data_6mjh_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 6mjh _Structure_validation_residue.Date_analyzed 2019-06-21 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 ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 44.39 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 p -85.69 163.16 18.42 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.88 0.872 . . . . 39.74 111.139 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 m -99.4 153.5 18.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.381 -0.6 . . . . 35.53 109.381 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -79.2 120.09 79.41 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 117.016 -1.874 . . . . 27.97 109.196 178.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.42 -31.22 81.0 Favored 'Trans proline' 0 C--O 1.237 0.473 0 O-C-N 124.158 1.609 . . . . 31.83 113.276 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.49 -30.73 71.53 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.946 -0.702 . . . . 28.97 111.575 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.9 t -76.3 -38.18 32.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.642 -0.423 . . . . 26.49 110.613 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.61 -47.44 82.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.189 0.519 . . . . 23.21 110.335 174.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.98 94.89 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.522 -0.471 . . . . 21.94 111.294 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.69 79.46 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.569 -0.452 . . . . 21.04 111.192 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -65.63 -40.63 92.77 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.269 -0.572 . . . . 35.94 111.242 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.17 -42.16 93.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 120.433 -0.507 . . . . 27.33 110.574 -178.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.4 mm -65.66 -50.56 70.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.407 -0.517 . . . . 26.34 110.489 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.14 -40.72 99.32 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.085 -1.055 . . . . 19.04 113.032 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.42 -46.23 87.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 O-C-N 122.184 -0.598 . . . . 28.66 110.603 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.84 -44.34 94.14 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.289 -0.564 . . . . 28.25 110.769 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -62.98 -44.31 96.4 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.124 0.488 . . . . 20.98 110.975 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.0 tp -62.46 -44.61 95.98 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.187 -0.605 . . . . 20.64 111.027 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.52 -50.03 80.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.138 0.494 . . . . 27.66 110.498 -178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -56.67 -42.72 79.51 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.331 -0.547 . . . . 24.52 111.153 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -64.86 -44.03 91.05 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.427 -0.509 . . . . 22.84 111.323 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.27 -51.1 76.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.217 0.532 . . . . 26.24 110.299 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.65 -33.96 73.58 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.116 -0.634 . . . . 31.53 111.635 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 44.4 t0 -65.68 -38.61 89.77 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.206 -0.598 . . . . 31.97 111.191 176.349 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -76.79 -28.43 55.64 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.268 0.469 . . . . 40.24 112.268 178.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.3 mt -88.27 143.93 26.73 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.236 0.471 . . . . 39.35 112.105 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 35.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 54.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 12.4 p -86.92 166.21 15.3 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 123.188 0.595 . . . . 45.68 111.476 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -103.27 149.48 24.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 40.55 109.961 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASP . . . . . 0.659 ' OD2' ' O ' ' B' ' 201' ' ' HOH . 53.7 t0 -67.81 117.6 49.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.615 -0.72 . . . . 30.16 109.766 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.6 -29.4 88.42 Favored 'Trans proline' 0 C--O 1.238 0.485 0 CA-C-N 119.302 0.786 . . . . 33.03 113.308 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mp -69.36 -34.31 74.38 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.247 -0.581 . . . . 31.26 111.951 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.36 -32.25 41.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.121 -0.632 . . . . 25.62 110.456 175.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.02 -42.4 95.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 O-C-N 121.806 -0.559 . . . . 25.86 110.303 174.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.4 81.07 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.897 -0.502 . . . . 25.28 111.194 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.3 94.17 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.519 -0.473 . . . . 31.95 110.969 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASN . . . . . 0.483 ' O ' ' CG2' ' B' ' 35' ' ' ILE . 48.6 m-80 -63.44 -44.74 93.65 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.234 -0.587 . . . . 28.4 111.101 177.906 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.0 mt -59.73 -46.96 92.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.193 0.52 . . . . 28.98 110.369 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 26.1 mm -62.5 -49.86 82.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.06 0.457 . . . . 28.73 110.426 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -47.75 89.39 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.003 -1.094 . . . . 21.09 112.722 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' B' ' 31' ' ' ASN . 4.4 tt -70.84 -34.28 55.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 118.045 -1.462 . . . . 45.82 110.715 -176.531 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -60.98 -46.53 90.39 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 120.362 -1.461 . . . . 29.3 110.798 173.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -61.5 -46.03 91.7 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.58 -0.448 . . . . 24.34 111.006 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 38.2 tp -61.61 -42.7 99.24 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.268 -0.573 . . . . 22.28 111.246 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.69 -47.9 84.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.492 -0.483 . . . . 26.51 110.513 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.31 -35.54 77.66 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.23 -0.588 . . . . 22.67 111.238 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -71.56 -44.89 63.73 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.187 -0.605 . . . . 24.3 111.191 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.28 -51.3 71.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.265 0.555 . . . . 22.99 110.237 176.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -57.49 -43.02 83.79 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.984 -0.448 . . . . 29.4 111.177 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASP . . . . . 0.423 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 51.8 t0 -58.74 -45.78 88.91 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.51 -0.476 . . . . 30.16 111.04 178.453 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . 0.449 ' NE ' ' OD2' ' A' ' 44' ' ' ASP . 9.6 mmm180 -67.69 -42.24 82.38 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.713 -0.395 . . . . 34.39 111.571 -176.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.61 15.04 0.88 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.427 0.528 . . . . 40.61 112.427 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.68 -0.236 . . . . 43.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 51.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -89.15 179.83 6.05 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.594 -0.691 . . . . 52.84 111.33 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -118.54 144.09 46.31 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.351 -0.611 . . . . 51.01 109.351 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -69.62 119.13 68.99 Favored Pre-proline 0 C--O 1.238 0.492 0 CA-C-N 115.961 -0.563 . . . . 29.47 109.75 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.28 -25.03 64.63 Favored 'Trans proline' 0 C--O 1.237 0.461 0 CA-C-N 119.283 0.78 . . . . 34.98 113.457 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 72.9 mt -73.74 -31.61 63.43 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.659 -0.816 . . . . 30.55 111.819 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 62.6 t -72.71 -37.09 54.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 120.202 -0.599 . . . . 25.41 110.407 176.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.7 -44.26 98.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 121.848 -0.532 . . . . 28.06 110.345 173.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.8 92.7 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.383 -0.527 . . . . 25.51 111.017 175.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.01 75.38 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.515 -0.474 . . . . 25.3 110.966 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -59.48 -47.5 85.24 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.682 -0.407 . . . . 31.21 111.097 178.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.92 -46.33 91.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.161 0.505 . . . . 22.99 110.437 -176.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 51.4 mm -62.81 -47.02 94.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 CA-C-O 121.219 0.533 . . . . 31.56 110.326 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.18 -41.49 98.34 Favored Glycine 0 C--N 1.335 0.488 0 C-N-CA 120.154 -1.022 . . . . 20.7 113.038 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 43.5 mt -65.87 -43.63 93.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 O-C-N 122.265 -0.55 . . . . 26.97 110.565 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 67.2 tp -62.52 -47.0 85.85 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.431 -0.508 . . . . 27.59 110.957 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -57.76 -47.85 81.33 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.593 -0.443 . . . . 20.86 111.019 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.52 -44.09 97.69 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.255 -0.578 . . . . 20.56 111.239 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.85 -50.22 80.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.182 0.515 . . . . 26.56 110.399 -179.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.35 -35.21 76.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.273 -0.571 . . . . 24.11 111.247 -178.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -70.66 -43.33 69.38 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.164 -0.614 . . . . 25.21 111.375 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.89 -48.34 89.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.213 0.53 . . . . 25.22 110.261 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.45 -37.0 84.19 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.85 -0.74 . . . . 24.61 111.194 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ASP . . . . . 0.444 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 51.5 t0 -59.18 -46.94 87.09 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.662 -0.415 . . . . 31.27 110.935 176.175 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' ARG . . . . . 0.423 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 9.7 mmm180 -70.22 -34.2 72.61 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.402 -0.519 . . . . 38.69 112.033 -179.278 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -103.74 87.78 2.9 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.648 0.261 . . . . 37.43 110.455 177.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 40.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 66.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -166.41 101.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.343 -0.614 . . . . 52.07 109.343 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -67.54 156.39 36.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.671 0.748 . . . . 36.92 111.32 -168.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -84.42 121.75 75.15 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.14 -0.937 . . . . 28.53 109.416 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.25 -29.54 80.34 Favored 'Trans proline' 0 C--O 1.237 0.453 0 CA-C-N 119.248 0.767 . . . . 34.16 113.109 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.52 -45.36 91.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.82 0.282 . . . . 31.51 111.471 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.16 -37.04 70.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 114.623 -1.171 . . . . 23.08 110.407 -179.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -61.66 -43.77 97.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.202 -0.599 . . . . 25.69 110.328 174.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.17 84.87 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.436 -0.505 . . . . 25.64 111.171 177.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.28 99.68 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.449 -0.5 . . . . 29.35 111.211 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -64.14 -39.28 93.69 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.167 -0.613 . . . . 33.3 111.155 178.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -65.57 -43.9 94.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.582 -0.447 . . . . 25.05 110.501 -178.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.73 -52.18 60.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.189 0.519 . . . . 27.23 110.294 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.13 -41.48 98.15 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.096 -1.05 . . . . 18.98 112.974 -177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 47.5 mt -70.43 -43.75 77.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 O-C-N 122.159 -0.612 . . . . 28.87 110.718 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.27 -45.09 92.14 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.133 -0.627 . . . . 29.79 110.779 176.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -60.85 -46.74 89.39 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.633 -0.427 . . . . 19.54 110.876 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.77 -46.34 90.86 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.438 -0.505 . . . . 25.28 111.009 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.65 -44.22 93.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.528 -0.469 . . . . 31.15 110.665 -177.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.04 -37.73 88.36 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.083 -0.647 . . . . 25.64 111.178 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -69.89 -44.46 69.69 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.74 -0.784 . . . . 24.67 111.287 -179.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 95.2 mt -57.36 -50.45 76.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.241 0.543 . . . . 23.27 110.186 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.86 -34.45 77.97 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.361 -0.536 . . . . 24.49 111.573 -176.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.97 -42.35 90.01 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.207 -0.597 . . . . 37.75 111.286 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' ARG . . . . . 0.444 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 9.0 mmm180 -68.96 -37.95 79.11 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.529 -0.468 . . . . 35.8 110.99 -179.271 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.97 61.76 1.08 Allowed 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 109.431 -0.581 . . . . 51.24 109.431 167.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.758 -0.201 . . . . 54.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.014 . . . . . . . . 22.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' SER . . . . . . . . . . . . . 31.4 p -152.8 167.45 29.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.868 -0.52 . . . . 22.24 110.223 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -138.72 161.24 37.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.617 0.723 . . . . 22.42 109.659 -173.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -53.16 137.05 48.69 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.036 -0.984 . . . . 37.05 109.223 169.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.22 -28.32 87.39 Favored 'Trans proline' 0 C--O 1.237 0.475 0 CA-C-N 119.416 0.827 . . . . 33.39 113.228 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 tp -68.55 -39.03 81.24 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.57 -0.452 . . . . 30.61 111.052 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 27' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.42 -41.85 92.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 120.888 -0.325 . . . . 23.63 110.275 175.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.57 -50.02 78.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.207 0.527 . . . . 26.31 110.13 175.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.25 90.14 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 121.881 -0.512 . . . . 25.46 111.1 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.3 88.51 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.507 -0.477 . . . . 24.33 111.226 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -67.84 -37.79 82.35 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.402 -0.519 . . . . 30.53 111.373 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.22 -40.67 88.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.326 -0.55 . . . . 27.97 110.168 174.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.98 -41.31 91.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 O-C-N 121.905 -0.497 . . . . 30.93 110.199 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.74 -45.59 95.48 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.198 -1.001 . . . . 23.32 112.304 177.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 35' ' ' ILE . . . . . . . . . . . . . 99.2 mt -61.09 -42.84 94.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 122.17 -0.606 . . . . 33.78 110.23 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 36' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.5 -42.7 92.77 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.155 -0.618 . . . . 31.68 110.919 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 37' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -59.28 -45.47 91.15 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.761 -0.376 . . . . 44.75 110.875 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.27 -41.89 97.72 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.289 -0.564 . . . . 28.37 111.107 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.23 -52.0 66.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 121.174 0.512 . . . . 31.26 110.252 178.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 40' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.39 -35.59 74.23 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.23 -0.588 . . . . 29.0 111.022 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 41' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -66.16 -40.09 90.29 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.94 -0.304 . . . . 50.54 110.987 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 42' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.91 -50.81 67.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.569 -0.452 . . . . 27.38 110.394 178.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 mt -53.68 -36.84 62.59 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.955 -0.465 . . . . 36.32 111.59 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.14 -40.63 82.38 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.308 -0.557 . . . . 38.39 111.007 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -81.13 -18.91 44.81 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 117.618 -1.633 . . . . 54.87 111.673 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.75 136.7 53.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.68 0.673 . . . . 36.62 110.144 168.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.461 -0.336 . . . . 34.93 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 31.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 22' ' ' SER . . . . . . . . . . . . . 45.1 p -152.82 162.29 41.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.933 -0.479 . . . . 24.58 110.122 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 23' ' ' SER . . . . . . . . . . . . . 32.2 m -137.6 162.19 34.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.598 0.713 . . . . 23.14 109.592 -173.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -57.89 135.3 83.46 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 114.947 -1.024 . . . . 31.47 109.496 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 25' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.89 -29.52 64.03 Favored 'Trans proline' 0 C--O 1.237 0.444 0 CA-C-N 118.806 0.609 . . . . 27.96 113.519 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.18 -38.85 75.48 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.984 -1.086 . . . . 37.45 111.036 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.95 -45.33 97.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 O-C-N 121.158 -0.964 . . . . 23.32 109.983 175.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 28' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.99 -50.93 42.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.309 0.576 . . . . 27.06 110.027 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.66 85.22 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.981 -0.45 . . . . 23.23 111.118 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.46 88.7 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.282 -0.567 . . . . 23.16 111.153 -177.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.62 -31.43 69.55 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.45 -0.5 . . . . 28.02 111.904 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.23 -44.64 83.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.48 -0.488 . . . . 28.88 110.18 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.33 -41.66 87.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 O-C-N 121.964 -0.46 . . . . 28.77 110.248 177.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.16 -51.95 52.52 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.084 -1.055 . . . . 24.92 112.37 175.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 35' ' ' ILE . . . . . . . . . . . . . 95.4 mt -56.63 -45.39 82.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 122.188 -0.595 . . . . 31.54 110.124 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 36' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.61 -46.66 86.56 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 121.909 -0.495 . . . . 29.2 110.721 178.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -53.33 -47.85 68.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.995 0.426 . . . . 33.98 110.75 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 38' ' ' LEU . . . . . . . . . . . . . 32.5 tp -59.91 -48.03 83.35 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.595 -0.442 . . . . 28.41 111.038 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 78.2 mt -57.72 -43.23 83.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.354 -0.538 . . . . 29.51 110.378 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.15 -38.36 82.06 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.879 -0.513 . . . . 30.96 111.299 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 41' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -60.07 -50.89 71.92 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.464 -0.494 . . . . 48.05 110.784 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 42' ' ' ILE . . . . . . . . . . . . . 90.1 mt -55.89 -44.94 79.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.13 0.491 . . . . 32.02 110.096 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.75 -30.87 70.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 43.45 111.108 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.62 -20.21 56.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 52.39 111.149 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -92.97 -29.51 15.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.643 0.608 . . . . 57.24 112.643 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mt -74.17 144.05 44.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 117.914 0.324 . . . . 41.39 111.092 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 35.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.033 . . . . . . . . 26.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 22' ' ' SER . . . . . . . . . . . . . 29.4 p -150.79 164.58 35.87 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.11 -0.369 . . . . 24.62 110.376 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 23' ' ' SER . . . . . . . . . . . . . 16.7 m -138.25 158.27 44.63 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.614 0.721 . . . . 21.0 109.688 -174.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -53.26 136.0 50.39 Favored Pre-proline 0 C--O 1.24 0.556 0 CA-C-N 114.959 -1.019 . . . . 32.56 109.685 172.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 25' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.16 -35.86 95.77 Favored 'Trans proline' 0 C--O 1.237 0.456 0 CA-C-N 119.01 0.682 . . . . 31.55 113.355 179.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 26' ' ' LEU . . . . . 0.434 ' C ' ' CD2' ' G' ' 26' ' ' LEU . 3.5 tt -59.78 -42.76 94.04 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.215 -0.594 . . . . 30.92 110.879 176.589 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 27' ' ' VAL . . . . . 0.493 ' O ' ' ND2' ' G' ' 31' ' ' ASN . 69.3 t -63.13 -43.4 98.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 120.925 0.393 . . . . 23.85 110.35 176.694 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 28' ' ' VAL . . . . . . . . . . . . . 81.5 t -57.6 -48.21 83.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-O 121.24 0.543 . . . . 25.43 110.142 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.72 90.35 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.295 -0.562 . . . . 23.9 111.292 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.15 91.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.359 -0.537 . . . . 24.67 111.164 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 31' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' G' ' 27' ' ' VAL . 7.4 m-80 -68.13 -37.52 81.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.359 -0.536 . . . . 26.98 111.2 179.299 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.12 -46.98 95.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 120.351 -0.54 . . . . 28.91 110.117 175.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 mt -61.26 -41.61 90.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 O-C-N 121.959 -0.463 . . . . 24.95 110.31 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.08 -42.64 97.12 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.537 -1.025 . . . . 26.1 110.537 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 mm -68.39 -41.42 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.751 -0.463 . . . . 27.97 109.751 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -61.5 -40.69 95.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.998 -0.546 . . . . 29.57 109.78 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 37' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -59.39 -44.81 92.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 43.27 109.817 179.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -66.13 -40.29 90.53 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.031 -0.531 . . . . 29.3 111.042 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.1 -46.43 94.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.22 0.533 . . . . 27.55 110.073 176.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 40' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.99 -37.9 89.03 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.468 -0.493 . . . . 27.72 111.072 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 41' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -61.87 -46.55 88.94 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.677 -0.409 . . . . 53.61 110.849 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 42' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.9 -47.25 90.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.112 0.482 . . . . 30.24 110.276 178.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.45 -40.28 90.58 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.316 -0.554 . . . . 32.48 111.317 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -62.34 -38.32 89.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.754 -0.778 . . . . 41.18 110.973 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -70.06 -40.17 75.24 Favored 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 119.489 -0.885 . . . . 56.07 111.618 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 46' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.09 141.75 52.71 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 119.039 -1.064 . . . . 36.4 111.044 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.354 -0.839 . . . . 35.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 28.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 22' ' ' SER . . . . . . . . . . . . . 30.9 p -152.39 161.45 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.818 -0.438 . . . . 19.78 109.818 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -132.94 164.31 27.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.727 0.775 . . . . 22.08 110.229 -172.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -60.15 134.25 90.52 Favored Pre-proline 0 C--O 1.239 0.53 0 CA-C-N 114.921 -1.036 . . . . 37.74 109.386 173.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 25' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -52.73 -32.63 56.19 Favored 'Trans proline' 0 C--O 1.238 0.507 0 CA-C-N 119.11 0.718 . . . . 29.76 113.82 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.7 -37.93 89.2 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.463 -0.495 . . . . 30.26 111.103 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 27' ' ' VAL . . . . . . . . . . . . . 75.3 t -70.65 -43.66 77.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 O-C-N 122.034 -0.416 . . . . 24.27 110.439 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.56 -56.93 6.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.378 0.609 . . . . 26.64 109.924 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.87 -44.06 81.87 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.994 -0.441 . . . . 26.96 111.352 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.29 90.79 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.416 -0.514 . . . . 26.1 111.152 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -69.34 -36.58 77.04 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.439 -0.504 . . . . 29.5 111.27 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.24 -48.37 87.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 121.251 0.548 . . . . 25.44 109.964 172.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 33' ' ' ILE . . . . . . . . . . . . . 87.9 mt -58.63 -44.34 89.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 122.041 -0.412 . . . . 25.95 110.252 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.51 86.58 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 120.199 -1.0 . . . . 23.75 112.396 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 mm -60.97 -42.77 94.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.467 0.707 . . . . 28.35 110.434 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.36 -46.02 91.96 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.237 -0.892 . . . . 30.68 110.672 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 37' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -55.96 -42.87 76.9 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.553 -0.459 . . . . 36.72 110.934 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 38' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.48 -49.32 75.87 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.325 -0.55 . . . . 31.88 110.909 177.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 81.2 mt -54.99 -47.59 76.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.239 0.542 . . . . 29.45 110.155 179.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -55.68 -47.9 75.97 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.824 0.85 . . . . 37.3 111.174 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 41' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -64.7 -39.46 93.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 114.566 -1.197 . . . . 49.5 111.091 -177.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 42' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.2 -44.38 99.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 O-C-N 121.221 -0.924 . . . . 33.24 110.218 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.68 -29.48 70.68 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 121.861 -0.524 . . . . 36.03 111.596 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 44' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.03 -44.79 83.64 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 122.246 -0.284 . . . . 50.21 111.006 175.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -81.75 -22.49 37.24 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 115.715 -2.394 . . . . 55.54 111.637 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 46' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.19 133.58 42.73 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 119.725 -1.859 . . . . 40.29 111.108 173.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 O-C-N 125.796 1.935 . . . . 43.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 ' B' B ' 201' ' ' HOH . . . . . 0.659 ' O ' ' OD2' ' B' ' 24' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 44.39 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 p -85.69 163.16 18.42 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.88 0.872 . . . . 39.74 111.139 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 m -99.4 153.5 18.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.381 -0.6 . . . . 35.53 109.381 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -79.2 120.09 79.41 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 117.016 -1.874 . . . . 27.97 109.196 178.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.42 -31.22 81.0 Favored 'Trans proline' 0 C--O 1.237 0.473 0 O-C-N 124.158 1.609 . . . . 31.83 113.276 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.49 -30.73 71.53 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.946 -0.702 . . . . 28.97 111.575 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.684 ' CG1' ' HB3' ' D' ' 26' ' ' LEU . 96.9 t -76.3 -38.18 32.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.642 -0.423 . . . . 26.49 110.613 176.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 32' ' ' ILE . 99.3 t -56.61 -47.44 82.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.189 0.519 . . . . 23.21 110.335 174.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.98 94.89 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.522 -0.471 . . . . 21.94 111.294 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.69 79.46 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.569 -0.452 . . . . 21.04 111.192 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -65.63 -40.63 92.77 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.269 -0.572 . . . . 35.94 111.242 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 28' ' ' VAL . 57.6 mt -65.17 -42.16 93.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 120.433 -0.507 . . . . 27.33 110.574 -178.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.4 mm -65.66 -50.56 70.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.407 -0.517 . . . . 26.34 110.489 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.14 -40.72 99.32 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.085 -1.055 . . . . 19.04 113.032 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.42 -46.23 87.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 O-C-N 122.184 -0.598 . . . . 28.66 110.603 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.84 -44.34 94.14 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.289 -0.564 . . . . 28.25 110.769 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -62.98 -44.31 96.4 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.124 0.488 . . . . 20.98 110.975 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.0 tp -62.46 -44.61 95.98 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.187 -0.605 . . . . 20.64 111.027 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.52 -50.03 80.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.138 0.494 . . . . 27.66 110.498 -178.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -56.67 -42.72 79.51 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.331 -0.547 . . . . 24.52 111.153 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -64.86 -44.03 91.05 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.427 -0.509 . . . . 22.84 111.323 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.27 -51.1 76.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.217 0.532 . . . . 26.24 110.299 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.65 -33.96 73.58 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.116 -0.634 . . . . 31.53 111.635 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -65.68 -38.61 89.77 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.206 -0.598 . . . . 31.97 111.191 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -76.79 -28.43 55.64 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.268 0.469 . . . . 40.24 112.268 178.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.3 mt -88.27 143.93 26.73 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.236 0.471 . . . . 39.35 112.105 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 35.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 54.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 12.4 p -86.92 166.21 15.3 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 123.188 0.595 . . . . 45.68 111.476 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -103.27 149.48 24.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 40.55 109.961 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASP . . . . . 0.659 ' OD2' ' O ' ' B' ' 201' ' ' HOH . 53.7 t0 -67.81 117.6 49.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.615 -0.72 . . . . 30.16 109.766 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.6 -29.4 88.42 Favored 'Trans proline' 0 C--O 1.238 0.485 0 CA-C-N 119.302 0.786 . . . . 33.03 113.308 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . 0.554 ' HB3' HG12 ' C' ' 27' ' ' VAL . 3.1 mp -69.36 -34.31 74.38 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.247 -0.581 . . . . 31.26 111.951 178.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.36 -32.25 41.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.121 -0.632 . . . . 25.62 110.456 175.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' VAL . . . . . 0.41 ' O ' HG13 ' B' ' 32' ' ' ILE . 55.5 t -64.02 -42.4 95.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 O-C-N 121.806 -0.559 . . . . 25.86 110.303 174.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.4 81.07 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.897 -0.502 . . . . 25.28 111.194 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.3 94.17 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.519 -0.473 . . . . 31.95 110.969 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASN . . . . . 0.963 ' O ' HG22 ' B' ' 35' ' ' ILE . 48.6 m-80 -63.44 -44.74 93.65 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.234 -0.587 . . . . 28.4 111.101 177.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 28' ' ' VAL . 76.0 mt -59.73 -46.96 92.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.193 0.52 . . . . 28.98 110.369 -177.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 26.1 mm -62.5 -49.86 82.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.06 0.457 . . . . 28.73 110.426 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -47.75 89.39 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.003 -1.094 . . . . 21.09 112.722 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ILE . . . . . 0.963 HG22 ' O ' ' B' ' 31' ' ' ASN . 4.4 tt -70.84 -34.28 55.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 118.045 -1.462 . . . . 45.82 110.715 -176.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -60.98 -46.53 90.39 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 120.362 -1.461 . . . . 29.3 110.798 173.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -61.5 -46.03 91.7 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.58 -0.448 . . . . 24.34 111.006 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 38.2 tp -61.61 -42.7 99.24 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.268 -0.573 . . . . 22.28 111.246 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.69 -47.9 84.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.492 -0.483 . . . . 26.51 110.513 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.31 -35.54 77.66 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.23 -0.588 . . . . 22.67 111.238 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -71.56 -44.89 63.73 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.187 -0.605 . . . . 24.3 111.191 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.28 -51.3 71.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.265 0.555 . . . . 22.99 110.237 176.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -57.49 -43.02 83.79 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.984 -0.448 . . . . 29.4 111.177 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -58.74 -45.78 88.91 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.51 -0.476 . . . . 30.16 111.04 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -67.69 -42.24 82.38 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.713 -0.395 . . . . 34.39 111.571 -176.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.61 15.04 0.88 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.427 0.528 . . . . 40.61 112.427 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.68 -0.236 . . . . 43.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 51.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -89.15 179.83 6.05 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.594 -0.691 . . . . 52.84 111.33 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -118.54 144.09 46.31 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.351 -0.611 . . . . 51.01 109.351 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -69.62 119.13 68.99 Favored Pre-proline 0 C--O 1.238 0.492 0 CA-C-N 115.961 -0.563 . . . . 29.47 109.75 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.28 -25.03 64.63 Favored 'Trans proline' 0 C--O 1.237 0.461 0 CA-C-N 119.283 0.78 . . . . 34.98 113.457 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 72.9 mt -73.74 -31.61 63.43 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.659 -0.816 . . . . 30.55 111.819 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' B' ' 26' ' ' LEU . 62.6 t -72.71 -37.09 54.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 120.202 -0.599 . . . . 25.41 110.407 176.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.7 -44.26 98.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 121.848 -0.532 . . . . 28.06 110.345 173.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' ALA . . . . . 0.441 ' O ' HG12 ' C' ' 33' ' ' ILE . . . -59.34 -43.8 92.7 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.383 -0.527 . . . . 25.51 111.017 175.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.01 75.38 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.515 -0.474 . . . . 25.3 110.966 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' ASN . . . . . 0.455 ' O ' HG13 ' C' ' 35' ' ' ILE . 90.0 m-20 -59.48 -47.5 85.24 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.682 -0.407 . . . . 31.21 111.097 178.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.92 -46.33 91.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.161 0.505 . . . . 22.99 110.437 -176.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' ILE . . . . . 0.441 HG12 ' O ' ' C' ' 29' ' ' ALA . 51.4 mm -62.81 -47.02 94.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 CA-C-O 121.219 0.533 . . . . 31.56 110.326 -179.118 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.18 -41.49 98.34 Favored Glycine 0 C--N 1.335 0.488 0 C-N-CA 120.154 -1.022 . . . . 20.7 113.038 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' ILE . . . . . 0.455 HG13 ' O ' ' C' ' 31' ' ' ASN . 43.5 mt -65.87 -43.63 93.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 O-C-N 122.265 -0.55 . . . . 26.97 110.565 -179.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 67.2 tp -62.52 -47.0 85.85 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.431 -0.508 . . . . 27.59 110.957 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -57.76 -47.85 81.33 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.593 -0.443 . . . . 20.86 111.019 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.52 -44.09 97.69 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.255 -0.578 . . . . 20.56 111.239 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.85 -50.22 80.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.182 0.515 . . . . 26.56 110.399 -179.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.35 -35.21 76.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.273 -0.571 . . . . 24.11 111.247 -178.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -70.66 -43.33 69.38 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.164 -0.614 . . . . 25.21 111.375 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.89 -48.34 89.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.213 0.53 . . . . 25.22 110.261 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.45 -37.0 84.19 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.85 -0.74 . . . . 24.61 111.194 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -59.18 -46.94 87.09 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.662 -0.415 . . . . 31.27 110.935 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -70.22 -34.2 72.61 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.402 -0.519 . . . . 38.69 112.033 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -103.74 87.78 2.9 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.648 0.261 . . . . 37.43 110.455 177.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 40.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 66.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -166.41 101.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.343 -0.614 . . . . 52.07 109.343 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -67.54 156.39 36.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.671 0.748 . . . . 36.92 111.32 -168.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -84.42 121.75 75.15 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.14 -0.937 . . . . 28.53 109.416 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.25 -29.54 80.34 Favored 'Trans proline' 0 C--O 1.237 0.453 0 CA-C-N 119.248 0.767 . . . . 34.16 113.109 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' LEU . . . . . 0.684 ' HB3' ' CG1' ' A' ' 27' ' ' VAL . 1.5 mp -59.52 -45.36 91.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.82 0.282 . . . . 31.51 111.471 175.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.16 -37.04 70.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 114.623 -1.171 . . . . 23.08 110.407 -179.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -61.66 -43.77 97.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.202 -0.599 . . . . 25.69 110.328 174.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.17 84.87 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.436 -0.505 . . . . 25.64 111.171 177.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.28 99.68 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.449 -0.5 . . . . 29.35 111.211 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -64.14 -39.28 93.69 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.167 -0.613 . . . . 33.3 111.155 178.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -65.57 -43.9 94.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.582 -0.447 . . . . 25.05 110.501 -178.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.73 -52.18 60.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.189 0.519 . . . . 27.23 110.294 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.13 -41.48 98.15 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.096 -1.05 . . . . 18.98 112.974 -177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 47.5 mt -70.43 -43.75 77.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 O-C-N 122.159 -0.612 . . . . 28.87 110.718 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.27 -45.09 92.14 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.133 -0.627 . . . . 29.79 110.779 176.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -60.85 -46.74 89.39 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.633 -0.427 . . . . 19.54 110.876 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.77 -46.34 90.86 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.438 -0.505 . . . . 25.28 111.009 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.65 -44.22 93.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.528 -0.469 . . . . 31.15 110.665 -177.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.04 -37.73 88.36 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.083 -0.647 . . . . 25.64 111.178 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -69.89 -44.46 69.69 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.74 -0.784 . . . . 24.67 111.287 -179.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 95.2 mt -57.36 -50.45 76.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.241 0.543 . . . . 23.27 110.186 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.86 -34.45 77.97 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.361 -0.536 . . . . 24.49 111.573 -176.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 44' ' ' ASP . . . . . 0.691 ' OD1' ' HB3' ' H' ' 46' ' ' LEU . 36.7 t70 -65.97 -42.35 90.01 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.207 -0.597 . . . . 37.75 111.286 176.815 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -68.96 -37.95 79.11 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.529 -0.468 . . . . 35.8 110.99 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.97 61.76 1.08 Allowed 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 109.431 -0.581 . . . . 51.24 109.431 167.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.758 -0.201 . . . . 54.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.014 . . . . . . . . 22.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 22' ' ' SER . . . . . . . . . . . . . 31.4 p -152.8 167.45 29.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.868 -0.52 . . . . 22.24 110.223 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -138.72 161.24 37.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.617 0.723 . . . . 22.42 109.659 -173.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -53.16 137.05 48.69 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.036 -0.984 . . . . 37.05 109.223 169.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 25' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.22 -28.32 87.39 Favored 'Trans proline' 0 C--O 1.237 0.475 0 CA-C-N 119.416 0.827 . . . . 33.39 113.228 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 tp -68.55 -39.03 81.24 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.57 -0.452 . . . . 30.61 111.052 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 27' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.42 -41.85 92.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 120.888 -0.325 . . . . 23.63 110.275 175.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.57 -50.02 78.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.207 0.527 . . . . 26.31 110.13 175.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.25 90.14 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 121.881 -0.512 . . . . 25.46 111.1 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.3 88.51 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.507 -0.477 . . . . 24.33 111.226 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -67.84 -37.79 82.35 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.402 -0.519 . . . . 30.53 111.373 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.22 -40.67 88.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.326 -0.55 . . . . 27.97 110.168 174.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.98 -41.31 91.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 O-C-N 121.905 -0.497 . . . . 30.93 110.199 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.74 -45.59 95.48 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.198 -1.001 . . . . 23.32 112.304 177.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 35' ' ' ILE . . . . . . . . . . . . . 99.2 mt -61.09 -42.84 94.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 122.17 -0.606 . . . . 33.78 110.23 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 36' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.5 -42.7 92.77 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.155 -0.618 . . . . 31.68 110.919 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 37' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -59.28 -45.47 91.15 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.761 -0.376 . . . . 44.75 110.875 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.27 -41.89 97.72 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.289 -0.564 . . . . 28.37 111.107 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.23 -52.0 66.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 121.174 0.512 . . . . 31.26 110.252 178.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 40' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.39 -35.59 74.23 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.23 -0.588 . . . . 29.0 111.022 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 41' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -66.16 -40.09 90.29 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.94 -0.304 . . . . 50.54 110.987 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 42' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.91 -50.81 67.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.569 -0.452 . . . . 27.38 110.394 178.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 mt -53.68 -36.84 62.59 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.955 -0.465 . . . . 36.32 111.59 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.14 -40.63 82.38 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.308 -0.557 . . . . 38.39 111.007 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -81.13 -18.91 44.81 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 117.618 -1.633 . . . . 54.87 111.673 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.75 136.7 53.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.68 0.673 . . . . 36.62 110.144 168.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.461 -0.336 . . . . 34.93 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 31.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 22' ' ' SER . . . . . . . . . . . . . 45.1 p -152.82 162.29 41.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.933 -0.479 . . . . 24.58 110.122 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 23' ' ' SER . . . . . . . . . . . . . 32.2 m -137.6 162.19 34.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.598 0.713 . . . . 23.14 109.592 -173.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -57.89 135.3 83.46 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 114.947 -1.024 . . . . 31.47 109.496 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 25' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.89 -29.52 64.03 Favored 'Trans proline' 0 C--O 1.237 0.444 0 CA-C-N 118.806 0.609 . . . . 27.96 113.519 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.18 -38.85 75.48 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.984 -1.086 . . . . 37.45 111.036 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.95 -45.33 97.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 O-C-N 121.158 -0.964 . . . . 23.32 109.983 175.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 28' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.99 -50.93 42.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.309 0.576 . . . . 27.06 110.027 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.66 85.22 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.981 -0.45 . . . . 23.23 111.118 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.46 88.7 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.282 -0.567 . . . . 23.16 111.153 -177.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.62 -31.43 69.55 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.45 -0.5 . . . . 28.02 111.904 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.23 -44.64 83.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.48 -0.488 . . . . 28.88 110.18 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.33 -41.66 87.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 O-C-N 121.964 -0.46 . . . . 28.77 110.248 177.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.16 -51.95 52.52 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.084 -1.055 . . . . 24.92 112.37 175.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 35' ' ' ILE . . . . . . . . . . . . . 95.4 mt -56.63 -45.39 82.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 122.188 -0.595 . . . . 31.54 110.124 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 36' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.61 -46.66 86.56 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 121.909 -0.495 . . . . 29.2 110.721 178.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -53.33 -47.85 68.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.995 0.426 . . . . 33.98 110.75 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 38' ' ' LEU . . . . . . . . . . . . . 32.5 tp -59.91 -48.03 83.35 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.595 -0.442 . . . . 28.41 111.038 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 78.2 mt -57.72 -43.23 83.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.354 -0.538 . . . . 29.51 110.378 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.15 -38.36 82.06 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.879 -0.513 . . . . 30.96 111.299 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 41' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -60.07 -50.89 71.92 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.464 -0.494 . . . . 48.05 110.784 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 42' ' ' ILE . . . . . . . . . . . . . 90.1 mt -55.89 -44.94 79.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.13 0.491 . . . . 32.02 110.096 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.75 -30.87 70.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 43.45 111.108 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.62 -20.21 56.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 52.39 111.149 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -92.97 -29.51 15.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.643 0.608 . . . . 57.24 112.643 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mt -74.17 144.05 44.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 117.914 0.324 . . . . 41.39 111.092 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 35.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.033 . . . . . . . . 26.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 22' ' ' SER . . . . . . . . . . . . . 29.4 p -150.79 164.58 35.87 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.11 -0.369 . . . . 24.62 110.376 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 23' ' ' SER . . . . . . . . . . . . . 16.7 m -138.25 158.27 44.63 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.614 0.721 . . . . 21.0 109.688 -174.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -53.26 136.0 50.39 Favored Pre-proline 0 C--O 1.24 0.556 0 CA-C-N 114.959 -1.019 . . . . 32.56 109.685 172.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 25' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.16 -35.86 95.77 Favored 'Trans proline' 0 C--O 1.237 0.456 0 CA-C-N 119.01 0.682 . . . . 31.55 113.355 179.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 26' ' ' LEU . . . . . 0.675 ' C ' HD23 ' G' ' 26' ' ' LEU . 3.5 tt -59.78 -42.76 94.04 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.215 -0.594 . . . . 30.92 110.879 176.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.13 -43.4 98.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 120.925 0.393 . . . . 23.85 110.35 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 28' ' ' VAL . . . . . . . . . . . . . 81.5 t -57.6 -48.21 83.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-O 121.24 0.543 . . . . 25.43 110.142 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.72 90.35 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.295 -0.562 . . . . 23.9 111.292 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.15 91.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.359 -0.537 . . . . 24.67 111.164 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 31' ' ' ASN . . . . . 0.466 ' O ' HG12 ' G' ' 35' ' ' ILE . 7.4 m-80 -68.13 -37.52 81.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.359 -0.536 . . . . 26.98 111.2 179.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.12 -46.98 95.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 120.351 -0.54 . . . . 28.91 110.117 175.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 mt -61.26 -41.61 90.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 O-C-N 121.959 -0.463 . . . . 24.95 110.31 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.08 -42.64 97.12 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.537 -1.025 . . . . 26.1 110.537 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 35' ' ' ILE . . . . . 0.466 HG12 ' O ' ' G' ' 31' ' ' ASN . 45.0 mm -68.39 -41.42 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.751 -0.463 . . . . 27.97 109.751 179.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -61.5 -40.69 95.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.998 -0.546 . . . . 29.57 109.78 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 37' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -59.39 -44.81 92.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 43.27 109.817 179.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -66.13 -40.29 90.53 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.031 -0.531 . . . . 29.3 111.042 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.1 -46.43 94.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.22 0.533 . . . . 27.55 110.073 176.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 40' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.99 -37.9 89.03 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.468 -0.493 . . . . 27.72 111.072 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 41' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -61.87 -46.55 88.94 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.677 -0.409 . . . . 53.61 110.849 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 42' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.9 -47.25 90.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.112 0.482 . . . . 30.24 110.276 178.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.45 -40.28 90.58 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.316 -0.554 . . . . 32.48 111.317 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -62.34 -38.32 89.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.754 -0.778 . . . . 41.18 110.973 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -70.06 -40.17 75.24 Favored 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 119.489 -0.885 . . . . 56.07 111.618 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 46' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.09 141.75 52.71 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 119.039 -1.064 . . . . 36.4 111.044 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.354 -0.839 . . . . 35.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 28.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 22' ' ' SER . . . . . . . . . . . . . 30.9 p -152.39 161.45 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.818 -0.438 . . . . 19.78 109.818 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -132.94 164.31 27.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.727 0.775 . . . . 22.08 110.229 -172.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -60.15 134.25 90.52 Favored Pre-proline 0 C--O 1.239 0.53 0 CA-C-N 114.921 -1.036 . . . . 37.74 109.386 173.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 25' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -52.73 -32.63 56.19 Favored 'Trans proline' 0 C--O 1.238 0.507 0 CA-C-N 119.11 0.718 . . . . 29.76 113.82 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.7 -37.93 89.2 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.463 -0.495 . . . . 30.26 111.103 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 27' ' ' VAL . . . . . . . . . . . . . 75.3 t -70.65 -43.66 77.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 O-C-N 122.034 -0.416 . . . . 24.27 110.439 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.56 -56.93 6.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.378 0.609 . . . . 26.64 109.924 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.87 -44.06 81.87 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.994 -0.441 . . . . 26.96 111.352 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.29 90.79 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.416 -0.514 . . . . 26.1 111.152 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -69.34 -36.58 77.04 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.439 -0.504 . . . . 29.5 111.27 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.24 -48.37 87.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 121.251 0.548 . . . . 25.44 109.964 172.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 33' ' ' ILE . . . . . . . . . . . . . 87.9 mt -58.63 -44.34 89.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 122.041 -0.412 . . . . 25.95 110.252 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.51 86.58 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 120.199 -1.0 . . . . 23.75 112.396 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 mm -60.97 -42.77 94.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.467 0.707 . . . . 28.35 110.434 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.36 -46.02 91.96 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.237 -0.892 . . . . 30.68 110.672 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 37' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -55.96 -42.87 76.9 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.553 -0.459 . . . . 36.72 110.934 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 38' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.48 -49.32 75.87 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.325 -0.55 . . . . 31.88 110.909 177.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 81.2 mt -54.99 -47.59 76.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.239 0.542 . . . . 29.45 110.155 179.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -55.68 -47.9 75.97 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.824 0.85 . . . . 37.3 111.174 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 41' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -64.7 -39.46 93.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 114.566 -1.197 . . . . 49.5 111.091 -177.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 42' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.2 -44.38 99.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 O-C-N 121.221 -0.924 . . . . 33.24 110.218 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.68 -29.48 70.68 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 121.861 -0.524 . . . . 36.03 111.596 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 44' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.03 -44.79 83.64 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 122.246 -0.284 . . . . 50.21 111.006 175.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 45' ' ' ARG . . . . . 0.812 ' HB3' ' NH1' ' H' ' 45' ' ' ARG . 1.4 mmm180 -81.75 -22.49 37.24 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 115.715 -2.394 . . . . 55.54 111.637 -177.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 46' ' ' LEU . . . . . 0.691 ' HB3' ' OD1' ' D' ' 44' ' ' ASP . 14.6 mt -74.19 133.58 42.73 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 119.725 -1.859 . . . . 40.29 111.108 173.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 O-C-N 125.796 1.935 . . . . 43.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 ' B' B ' 201' ' ' HOH . . . . . 0.659 ' O ' ' OD2' ' B' ' 24' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 44.39 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 p -85.69 163.16 18.42 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.88 0.872 . . . . 39.74 111.139 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 m -99.4 153.5 18.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.381 -0.6 . . . . 35.53 109.381 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -79.2 120.09 79.41 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 117.016 -1.874 . . . . 27.97 109.196 178.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.42 -31.22 81.0 Favored 'Trans proline' 0 C--O 1.237 0.473 0 O-C-N 124.158 1.609 . . . . 31.83 113.276 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.49 -30.73 71.53 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.946 -0.702 . . . . 28.97 111.575 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.684 ' CG1' ' HB3' ' D' ' 26' ' ' LEU . 96.9 t -76.3 -38.18 32.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.642 -0.423 . . . . 26.49 110.613 176.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 32' ' ' ILE . 99.3 t -56.61 -47.44 82.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.189 0.519 . . . . 23.21 110.335 174.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.98 94.89 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.522 -0.471 . . . . 21.94 111.294 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.69 79.46 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.569 -0.452 . . . . 21.04 111.192 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -65.63 -40.63 92.77 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.269 -0.572 . . . . 35.94 111.242 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 28' ' ' VAL . 57.6 mt -65.17 -42.16 93.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 120.433 -0.507 . . . . 27.33 110.574 -178.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.4 mm -65.66 -50.56 70.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.407 -0.517 . . . . 26.34 110.489 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.14 -40.72 99.32 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.085 -1.055 . . . . 19.04 113.032 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.42 -46.23 87.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 O-C-N 122.184 -0.598 . . . . 28.66 110.603 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.84 -44.34 94.14 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.289 -0.564 . . . . 28.25 110.769 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -62.98 -44.31 96.4 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.124 0.488 . . . . 20.98 110.975 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.0 tp -62.46 -44.61 95.98 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.187 -0.605 . . . . 20.64 111.027 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.52 -50.03 80.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.138 0.494 . . . . 27.66 110.498 -178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -56.67 -42.72 79.51 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.331 -0.547 . . . . 24.52 111.153 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -64.86 -44.03 91.05 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.427 -0.509 . . . . 22.84 111.323 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.27 -51.1 76.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.217 0.532 . . . . 26.24 110.299 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.65 -33.96 73.58 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.116 -0.634 . . . . 31.53 111.635 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -65.68 -38.61 89.77 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.206 -0.598 . . . . 31.97 111.191 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -76.79 -28.43 55.64 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.268 0.469 . . . . 40.24 112.268 178.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.3 mt -88.27 143.93 26.73 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.236 0.471 . . . . 39.35 112.105 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 35.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 54.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 12.4 p -86.92 166.21 15.3 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 123.188 0.595 . . . . 45.68 111.476 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -103.27 149.48 24.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 40.55 109.961 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.659 ' OD2' ' O ' ' B' ' 201' ' ' HOH . 53.7 t0 -67.81 117.6 49.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.615 -0.72 . . . . 30.16 109.766 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.6 -29.4 88.42 Favored 'Trans proline' 0 C--O 1.238 0.485 0 CA-C-N 119.302 0.786 . . . . 33.03 113.308 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.554 ' HB3' HG12 ' C' ' 27' ' ' VAL . 3.1 mp -69.36 -34.31 74.38 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.247 -0.581 . . . . 31.26 111.951 178.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.36 -32.25 41.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.121 -0.632 . . . . 25.62 110.456 175.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.41 ' O ' HG13 ' B' ' 32' ' ' ILE . 55.5 t -64.02 -42.4 95.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 O-C-N 121.806 -0.559 . . . . 25.86 110.303 174.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.4 81.07 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.897 -0.502 . . . . 25.28 111.194 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.3 94.17 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.519 -0.473 . . . . 31.95 110.969 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.963 ' O ' HG22 ' B' ' 35' ' ' ILE . 48.6 m-80 -63.44 -44.74 93.65 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.234 -0.587 . . . . 28.4 111.101 177.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 28' ' ' VAL . 76.0 mt -59.73 -46.96 92.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.193 0.52 . . . . 28.98 110.369 -177.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 26.1 mm -62.5 -49.86 82.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.06 0.457 . . . . 28.73 110.426 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -47.75 89.39 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.003 -1.094 . . . . 21.09 112.722 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.963 HG22 ' O ' ' B' ' 31' ' ' ASN . 4.4 tt -70.84 -34.28 55.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 118.045 -1.462 . . . . 45.82 110.715 -176.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -60.98 -46.53 90.39 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 120.362 -1.461 . . . . 29.3 110.798 173.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -61.5 -46.03 91.7 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.58 -0.448 . . . . 24.34 111.006 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 38.2 tp -61.61 -42.7 99.24 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.268 -0.573 . . . . 22.28 111.246 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.69 -47.9 84.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.492 -0.483 . . . . 26.51 110.513 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.31 -35.54 77.66 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.23 -0.588 . . . . 22.67 111.238 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -71.56 -44.89 63.73 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.187 -0.605 . . . . 24.3 111.191 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.28 -51.3 71.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.265 0.555 . . . . 22.99 110.237 176.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -57.49 -43.02 83.79 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.984 -0.448 . . . . 29.4 111.177 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -58.74 -45.78 88.91 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.51 -0.476 . . . . 30.16 111.04 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -67.69 -42.24 82.38 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.713 -0.395 . . . . 34.39 111.571 -176.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.61 15.04 0.88 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.427 0.528 . . . . 40.61 112.427 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.68 -0.236 . . . . 43.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 51.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -89.15 179.83 6.05 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.594 -0.691 . . . . 52.84 111.33 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -118.54 144.09 46.31 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.351 -0.611 . . . . 51.01 109.351 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -69.62 119.13 68.99 Favored Pre-proline 0 C--O 1.238 0.492 0 CA-C-N 115.961 -0.563 . . . . 29.47 109.75 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.28 -25.03 64.63 Favored 'Trans proline' 0 C--O 1.237 0.461 0 CA-C-N 119.283 0.78 . . . . 34.98 113.457 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 72.9 mt -73.74 -31.61 63.43 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.659 -0.816 . . . . 30.55 111.819 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' B' ' 26' ' ' LEU . 62.6 t -72.71 -37.09 54.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 120.202 -0.599 . . . . 25.41 110.407 176.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.7 -44.26 98.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 121.848 -0.532 . . . . 28.06 110.345 173.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.441 ' O ' HG12 ' C' ' 33' ' ' ILE . . . -59.34 -43.8 92.7 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.383 -0.527 . . . . 25.51 111.017 175.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.01 75.38 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.515 -0.474 . . . . 25.3 110.966 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.455 ' O ' HG13 ' C' ' 35' ' ' ILE . 90.0 m-20 -59.48 -47.5 85.24 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.682 -0.407 . . . . 31.21 111.097 178.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.92 -46.33 91.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.161 0.505 . . . . 22.99 110.437 -176.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.441 HG12 ' O ' ' C' ' 29' ' ' ALA . 51.4 mm -62.81 -47.02 94.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 CA-C-O 121.219 0.533 . . . . 31.56 110.326 -179.118 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.18 -41.49 98.34 Favored Glycine 0 C--N 1.335 0.488 0 C-N-CA 120.154 -1.022 . . . . 20.7 113.038 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.455 HG13 ' O ' ' C' ' 31' ' ' ASN . 43.5 mt -65.87 -43.63 93.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 O-C-N 122.265 -0.55 . . . . 26.97 110.565 -179.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 67.2 tp -62.52 -47.0 85.85 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.431 -0.508 . . . . 27.59 110.957 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -57.76 -47.85 81.33 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.593 -0.443 . . . . 20.86 111.019 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.52 -44.09 97.69 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.255 -0.578 . . . . 20.56 111.239 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.85 -50.22 80.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.182 0.515 . . . . 26.56 110.399 -179.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.35 -35.21 76.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.273 -0.571 . . . . 24.11 111.247 -178.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -70.66 -43.33 69.38 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.164 -0.614 . . . . 25.21 111.375 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.89 -48.34 89.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.213 0.53 . . . . 25.22 110.261 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.45 -37.0 84.19 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.85 -0.74 . . . . 24.61 111.194 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -59.18 -46.94 87.09 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.662 -0.415 . . . . 31.27 110.935 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -70.22 -34.2 72.61 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.402 -0.519 . . . . 38.69 112.033 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -103.74 87.78 2.9 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.648 0.261 . . . . 37.43 110.455 177.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 40.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 66.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -166.41 101.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.343 -0.614 . . . . 52.07 109.343 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -67.54 156.39 36.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.671 0.748 . . . . 36.92 111.32 -168.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -84.42 121.75 75.15 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.14 -0.937 . . . . 28.53 109.416 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.25 -29.54 80.34 Favored 'Trans proline' 0 C--O 1.237 0.453 0 CA-C-N 119.248 0.767 . . . . 34.16 113.109 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.684 ' HB3' ' CG1' ' A' ' 27' ' ' VAL . 1.5 mp -59.52 -45.36 91.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.82 0.282 . . . . 31.51 111.471 175.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.16 -37.04 70.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 114.623 -1.171 . . . . 23.08 110.407 -179.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -61.66 -43.77 97.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.202 -0.599 . . . . 25.69 110.328 174.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.17 84.87 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.436 -0.505 . . . . 25.64 111.171 177.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.28 99.68 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.449 -0.5 . . . . 29.35 111.211 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -64.14 -39.28 93.69 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.167 -0.613 . . . . 33.3 111.155 178.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -65.57 -43.9 94.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.582 -0.447 . . . . 25.05 110.501 -178.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.73 -52.18 60.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.189 0.519 . . . . 27.23 110.294 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.13 -41.48 98.15 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.096 -1.05 . . . . 18.98 112.974 -177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 47.5 mt -70.43 -43.75 77.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 O-C-N 122.159 -0.612 . . . . 28.87 110.718 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.27 -45.09 92.14 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.133 -0.627 . . . . 29.79 110.779 176.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -60.85 -46.74 89.39 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.633 -0.427 . . . . 19.54 110.876 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.77 -46.34 90.86 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.438 -0.505 . . . . 25.28 111.009 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.65 -44.22 93.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.528 -0.469 . . . . 31.15 110.665 -177.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.04 -37.73 88.36 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.083 -0.647 . . . . 25.64 111.178 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -69.89 -44.46 69.69 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.74 -0.784 . . . . 24.67 111.287 -179.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 95.2 mt -57.36 -50.45 76.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.241 0.543 . . . . 23.27 110.186 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.86 -34.45 77.97 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.361 -0.536 . . . . 24.49 111.573 -176.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.691 ' OD1' ' HB3' ' H' ' 46' ' ' LEU . 36.7 t70 -65.97 -42.35 90.01 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.207 -0.597 . . . . 37.75 111.286 176.815 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -68.96 -37.95 79.11 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.529 -0.468 . . . . 35.8 110.99 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.97 61.76 1.08 Allowed 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 109.431 -0.581 . . . . 51.24 109.431 167.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.758 -0.201 . . . . 54.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.014 . . . . . . . . 22.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' SER . . . . . . . . . . . . . 31.4 p -152.8 167.45 29.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.868 -0.52 . . . . 22.24 110.223 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -138.72 161.24 37.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.617 0.723 . . . . 22.42 109.659 -173.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -53.16 137.05 48.69 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.036 -0.984 . . . . 37.05 109.223 169.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.22 -28.32 87.39 Favored 'Trans proline' 0 C--O 1.237 0.475 0 CA-C-N 119.416 0.827 . . . . 33.39 113.228 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 tp -68.55 -39.03 81.24 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.57 -0.452 . . . . 30.61 111.052 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 27' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.42 -41.85 92.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 120.888 -0.325 . . . . 23.63 110.275 175.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.57 -50.02 78.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.207 0.527 . . . . 26.31 110.13 175.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.25 90.14 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 121.881 -0.512 . . . . 25.46 111.1 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.3 88.51 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.507 -0.477 . . . . 24.33 111.226 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -67.84 -37.79 82.35 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.402 -0.519 . . . . 30.53 111.373 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.22 -40.67 88.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.326 -0.55 . . . . 27.97 110.168 174.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.98 -41.31 91.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 O-C-N 121.905 -0.497 . . . . 30.93 110.199 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.74 -45.59 95.48 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.198 -1.001 . . . . 23.32 112.304 177.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 35' ' ' ILE . . . . . . . . . . . . . 99.2 mt -61.09 -42.84 94.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 122.17 -0.606 . . . . 33.78 110.23 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 36' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.5 -42.7 92.77 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.155 -0.618 . . . . 31.68 110.919 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 37' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -59.28 -45.47 91.15 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.761 -0.376 . . . . 44.75 110.875 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.27 -41.89 97.72 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.289 -0.564 . . . . 28.37 111.107 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.23 -52.0 66.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 121.174 0.512 . . . . 31.26 110.252 178.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 40' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.39 -35.59 74.23 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.23 -0.588 . . . . 29.0 111.022 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 41' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -66.16 -40.09 90.29 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.94 -0.304 . . . . 50.54 110.987 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 42' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.91 -50.81 67.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.569 -0.452 . . . . 27.38 110.394 178.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 mt -53.68 -36.84 62.59 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.955 -0.465 . . . . 36.32 111.59 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.14 -40.63 82.38 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.308 -0.557 . . . . 38.39 111.007 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -81.13 -18.91 44.81 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 117.618 -1.633 . . . . 54.87 111.673 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.75 136.7 53.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.68 0.673 . . . . 36.62 110.144 168.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.461 -0.336 . . . . 34.93 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 31.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 22' ' ' SER . . . . . . . . . . . . . 45.1 p -152.82 162.29 41.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.933 -0.479 . . . . 24.58 110.122 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 23' ' ' SER . . . . . . . . . . . . . 32.2 m -137.6 162.19 34.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.598 0.713 . . . . 23.14 109.592 -173.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -57.89 135.3 83.46 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 114.947 -1.024 . . . . 31.47 109.496 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 25' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.89 -29.52 64.03 Favored 'Trans proline' 0 C--O 1.237 0.444 0 CA-C-N 118.806 0.609 . . . . 27.96 113.519 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.18 -38.85 75.48 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.984 -1.086 . . . . 37.45 111.036 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.95 -45.33 97.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 O-C-N 121.158 -0.964 . . . . 23.32 109.983 175.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 28' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.99 -50.93 42.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.309 0.576 . . . . 27.06 110.027 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.66 85.22 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.981 -0.45 . . . . 23.23 111.118 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.46 88.7 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.282 -0.567 . . . . 23.16 111.153 -177.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.62 -31.43 69.55 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.45 -0.5 . . . . 28.02 111.904 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.23 -44.64 83.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.48 -0.488 . . . . 28.88 110.18 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.33 -41.66 87.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 O-C-N 121.964 -0.46 . . . . 28.77 110.248 177.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.16 -51.95 52.52 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.084 -1.055 . . . . 24.92 112.37 175.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 35' ' ' ILE . . . . . . . . . . . . . 95.4 mt -56.63 -45.39 82.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 122.188 -0.595 . . . . 31.54 110.124 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 36' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.61 -46.66 86.56 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 121.909 -0.495 . . . . 29.2 110.721 178.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -53.33 -47.85 68.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.995 0.426 . . . . 33.98 110.75 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 38' ' ' LEU . . . . . . . . . . . . . 32.5 tp -59.91 -48.03 83.35 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.595 -0.442 . . . . 28.41 111.038 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 78.2 mt -57.72 -43.23 83.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.354 -0.538 . . . . 29.51 110.378 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.15 -38.36 82.06 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.879 -0.513 . . . . 30.96 111.299 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 41' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -60.07 -50.89 71.92 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.464 -0.494 . . . . 48.05 110.784 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 42' ' ' ILE . . . . . . . . . . . . . 90.1 mt -55.89 -44.94 79.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.13 0.491 . . . . 32.02 110.096 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.75 -30.87 70.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 43.45 111.108 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.62 -20.21 56.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 52.39 111.149 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -92.97 -29.51 15.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.643 0.608 . . . . 57.24 112.643 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mt -74.17 144.05 44.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 117.914 0.324 . . . . 41.39 111.092 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 35.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.033 . . . . . . . . 26.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 22' ' ' SER . . . . . . . . . . . . . 29.4 p -150.79 164.58 35.87 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.11 -0.369 . . . . 24.62 110.376 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 23' ' ' SER . . . . . . . . . . . . . 16.7 m -138.25 158.27 44.63 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.614 0.721 . . . . 21.0 109.688 -174.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -53.26 136.0 50.39 Favored Pre-proline 0 C--O 1.24 0.556 0 CA-C-N 114.959 -1.019 . . . . 32.56 109.685 172.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 25' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.16 -35.86 95.77 Favored 'Trans proline' 0 C--O 1.237 0.456 0 CA-C-N 119.01 0.682 . . . . 31.55 113.355 179.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 26' ' ' LEU . . . . . 0.675 ' C ' HD23 ' G' ' 26' ' ' LEU . 3.5 tt -59.78 -42.76 94.04 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.215 -0.594 . . . . 30.92 110.879 176.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.13 -43.4 98.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 120.925 0.393 . . . . 23.85 110.35 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 28' ' ' VAL . . . . . . . . . . . . . 81.5 t -57.6 -48.21 83.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-O 121.24 0.543 . . . . 25.43 110.142 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.72 90.35 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.295 -0.562 . . . . 23.9 111.292 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.15 91.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.359 -0.537 . . . . 24.67 111.164 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 31' ' ' ASN . . . . . 0.466 ' O ' HG12 ' G' ' 35' ' ' ILE . 7.4 m-80 -68.13 -37.52 81.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.359 -0.536 . . . . 26.98 111.2 179.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.12 -46.98 95.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 120.351 -0.54 . . . . 28.91 110.117 175.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 mt -61.26 -41.61 90.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 O-C-N 121.959 -0.463 . . . . 24.95 110.31 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.08 -42.64 97.12 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.537 -1.025 . . . . 26.1 110.537 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 35' ' ' ILE . . . . . 0.466 HG12 ' O ' ' G' ' 31' ' ' ASN . 45.0 mm -68.39 -41.42 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.751 -0.463 . . . . 27.97 109.751 179.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -61.5 -40.69 95.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.998 -0.546 . . . . 29.57 109.78 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 37' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -59.39 -44.81 92.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 43.27 109.817 179.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -66.13 -40.29 90.53 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.031 -0.531 . . . . 29.3 111.042 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.1 -46.43 94.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.22 0.533 . . . . 27.55 110.073 176.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 40' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.99 -37.9 89.03 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.468 -0.493 . . . . 27.72 111.072 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 41' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -61.87 -46.55 88.94 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.677 -0.409 . . . . 53.61 110.849 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 42' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.9 -47.25 90.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.112 0.482 . . . . 30.24 110.276 178.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.45 -40.28 90.58 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.316 -0.554 . . . . 32.48 111.317 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -62.34 -38.32 89.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.754 -0.778 . . . . 41.18 110.973 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -70.06 -40.17 75.24 Favored 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 119.489 -0.885 . . . . 56.07 111.618 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 46' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.09 141.75 52.71 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 119.039 -1.064 . . . . 36.4 111.044 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.354 -0.839 . . . . 35.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 28.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 22' ' ' SER . . . . . . . . . . . . . 30.9 p -152.39 161.45 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.818 -0.438 . . . . 19.78 109.818 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -132.94 164.31 27.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.727 0.775 . . . . 22.08 110.229 -172.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -60.15 134.25 90.52 Favored Pre-proline 0 C--O 1.239 0.53 0 CA-C-N 114.921 -1.036 . . . . 37.74 109.386 173.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 25' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -52.73 -32.63 56.19 Favored 'Trans proline' 0 C--O 1.238 0.507 0 CA-C-N 119.11 0.718 . . . . 29.76 113.82 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.7 -37.93 89.2 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.463 -0.495 . . . . 30.26 111.103 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 27' ' ' VAL . . . . . . . . . . . . . 75.3 t -70.65 -43.66 77.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 O-C-N 122.034 -0.416 . . . . 24.27 110.439 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.56 -56.93 6.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.378 0.609 . . . . 26.64 109.924 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.87 -44.06 81.87 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.994 -0.441 . . . . 26.96 111.352 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.29 90.79 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.416 -0.514 . . . . 26.1 111.152 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -69.34 -36.58 77.04 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.439 -0.504 . . . . 29.5 111.27 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.24 -48.37 87.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 121.251 0.548 . . . . 25.44 109.964 172.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 33' ' ' ILE . . . . . . . . . . . . . 87.9 mt -58.63 -44.34 89.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 122.041 -0.412 . . . . 25.95 110.252 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.51 86.58 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 120.199 -1.0 . . . . 23.75 112.396 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 mm -60.97 -42.77 94.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.467 0.707 . . . . 28.35 110.434 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.36 -46.02 91.96 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.237 -0.892 . . . . 30.68 110.672 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 37' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -55.96 -42.87 76.9 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.553 -0.459 . . . . 36.72 110.934 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 38' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.48 -49.32 75.87 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.325 -0.55 . . . . 31.88 110.909 177.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 81.2 mt -54.99 -47.59 76.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.239 0.542 . . . . 29.45 110.155 179.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -55.68 -47.9 75.97 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.824 0.85 . . . . 37.3 111.174 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 41' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -64.7 -39.46 93.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 114.566 -1.197 . . . . 49.5 111.091 -177.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 42' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.2 -44.38 99.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 O-C-N 121.221 -0.924 . . . . 33.24 110.218 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.68 -29.48 70.68 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 121.861 -0.524 . . . . 36.03 111.596 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 44' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.03 -44.79 83.64 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 122.246 -0.284 . . . . 50.21 111.006 175.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 45' ' ' ARG . . . . . 0.812 ' HB3' ' NH1' ' H' ' 45' ' ' ARG . 1.4 mmm180 -81.75 -22.49 37.24 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 115.715 -2.394 . . . . 55.54 111.637 -177.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 46' ' ' LEU . . . . . 0.691 ' HB3' ' OD1' ' D' ' 44' ' ' ASP . 14.6 mt -74.19 133.58 42.73 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 119.725 -1.859 . . . . 40.29 111.108 173.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 O-C-N 125.796 1.935 . . . . 43.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 ' B' B ' 201' ' ' HOH . . . . . 0.659 ' O ' ' OD2' ' B' ' 24' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_