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 13.9 tp -53.26 -50.68 81.18 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 114.524 1.305 . . . . 36.95 114.524 -175.206 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 70' ' ' LEU . 63.8 Cg_exo -58.72 -43.86 41.06 Favored 'Trans proline' 0 C--O 1.238 0.515 0 CA-C-N 121.194 1.462 . . . . 39.32 114.493 -176.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.4 p -68.43 -39.1 81.67 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.754 -0.778 . . . . 54.13 111.295 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -60.36 -35.55 75.94 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.694 -0.802 . . . . 46.35 111.096 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.3 m -82.59 -7.12 59.66 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.513 0.931 . . . . 40.79 113.513 177.098 -70.833 -66.604 -74.735 102.216 2.059 103.483 -56.707 -66.31 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.28 28.74 65.47 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 118.632 0.651 . . . . 51.5 113.74 -175.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . 0.44 HG12 ' HG2' ' A' ' 33' ' ' LYS . 6.8 mt -117.41 147.38 20.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-N 117.982 0.891 . . . . 56.12 108.651 -178.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -96.75 86.88 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.163 -1.051 . . . . 60.51 108.163 167.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.36 122.81 22.65 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.72 -0.844 . . . . 38.27 108.72 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -80.59 6.06 13.67 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 113.867 1.062 . . . . 45.73 113.867 -172.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.38 137.52 26.54 Favored Pre-proline 0 C--O 1.239 0.515 0 CA-C-N 119.011 0.823 . . . . 37.54 109.688 176.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PRO . . . . . 0.503 ' HG2' HD13 ' A' ' 86' ' ' ILE . 5.3 Cg_endo -67.02 150.2 82.68 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 120.526 0.818 . . . . 34.78 111.981 175.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.5 mt -105.54 108.92 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.024 -1.102 . . . . 35.3 108.024 171.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.2 t -154.03 143.23 21.34 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 119.397 -0.921 . . . . 34.4 112.189 -173.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -74.66 -20.88 59.7 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.261 0.837 . . . . 68.66 113.261 172.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.4 p -122.2 -4.63 8.94 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 114.555 1.317 . . . . 39.58 114.555 -169.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ILE . . . . . 0.503 HD13 ' HG2' ' A' ' 81' ' ' PRO . 1.6 tt -61.93 139.14 21.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 119.033 0.833 . . . . 37.93 111.315 -172.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -81.79 104.78 12.42 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.247 -1.39 . . . . 36.41 107.247 165.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 87.3 m -66.39 -16.64 64.24 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 119.935 -0.706 . . . . 30.9 112.81 -173.027 -70.484 -71.05 -81.046 105.817 2.098 104.069 -82.177 174.445 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -61.33 -24.04 66.16 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.374 0.988 . . . . 39.46 112.321 174.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.1 p -82.99 -6.78 59.62 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 114.692 1.367 . . . . 37.1 114.692 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.0 pt -88.43 160.5 2.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 119.99 1.268 . . . . 37.85 108.996 -174.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 C--O 1.253 1.247 0 N-CA-C 114.192 1.182 . . . . 43.57 114.192 -174.097 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 111.825 0.306 . . . . 56.09 111.825 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 23.7 p -124.24 161.11 26.47 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 121.223 -0.923 . . . . 41.51 109.754 170.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 66.0 m -65.88 -28.31 68.86 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.347 -0.941 . . . . 43.54 111.941 178.601 -72.716 -10.902 -82.105 108.433 2.048 102.476 -63.285 -66.149 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.19 -42.26 96.48 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 119.541 -1.314 . . . . 42.61 112.464 176.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -64.02 -44.48 92.43 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.08 -0.648 . . . . 72.14 111.344 175.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.24 -46.88 81.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.063 0.458 . . . . 38.03 110.095 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -57.44 -41.91 81.43 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 121.909 -0.495 . . . . 48.55 110.639 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.76 93.35 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.193 -0.458 . . . . 50.16 111.221 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -64.7 -35.54 81.37 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.366 -0.534 . . . . 55.57 110.709 -178.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.54 -14.05 36.0 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 113.947 1.092 . . . . 43.68 113.947 -175.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.35 -49.05 79.21 Favored Pre-proline 0 C--O 1.24 0.596 0 N-CA-C 114.845 1.424 . . . . 43.62 114.845 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -67.06 -10.53 28.9 Favored 'Trans proline' 0 C--O 1.235 0.373 0 CA-C-N 121.687 1.638 . . . . 47.24 113.841 179.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 81.8 m -86.07 -11.21 53.39 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.413 0.894 . . . . 37.98 113.413 177.712 -59.212 -67.692 98.223 104.456 2.072 104.057 60.552 166.734 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -58.71 -42.88 96.69 Favored Pre-proline 0 C--O 1.242 0.678 0 CA-C-O 118.59 -0.719 . . . . 43.13 111.89 -174.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -57.23 -50.3 11.55 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 CA-C-N 121.461 1.557 . . . . 42.77 112.797 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -61.18 -43.01 99.55 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 119.674 -0.81 . . . . 33.88 111.265 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.88 -24.92 64.38 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 119.799 -0.76 . . . . 36.18 112.313 -175.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -103.21 -17.4 15.36 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 114.041 1.126 . . . . 40.47 114.041 -178.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -126.76 -5.98 6.28 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 114.495 1.294 . . . . 63.99 114.495 -174.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.15 -165.75 53.47 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-O 122.653 1.141 . . . . 40.34 112.916 -176.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.05 -126.36 8.82 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.841 -0.903 . . . . 36.24 110.841 -175.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -127.43 147.24 61.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 124.772 1.229 . . . . 37.02 109.148 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.78 -46.2 7.12 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 CA-C-N 118.986 0.674 . . . . 44.48 113.364 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.08 165.18 39.89 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-O 122.409 1.005 . . . . 50.14 111.611 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.24 94.77 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.238 -0.981 . . . . 48.71 112.432 -168.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.17 94.46 Favored 'General case' 0 C--O 1.243 0.722 0 C-N-CA 120.689 -0.404 . . . . 45.49 110.9 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.29 -47.57 85.45 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.632 -0.427 . . . . 42.66 110.619 177.135 166.734 60.552 98.223 104.057 2.072 104.456 -67.692 -59.212 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 88.6 m -66.02 -35.26 80.08 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.306 -0.958 . . . . 39.23 111.481 -177.073 -66.924 -56.352 -74.035 104.651 2.051 102.165 -61.58 -66.648 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -65.51 -44.84 85.73 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.386 -0.925 . . . . 53.52 110.858 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.35 97.58 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.697 -1.239 . . . . 47.54 112.244 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -67.69 -37.1 78.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 119.886 -0.726 . . . . 41.0 110.702 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -65.36 -41.48 93.78 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 118.777 -1.169 . . . . 59.86 110.717 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 23.6 m -58.67 -49.79 76.24 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.071 0.463 . . . . 53.24 111.01 175.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . 0.552 HD21 HD11 ' B' ' 52' ' ' ILE . 14.4 tp -55.37 -48.19 74.65 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.879 0.371 . . . . 47.85 111.099 177.466 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -60.29 -39.75 88.0 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 122.325 -0.234 . . . . 53.02 111.241 -179.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.76 -25.35 75.65 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 120.43 -0.89 . . . . 59.32 112.101 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -81.5 -22.09 38.21 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.597 0.591 . . . . 71.74 112.597 173.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.9 62.28 1.31 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.777 0.798 . . . . 58.13 110.977 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLN . . . . . 0.523 ' O ' ' NH1' ' B' ' 45' ' ' ARG . 10.1 mm100 -100.19 -44.72 5.87 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 113.11 0.782 . . . . 67.57 113.11 -175.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.7 p -76.34 159.12 80.64 Favored Pre-proline 0 N--CA 1.451 -0.389 0 C-N-CA 119.807 -0.757 . . . . 60.39 109.113 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.75 -38.21 93.83 Favored 'Trans proline' 0 C--O 1.241 0.631 0 N-CA-C 113.921 0.7 . . . . 58.23 113.921 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -71.6 -45.1 63.14 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.474 -0.49 . . . . 46.26 111.655 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -54.79 -39.97 68.98 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.835 -0.346 . . . . 62.71 110.814 171.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . 0.532 ' HE ' ' HB3' ' B' ' 79' ' ' ASN . 67.0 mtt85 -64.39 -48.1 76.73 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.321 -0.552 . . . . 65.72 110.679 -178.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -64.97 -41.89 95.06 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 119.758 -0.777 . . . . 65.21 111.428 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 25.1 m -61.84 -52.52 63.83 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 120.66 -0.416 . . . . 35.68 111.204 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -39.55 72.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 120.191 -0.604 . . . . 36.22 110.715 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.23 -45.69 92.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.804 0.335 . . . . 38.6 111.053 -178.366 176.098 -80.56 -80.318 104.978 2.066 103.572 -67.631 -67.228 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -69.05 -33.96 74.41 Favored 'General case' 0 C--O 1.251 1.173 0 C-N-CA 118.57 -1.252 . . . . 31.64 111.276 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 94.8 m -63.04 -42.83 99.83 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 120.142 -0.623 . . . . 34.13 111.335 174.489 -66.149 -63.285 -82.105 102.476 2.048 108.433 -10.902 -72.716 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ILE . . . . . 0.552 HD11 HD21 ' B' ' 35' ' ' LEU . 55.7 mt -66.51 -39.66 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 CA-C-N 116.255 -0.429 . . . . 45.7 110.57 -178.369 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.42 -47.26 82.22 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 120.834 0.35 . . . . 46.75 110.776 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.36 84.0 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.619 -0.832 . . . . 35.45 111.091 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.68 80.7 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 119.706 -0.798 . . . . 38.46 111.093 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.03 76.23 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 121.871 -0.518 . . . . 40.28 110.904 -178.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -73.32 -20.95 60.67 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 118.963 -1.095 . . . . 50.63 111.528 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -73.01 -39.3 66.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.42 -0.175 . . . . 54.4 111.427 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -73.41 125.33 90.79 Favored Pre-proline 0 C--O 1.236 0.367 0 O-C-N 122.28 -0.263 . . . . 52.54 110.621 -168.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -67.7 132.16 26.17 Favored 'Trans proline' 0 C--N 1.331 -0.37 0 C-N-CA 120.732 0.954 . . . . 52.35 111.807 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 64.85 40.92 5.19 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.076 -0.511 . . . . 60.8 111.389 171.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 tp -57.45 132.57 53.52 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.317 -0.553 . . . . 42.54 110.004 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LYS . . . . . 0.667 ' HA ' ' H11' ' B' ' 101' ' ' GOL . 43.0 mmtm -95.63 116.63 29.13 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.985 -1.117 . . . . 56.55 107.985 -179.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASP . . . . . 0.417 ' OD2' ' NE2' ' B' ' 68' ' ' GLN . 32.7 t70 -67.52 -30.46 70.13 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.211 -0.996 . . . . 68.01 110.864 -175.325 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ASP . . . . . 0.416 ' OD1' ' HA ' ' A' ' 86' ' ' ILE . 78.5 m-20 -61.76 -43.37 98.99 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.516 -0.874 . . . . 47.68 111.632 175.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.02 87.58 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.636 -0.826 . . . . 31.14 110.977 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.72 90.22 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.582 -0.447 . . . . 32.49 110.894 179.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLN . . . . . 0.417 ' NE2' ' OD2' ' B' ' 64' ' ' ASP . 95.0 mt-30 -74.35 -25.65 59.65 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 112.471 0.545 . . . . 54.2 112.471 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.9 m -91.06 -12.46 35.63 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.38 0.881 . . . . 43.13 113.38 -178.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 tt -54.52 -46.53 99.15 Favored Pre-proline 0 C--O 1.246 0.872 0 CA-C-O 118.131 -0.937 . . . . 44.42 113.323 -175.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.6 -46.67 19.44 Favored 'Trans proline' 0 N--CA 1.48 0.686 0 CA-C-N 121.474 1.562 . . . . 38.81 114.029 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 76.0 p -69.02 -37.45 78.64 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 119.545 -0.862 . . . . 35.89 111.227 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.64 -32.61 74.27 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.66 -0.65 . . . . 38.74 112.047 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 90.8 m -91.43 -9.5 44.42 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 113.74 1.015 . . . . 40.23 113.74 177.066 -66.648 -61.58 -74.035 102.165 2.051 104.651 -56.352 -66.924 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.09 29.3 62.82 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 115.763 1.065 . . . . 53.72 115.763 -175.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 9.3 mt -114.0 147.54 17.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 118.84 1.32 . . . . 58.97 110.407 -177.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 26.5 t -91.45 88.09 6.67 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 104.859 -2.275 . . . . 50.59 104.859 167.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.74 118.95 16.31 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.676 -0.693 . . . . 51.03 111.086 -169.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASN . . . . . 0.532 ' HB3' ' HE ' ' B' ' 45' ' ' ARG . 83.3 m-20 -80.4 -9.65 59.75 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 118.461 -1.296 . . . . 59.65 112.375 -177.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.29 101.97 12.06 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.678 -1.601 . . . . 43.9 106.678 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -63.85 150.46 88.37 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 CA-C-O 121.879 0.699 . . . . 49.69 111.623 -179.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 62.0 mt -88.15 106.51 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.342 -1.725 . . . . 43.97 106.342 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.8 t -151.0 139.88 20.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.165 -0.679 . . . . 39.54 109.165 -175.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -74.88 -18.84 60.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.647 -0.706 . . . . 55.67 112.688 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 50.2 p -120.12 -1.97 10.26 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 113.695 0.998 . . . . 51.56 113.695 -167.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ILE . . . . . 0.52 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 2.1 tt -61.02 136.68 24.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 118.89 0.768 . . . . 49.73 110.56 -173.024 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ASN . . . . . 0.419 ' HB2' ' H12' ' B' ' 102' ' ' GOL . 60.2 t-20 -83.77 103.69 13.26 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.321 -0.992 . . . . 50.11 108.321 170.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 86.1 m -69.57 -15.83 63.3 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 112.908 0.707 . . . . 43.44 112.908 -173.582 -67.228 -67.631 -80.318 103.572 2.066 104.978 -80.56 176.098 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -63.04 -28.16 69.9 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.452 -0.899 . . . . 54.03 111.261 174.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 19.3 p -81.06 -5.19 57.34 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 123.207 0.603 . . . . 51.56 112.427 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mm . . . . . 0 C--N 1.331 -0.226 0 C-N-CA 123.555 0.742 . . . . 57.43 109.723 -178.35 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GOL . . . . . 0.506 ' H2 ' ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SO4 . . . . . 0.402 ' O1 ' ' HA ' ' A' ' 60' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GOL . . . . . 0.667 ' H11' ' HA ' ' B' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GOL . . . . . 0.419 ' H12' ' HB2' ' B' ' 87' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' TRS . . . . . 0.513 ' O3 ' ' O2 ' ' B' ' 103' ' ' TRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.368 0 CA-C-O 120.615 0.245 . . . . 49.62 110.951 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 t -138.57 133.73 42.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.08 0.952 . . . . 51.89 108.733 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.1 p -118.4 160.28 21.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 107.944 -1.132 . . . . 41.73 107.944 169.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.3 m -64.28 -28.26 69.6 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 118.473 -1.291 . . . . 54.21 111.545 -179.578 -71.676 -9.767 -81.011 107.808 2.046 105.219 -64.168 -65.399 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.58 96.86 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 119.871 -1.157 . . . . 35.28 112.415 174.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.24 -44.56 94.87 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 122.297 -0.531 . . . . 61.17 111.46 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.1 t -57.94 -49.06 82.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.566 -0.453 . . . . 32.73 110.889 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -59.04 -45.38 90.9 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.927 0.394 . . . . 42.0 111.155 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.74 -43.49 75.78 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 119.637 -0.825 . . . . 34.33 111.45 -178.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -67.06 -32.76 74.16 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.253 -0.579 . . . . 38.65 112.541 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.28 -12.12 41.55 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.155 -1.018 . . . . 46.39 112.712 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.72 -48.42 83.07 Favored Pre-proline 0 C--O 1.241 0.609 0 N-CA-C 114.311 1.226 . . . . 35.69 114.311 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -65.2 -12.11 33.22 Favored 'Trans proline' 0 N--CA 1.478 0.599 0 CA-C-N 121.676 1.634 . . . . 33.47 114.004 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.7 m -83.63 -9.86 58.61 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 119.399 1.0 . . . . 33.0 113.206 176.632 -59.022 -65.761 98.751 103.199 2.049 104.216 59.093 169.104 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.86 -44.02 98.43 Favored Pre-proline 0 C--O 1.247 0.942 0 CA-C-O 118.533 -0.746 . . . . 41.11 111.932 -173.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.69 -50.01 13.98 Favored 'Trans proline' 0 N--CA 1.475 0.406 0 CA-C-N 121.189 1.461 . . . . 42.61 113.031 175.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -60.18 -41.74 93.54 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.877 -0.729 . . . . 38.11 111.132 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.63 -26.27 63.4 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.27 0.47 . . . . 38.93 112.27 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.1 p -105.94 -16.61 14.59 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 113.55 0.945 . . . . 46.26 113.55 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -126.48 -7.43 6.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.164 0.801 . . . . 71.89 113.164 -176.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.98 -164.58 54.57 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-O 122.661 1.145 . . . . 49.88 111.643 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.94 -129.58 9.94 Favored Glycine 0 CA--C 1.522 0.477 0 CA-C-N 114.268 -0.966 . . . . 45.4 110.717 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -127.23 141.43 40.76 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.092 -0.707 . . . . 52.06 109.092 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.33 136.63 31.95 Favored 'Trans proline' 0 C--O 1.236 0.407 0 N-CA-C 109.874 -0.856 . . . . 35.0 109.874 175.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.09 173.24 55.18 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-O 122.009 0.783 . . . . 35.78 112.675 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.25 86.82 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 119.932 -0.707 . . . . 28.19 111.133 -177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.06 94.57 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.762 -0.586 . . . . 30.01 111.31 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 t -60.97 -48.46 81.71 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.112 0.482 . . . . 29.0 110.767 177.307 169.104 59.093 98.751 104.216 2.049 103.199 -65.761 -59.022 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.04 -34.43 77.69 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 118.938 -1.105 . . . . 31.39 110.639 -177.248 -66.31 -56.707 -74.735 103.483 2.059 102.216 -66.604 -70.833 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.6 t -62.97 -43.3 99.18 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.435 -0.906 . . . . 28.9 110.923 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.09 -40.14 98.54 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 119.528 -1.32 . . . . 29.0 111.864 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.88 -39.86 86.96 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 C-N-CA 119.984 -0.686 . . . . 34.26 110.622 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' HG12 ' A' ' 76' ' ' ILE . 84.1 mttt -64.95 -42.39 94.67 Favored 'General case' 0 C--O 1.247 0.946 0 C-N-CA 119.405 -0.918 . . . . 50.83 111.41 177.613 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 m -56.74 -49.99 73.58 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 120.611 -0.436 . . . . 38.41 111.316 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.0 -47.22 78.15 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.965 -0.694 . . . . 43.16 111.14 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -56.34 -43.69 79.32 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.395 -0.522 . . . . 44.32 111.221 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.81 -27.03 67.78 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.272 -0.966 . . . . 33.89 114.535 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -81.25 -20.87 40.03 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.589 0.959 . . . . 48.82 113.589 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.47 77.07 5.08 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.099 0.952 . . . . 32.78 109.009 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -90.91 -47.71 7.43 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.86 1.059 . . . . 67.67 113.86 -170.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.4 p -84.71 158.98 58.93 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 123.276 0.63 . . . . 36.09 111.767 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.51 -32.99 95.71 Favored 'Trans proline' 0 C--O 1.24 0.616 0 CA-C-N 118.201 0.393 . . . . 39.25 111.901 172.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -67.43 -44.7 78.06 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 119.664 -0.814 . . . . 39.69 111.101 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -53.25 -43.33 67.29 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.669 0.271 . . . . 35.45 111.073 172.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -66.1 -44.34 84.66 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.26 -0.275 . . . . 33.83 111.448 -177.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -64.51 -39.36 93.64 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 118.463 -1.295 . . . . 48.17 111.478 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 m -61.22 -49.87 75.37 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.221 0.534 . . . . 30.41 110.465 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.97 -41.1 77.74 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.319 -0.4 . . . . 25.52 111.75 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.9 t -61.12 -44.08 97.89 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.139 -0.624 . . . . 31.02 110.936 -177.43 174.445 -82.177 -81.046 104.069 2.098 105.817 -71.05 -70.484 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -69.19 -35.57 76.38 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 119.556 -0.858 . . . . 34.43 111.494 -179.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.6 m -64.13 -42.63 96.75 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.69 -0.804 . . . . 34.42 111.25 174.79 -65.399 -64.168 -81.011 105.219 2.046 107.808 -9.767 -71.676 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.43 -39.65 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 O-C-N 122.064 -0.398 . . . . 33.46 110.369 -177.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.45 -47.58 78.84 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 121.834 -0.541 . . . . 35.75 111.148 174.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.67 -47.43 79.82 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.29 -0.564 . . . . 32.06 111.043 175.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.94 96.56 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.494 -0.482 . . . . 34.32 111.457 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.1 81.47 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 122.017 -0.427 . . . . 36.25 111.237 179.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -74.89 -18.24 60.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.182 -1.007 . . . . 39.51 112.015 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -72.89 -40.84 65.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 117.977 0.353 . . . . 47.97 111.845 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -73.7 125.86 90.13 Favored Pre-proline 0 C--N 1.322 -0.615 0 O-C-N 122.194 -0.316 . . . . 43.03 111.202 -165.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HA ' ' O1 ' ' A' ' 102' ' ' SO4 . 46.3 Cg_exo -66.08 129.25 21.36 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 120.306 0.671 . . . . 57.13 111.698 178.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 m120 65.18 37.02 6.79 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.321 -0.854 . . . . 61.66 111.902 173.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.98 136.48 58.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.146 -0.479 . . . . 48.48 110.305 175.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.506 ' HA ' ' H2 ' ' A' ' 101' ' ' GOL . 16.6 mttm -96.35 116.52 29.17 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 109.221 -0.659 . . . . 61.18 109.221 176.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -63.26 -31.95 73.23 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.35 -0.94 . . . . 63.85 110.514 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.52 ' OD2' ' HA ' ' B' ' 86' ' ' ILE . 80.8 m-20 -63.52 -44.75 93.37 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.69 0.281 . . . . 66.84 111.637 177.536 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.16 99.47 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.034 -0.666 . . . . 42.23 110.336 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.24 -41.11 83.43 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.79 -0.364 . . . . 37.21 110.747 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -73.01 -28.42 62.35 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 119.777 -0.769 . . . . 55.42 111.561 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -92.59 -9.05 42.5 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 113.803 1.038 . . . . 51.53 113.803 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 13.9 tp -53.26 -50.68 81.18 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 114.524 1.305 . . . . 36.95 114.524 -175.206 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 70' ' ' LEU . 63.8 Cg_exo -58.72 -43.86 41.06 Favored 'Trans proline' 0 C--O 1.238 0.515 0 CA-C-N 121.194 1.462 . . . . 39.32 114.493 -176.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.4 p -68.43 -39.1 81.67 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.754 -0.778 . . . . 54.13 111.295 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -60.36 -35.55 75.94 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.694 -0.802 . . . . 46.35 111.096 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.3 m -82.59 -7.12 59.66 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.513 0.931 . . . . 40.79 113.513 177.098 -70.833 -66.604 -74.735 102.216 2.059 103.483 -56.707 -66.31 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.28 28.74 65.47 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 118.632 0.651 . . . . 51.5 113.74 -175.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.44 HG12 ' HG2' ' A' ' 33' ' ' LYS . 6.8 mt -117.41 147.38 20.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-N 117.982 0.891 . . . . 56.12 108.651 -178.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -96.75 86.88 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.163 -1.051 . . . . 60.51 108.163 167.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.36 122.81 22.65 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.72 -0.844 . . . . 38.27 108.72 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -80.59 6.06 13.67 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 113.867 1.062 . . . . 45.73 113.867 -172.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.38 137.52 26.54 Favored Pre-proline 0 C--O 1.239 0.515 0 CA-C-N 119.011 0.823 . . . . 37.54 109.688 176.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.503 ' HG2' HD13 ' A' ' 86' ' ' ILE . 5.3 Cg_endo -67.02 150.2 82.68 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 120.526 0.818 . . . . 34.78 111.981 175.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.5 mt -105.54 108.92 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.024 -1.102 . . . . 35.3 108.024 171.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.2 t -154.03 143.23 21.34 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 119.397 -0.921 . . . . 34.4 112.189 -173.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -74.66 -20.88 59.7 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.261 0.837 . . . . 68.66 113.261 172.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.4 p -122.2 -4.63 8.94 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 114.555 1.317 . . . . 39.58 114.555 -169.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.503 HD13 ' HG2' ' A' ' 81' ' ' PRO . 1.6 tt -61.93 139.14 21.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 119.033 0.833 . . . . 37.93 111.315 -172.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -81.79 104.78 12.42 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.247 -1.39 . . . . 36.41 107.247 165.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 87.3 m -66.39 -16.64 64.24 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 119.935 -0.706 . . . . 30.9 112.81 -173.027 -70.484 -71.05 -81.046 105.817 2.098 104.069 -82.177 174.445 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -61.33 -24.04 66.16 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.374 0.988 . . . . 39.46 112.321 174.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.1 p -82.99 -6.78 59.62 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 114.692 1.367 . . . . 37.1 114.692 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.0 pt -88.43 160.5 2.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 119.99 1.268 . . . . 37.85 108.996 -174.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 C--O 1.253 1.247 0 N-CA-C 114.192 1.182 . . . . 43.57 114.192 -174.097 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 111.825 0.306 . . . . 56.09 111.825 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 23.7 p -124.24 161.11 26.47 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 121.223 -0.923 . . . . 41.51 109.754 170.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 66.0 m -65.88 -28.31 68.86 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.347 -0.941 . . . . 43.54 111.941 178.601 -72.716 -10.902 -82.105 108.433 2.048 102.476 -63.285 -66.149 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.19 -42.26 96.48 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 119.541 -1.314 . . . . 42.61 112.464 176.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -64.02 -44.48 92.43 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.08 -0.648 . . . . 72.14 111.344 175.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.24 -46.88 81.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.063 0.458 . . . . 38.03 110.095 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -57.44 -41.91 81.43 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 121.909 -0.495 . . . . 48.55 110.639 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.76 93.35 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.193 -0.458 . . . . 50.16 111.221 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -64.7 -35.54 81.37 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.366 -0.534 . . . . 55.57 110.709 -178.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.54 -14.05 36.0 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 113.947 1.092 . . . . 43.68 113.947 -175.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.35 -49.05 79.21 Favored Pre-proline 0 C--O 1.24 0.596 0 N-CA-C 114.845 1.424 . . . . 43.62 114.845 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -67.06 -10.53 28.9 Favored 'Trans proline' 0 C--O 1.235 0.373 0 CA-C-N 121.687 1.638 . . . . 47.24 113.841 179.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 81.8 m -86.07 -11.21 53.39 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.413 0.894 . . . . 37.98 113.413 177.712 -59.212 -67.692 98.223 104.456 2.072 104.057 60.552 166.734 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -58.71 -42.88 96.69 Favored Pre-proline 0 C--O 1.242 0.678 0 CA-C-O 118.59 -0.719 . . . . 43.13 111.89 -174.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -57.23 -50.3 11.55 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 CA-C-N 121.461 1.557 . . . . 42.77 112.797 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -61.18 -43.01 99.55 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 119.674 -0.81 . . . . 33.88 111.265 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.88 -24.92 64.38 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 119.799 -0.76 . . . . 36.18 112.313 -175.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -103.21 -17.4 15.36 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 114.041 1.126 . . . . 40.47 114.041 -178.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -126.76 -5.98 6.28 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 114.495 1.294 . . . . 63.99 114.495 -174.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.15 -165.75 53.47 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-O 122.653 1.141 . . . . 40.34 112.916 -176.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.05 -126.36 8.82 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.841 -0.903 . . . . 36.24 110.841 -175.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -127.43 147.24 61.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 124.772 1.229 . . . . 37.02 109.148 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.78 -46.2 7.12 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 CA-C-N 118.986 0.674 . . . . 44.48 113.364 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.08 165.18 39.89 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-O 122.409 1.005 . . . . 50.14 111.611 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.24 94.77 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.238 -0.981 . . . . 48.71 112.432 -168.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.17 94.46 Favored 'General case' 0 C--O 1.243 0.722 0 C-N-CA 120.689 -0.404 . . . . 45.49 110.9 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.29 -47.57 85.45 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.632 -0.427 . . . . 42.66 110.619 177.135 166.734 60.552 98.223 104.057 2.072 104.456 -67.692 -59.212 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 88.6 m -66.02 -35.26 80.08 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.306 -0.958 . . . . 39.23 111.481 -177.073 -66.924 -56.352 -74.035 104.651 2.051 102.165 -61.58 -66.648 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -65.51 -44.84 85.73 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.386 -0.925 . . . . 53.52 110.858 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.35 97.58 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.697 -1.239 . . . . 47.54 112.244 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -67.69 -37.1 78.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 119.886 -0.726 . . . . 41.0 110.702 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -65.36 -41.48 93.78 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 118.777 -1.169 . . . . 59.86 110.717 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 23.6 m -58.67 -49.79 76.24 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 121.071 0.463 . . . . 53.24 111.01 175.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.552 HD21 HD11 ' B' ' 52' ' ' ILE . 14.4 tp -55.37 -48.19 74.65 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.879 0.371 . . . . 47.85 111.099 177.466 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -60.29 -39.75 88.0 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 122.325 -0.234 . . . . 53.02 111.241 -179.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.76 -25.35 75.65 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 120.43 -0.89 . . . . 59.32 112.101 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -81.5 -22.09 38.21 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.597 0.591 . . . . 71.74 112.597 173.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.9 62.28 1.31 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.777 0.798 . . . . 58.13 110.977 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.523 ' O ' ' NH1' ' B' ' 45' ' ' ARG . 10.1 mm100 -100.19 -44.72 5.87 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 113.11 0.782 . . . . 67.57 113.11 -175.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.7 p -76.34 159.12 80.64 Favored Pre-proline 0 N--CA 1.451 -0.389 0 C-N-CA 119.807 -0.757 . . . . 60.39 109.113 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.75 -38.21 93.83 Favored 'Trans proline' 0 C--O 1.241 0.631 0 N-CA-C 113.921 0.7 . . . . 58.23 113.921 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -71.6 -45.1 63.14 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.474 -0.49 . . . . 46.26 111.655 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -54.79 -39.97 68.98 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.835 -0.346 . . . . 62.71 110.814 171.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.532 ' HE ' ' HB3' ' B' ' 79' ' ' ASN . 67.0 mtt85 -64.39 -48.1 76.73 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.321 -0.552 . . . . 65.72 110.679 -178.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -64.97 -41.89 95.06 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 119.758 -0.777 . . . . 65.21 111.428 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 25.1 m -61.84 -52.52 63.83 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 120.66 -0.416 . . . . 35.68 111.204 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -39.55 72.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 120.191 -0.604 . . . . 36.22 110.715 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.23 -45.69 92.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.804 0.335 . . . . 38.6 111.053 -178.366 176.098 -80.56 -80.318 104.978 2.066 103.572 -67.631 -67.228 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -69.05 -33.96 74.41 Favored 'General case' 0 C--O 1.251 1.173 0 C-N-CA 118.57 -1.252 . . . . 31.64 111.276 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 94.8 m -63.04 -42.83 99.83 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 120.142 -0.623 . . . . 34.13 111.335 174.489 -66.149 -63.285 -82.105 102.476 2.048 108.433 -10.902 -72.716 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.552 HD11 HD21 ' B' ' 35' ' ' LEU . 55.7 mt -66.51 -39.66 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 CA-C-N 116.255 -0.429 . . . . 45.7 110.57 -178.369 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.42 -47.26 82.22 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 120.834 0.35 . . . . 46.75 110.776 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.36 84.0 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.619 -0.832 . . . . 35.45 111.091 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.68 80.7 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 119.706 -0.798 . . . . 38.46 111.093 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.03 76.23 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 121.871 -0.518 . . . . 40.28 110.904 -178.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -73.32 -20.95 60.67 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 118.963 -1.095 . . . . 50.63 111.528 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -73.01 -39.3 66.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.42 -0.175 . . . . 54.4 111.427 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -73.41 125.33 90.79 Favored Pre-proline 0 C--O 1.236 0.367 0 O-C-N 122.28 -0.263 . . . . 52.54 110.621 -168.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -67.7 132.16 26.17 Favored 'Trans proline' 0 C--N 1.331 -0.37 0 C-N-CA 120.732 0.954 . . . . 52.35 111.807 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 64.85 40.92 5.19 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.076 -0.511 . . . . 60.8 111.389 171.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 tp -57.45 132.57 53.52 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.317 -0.553 . . . . 42.54 110.004 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.667 ' HA ' ' H11' ' B' ' 101' ' ' GOL . 43.0 mmtm -95.63 116.63 29.13 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.985 -1.117 . . . . 56.55 107.985 -179.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.417 ' OD2' ' NE2' ' B' ' 68' ' ' GLN . 32.7 t70 -67.52 -30.46 70.13 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.211 -0.996 . . . . 68.01 110.864 -175.325 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.416 ' OD1' ' HA ' ' A' ' 86' ' ' ILE . 78.5 m-20 -61.76 -43.37 98.99 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.516 -0.874 . . . . 47.68 111.632 175.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.02 87.58 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.636 -0.826 . . . . 31.14 110.977 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.72 90.22 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.582 -0.447 . . . . 32.49 110.894 179.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.417 ' NE2' ' OD2' ' B' ' 64' ' ' ASP . 95.0 mt-30 -74.35 -25.65 59.65 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 112.471 0.545 . . . . 54.2 112.471 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.9 m -91.06 -12.46 35.63 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.38 0.881 . . . . 43.13 113.38 -178.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 tt -54.52 -46.53 99.15 Favored Pre-proline 0 C--O 1.246 0.872 0 CA-C-O 118.131 -0.937 . . . . 44.42 113.323 -175.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.6 -46.67 19.44 Favored 'Trans proline' 0 N--CA 1.48 0.686 0 CA-C-N 121.474 1.562 . . . . 38.81 114.029 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 76.0 p -69.02 -37.45 78.64 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 119.545 -0.862 . . . . 35.89 111.227 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.64 -32.61 74.27 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.66 -0.65 . . . . 38.74 112.047 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 90.8 m -91.43 -9.5 44.42 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 113.74 1.015 . . . . 40.23 113.74 177.066 -66.648 -61.58 -74.035 102.165 2.051 104.651 -56.352 -66.924 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.09 29.3 62.82 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 115.763 1.065 . . . . 53.72 115.763 -175.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 9.3 mt -114.0 147.54 17.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 118.84 1.32 . . . . 58.97 110.407 -177.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 26.5 t -91.45 88.09 6.67 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 104.859 -2.275 . . . . 50.59 104.859 167.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.74 118.95 16.31 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.676 -0.693 . . . . 51.03 111.086 -169.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASN . . . . . 0.532 ' HB3' ' HE ' ' B' ' 45' ' ' ARG . 83.3 m-20 -80.4 -9.65 59.75 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 118.461 -1.296 . . . . 59.65 112.375 -177.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.29 101.97 12.06 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.678 -1.601 . . . . 43.9 106.678 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -63.85 150.46 88.37 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 CA-C-O 121.879 0.699 . . . . 49.69 111.623 -179.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 62.0 mt -88.15 106.51 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.342 -1.725 . . . . 43.97 106.342 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.8 t -151.0 139.88 20.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.165 -0.679 . . . . 39.54 109.165 -175.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -74.88 -18.84 60.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.647 -0.706 . . . . 55.67 112.688 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 50.2 p -120.12 -1.97 10.26 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 113.695 0.998 . . . . 51.56 113.695 -167.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.52 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 2.1 tt -61.02 136.68 24.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 118.89 0.768 . . . . 49.73 110.56 -173.024 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.419 ' HB2' ' H12' ' B' ' 102' ' ' GOL . 60.2 t-20 -83.77 103.69 13.26 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.321 -0.992 . . . . 50.11 108.321 170.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 86.1 m -69.57 -15.83 63.3 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 112.908 0.707 . . . . 43.44 112.908 -173.582 -67.228 -67.631 -80.318 103.572 2.066 104.978 -80.56 176.098 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -63.04 -28.16 69.9 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.452 -0.899 . . . . 54.03 111.261 174.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 19.3 p -81.06 -5.19 57.34 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 123.207 0.603 . . . . 51.56 112.427 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mm . . . . . 0 C--N 1.331 -0.226 0 C-N-CA 123.555 0.742 . . . . 57.43 109.723 -178.35 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GOL . . . . . 0.506 ' H2 ' ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SO4 . . . . . 0.402 ' O1 ' ' HA ' ' A' ' 60' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GOL . . . . . 0.667 ' H11' ' HA ' ' B' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GOL . . . . . 0.419 ' H12' ' HB2' ' B' ' 87' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' TRS . . . . . 0.513 ' O3 ' ' O2 ' ' B' ' 103' ' ' TRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_