data_3vts_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3vts _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.844 0.354 . . . . 45.009999999999998 110.425 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -116.98 133.48 55.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.708 -0.678 . . . . 65.629999999999995 110.264 173.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.6 m -128.97 149.1 50.95 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.84 -0.344 . . . . 39.810000000000002 110.958 176.786 -55.34 -67.24 -84.196 104.297 2.041 100.791 -46.692 -60.074 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -59.87 136.95 58.16 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.783 -0.821 . . . . 39.810000000000002 108.783 164.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -130.13 15.5 5.67 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.49 2.033 . . . . 39.969999999999999 116.49 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -135.54 167.88 20.28 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.541 -1.281 . . . . 66.680000000000007 107.541 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.06 1.41 57.21 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.348 -1.341 . . . . 73.379999999999995 114.582 177.165 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.1 162.61 37.16 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 105.886 -1.894 . . . . 42.979999999999997 105.886 165.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -70.04 173.82 10.67 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 N-CA-C 114.889 1.073 . . . . 45.560000000000002 114.889 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.9 t80 71.86 -54.71 0.67 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 118.992 2.96 . . . . 50.969999999999999 118.992 163.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.82 138.1 6.57 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.487 0.921 . . . . 51.119999999999997 113.487 178.023 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.4 p -153.89 168.75 25.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.57 0.7 . . . . 38.789999999999999 111.941 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -138.4 158.1 44.94 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.481 -1.303 . . . . 63.57 107.481 176.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 m -85.1 128.57 34.7 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.626 -1.249 . . . . 44.920000000000002 107.626 168.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -63.51 139.24 97.56 Favored Pre-proline 0 C--O 1.238 0.483 0 N-CA-C 113.552 0.945 . . . . 41.130000000000003 113.552 179.069 -56.09 -52.931 -75.707 105.009 2.035 106.045 -111.521 -59.071 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -62.92 156.0 56.88 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 123.8 3.0 . . . . 38.789999999999999 110.962 172.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -49.82 137.05 17.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.821 0.343 . . . . 71.390000000000001 110.543 172.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.41 -27.75 18.04 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.502 -0.856 . . . . 43.030000000000001 114.68 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -101.75 96.3 6.99 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 117.346 0.573 . . . . 51.950000000000003 111.789 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -110.0 25.62 11.58 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 113.22 0.822 . . . . 58.369999999999997 113.22 -177.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -131.65 139.48 49.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.369 -0.378 . . . . 51.020000000000003 110.816 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 82.5 m -87.79 149.4 24.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.0 -1.482 . . . . 34.700000000000003 107.0 167.928 -60.074 -46.692 -84.196 100.791 2.041 104.297 -67.24 -55.34 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -133.55 152.56 51.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.817 -0.753 . . . . 43.789999999999999 110.496 175.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -138.54 124.2 19.7 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.69 -0.485 . . . . 43.170000000000002 109.69 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 60.7 mtt -100.83 136.49 40.61 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.882 -0.599 . . . . 57.530000000000001 109.674 175.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 p -133.06 155.85 48.47 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.281 0.988 . . . . 37.369999999999997 108.808 174.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.8 mt -70.88 132.57 45.46 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.29 -1.004 . . . . 45.350000000000001 108.29 165.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.7 mtt -52.87 -33.64 50.9 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.406 0.521 . . . . 105.03 112.406 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -82.42 -14.28 55.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 114.476 1.287 . . . . 95.079999999999998 114.476 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 20.8 mmm -131.47 77.07 74.28 Favored Pre-proline 0 N--CA 1.465 0.315 0 CA-C-O 119.605 -0.236 . . . . 217.44999999999999 111.139 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.02 -17.25 54.93 Favored 'Trans proline' 0 CA--C 1.535 0.536 0 C-N-CA 121.398 1.398 . . . . 51.640000000000001 114.933 -176.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -81.2 -12.75 59.09 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.054 1.131 . . . . 64.560000000000002 114.054 -175.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -114.79 109.77 47.26 Favored Pre-proline 0 CA--C 1.515 -0.375 0 N-CA-C 112.377 0.51 . . . . 44.710000000000001 112.377 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -70.65 133.47 24.01 Favored 'Trans proline' 0 C--O 1.239 0.53 0 N-CA-C 107.233 -1.872 . . . . 36.380000000000003 107.233 174.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 pt -106.13 -17.44 7.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 119.916 -0.714 . . . . 41.450000000000003 110.61 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' B' ' 45' ' ' LYS . 59.4 tttp -163.17 131.54 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.296 -1.002 . . . . 44.759999999999998 108.296 179.973 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -142.4 153.63 43.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.808 -0.633 . . . . 40.869999999999997 110.696 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.0 -157.5 30.0 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 116.0 -0.545 . . . . 42.280000000000001 113.075 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.19 155.41 17.49 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.634 -0.506 . . . . 41.020000000000003 109.634 177.558 -59.071 -111.521 -75.707 106.045 2.035 105.009 -52.931 -56.09 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -154.85 157.92 38.6 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.815 0.697 . . . . 46.789999999999999 109.206 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -92.77 -50.15 5.72 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.204 -0.599 . . . . 99.109999999999999 112.478 175.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.19 140.4 42.84 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.183 -1.043 . . . . 46.009999999999998 108.183 171.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.9 t -66.85 122.06 80.62 Favored Pre-proline 0 CA--C 1.519 -0.245 0 C-N-CA 120.247 -0.581 . . . . 50.469999999999999 112.164 -178.771 -170.175 74.134 89.127 96.902 2.032 98.369 122.61 -74.28 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.31 148.68 85.25 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.511 2.14 . . . . 57.57 112.081 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' NZ ' ' B' ' 36' ' ' LYS . 0.0 OUTLIER -82.08 145.99 29.88 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.179 -0.919 . . . . 84.480000000000004 111.569 -176.02 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.8 m -74.07 163.76 27.47 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.322 -0.551 . . . . 50.460000000000001 109.568 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.1 p -126.56 -177.88 4.16 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.748 -0.834 . . . . 35.359999999999999 108.748 171.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -25.43 67.09 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.344 0.868 . . . . 77.359999999999999 113.344 176.435 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.38 -23.2 11.67 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.066 0.765 . . . . 40.75 113.066 -175.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.4 t -119.04 129.76 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.919 1.081 . . . . 44.210000000000001 113.919 -174.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -98.08 138.93 34.65 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.791 -0.64 . . . . 94.040000000000006 109.363 171.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 t -120.57 114.17 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 112.798 0.666 . . . . 46.159999999999997 112.798 174.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.98 138.91 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.228 0.611 . . . . 84.879999999999995 110.383 169.055 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.5 139.91 51.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.119 0.485 . . . . 43.759999999999998 110.114 170.463 -74.28 122.61 89.127 98.369 2.032 96.902 74.134 -170.175 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.4 p -151.57 157.52 42.33 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.727 -1.212 . . . . 38.119999999999997 107.727 -176.142 52.206 91.626 90.216 98.779 2.048 107.211 88.139 59.721 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -125.36 23.26 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 117.321 2.341 . . . . 82.890000000000001 117.321 -172.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 162.35 14.01 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 119.799 -0.76 . . . . 74.299999999999997 109.605 167.349 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.59 125.43 19.74 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.894 1.072 . . . . 72.209999999999994 113.894 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 55.64 33.47 21.3 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.349 -0.841 . . . . 72.099999999999994 111.988 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.0 p -81.13 -13.01 59.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.896 -0.593 . . . . 40.340000000000003 111.983 -175.086 59.721 88.139 90.216 107.211 2.048 98.779 91.626 52.206 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 112.609 0.596 . . . . 40.899999999999999 112.609 -179.456 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' B' ' 110' ' ' HOH . 67.6 tp . . . . . 0 C--O 1.226 -0.176 0 CA-C-O 120.994 0.425 . . . . 44.640000000000001 111.243 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -117.24 132.69 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.998 -0.546 . . . . 65.069999999999993 109.714 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 66.7 m -127.34 147.71 50.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.541 . . . . 41.280000000000001 111.417 177.682 -57.864 -63.944 -86.761 103.678 2.024 100.867 -42.639 -61.056 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -60.97 137.13 58.24 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 107.771 -1.196 . . . . 39.140000000000001 107.771 165.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -130.45 13.96 5.51 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.086 1.884 . . . . 38.869999999999997 116.086 -176.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -133.89 169.46 17.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.56 -1.274 . . . . 70.909999999999997 107.56 177.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.97 0.5 57.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 118.78 -1.168 . . . . 72.120000000000005 113.941 176.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -87.81 164.45 34.18 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 106.376 -1.712 . . . . 46.210000000000001 106.376 166.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -72.55 174.53 11.51 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 N-CA-C 114.431 0.896 . . . . 43.609999999999999 114.431 -179.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 72.6 t80 71.59 -53.63 0.68 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 119.39 3.107 . . . . 54.359999999999999 119.39 164.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 139.01 11.44 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.314 0.578 . . . . 50.009999999999998 112.515 -179.828 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -151.87 168.96 23.48 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.776 -0.769 . . . . 36.5 111.88 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -137.12 158.99 43.21 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 107.453 -1.314 . . . . 64.659999999999997 107.453 173.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 52.4 m -84.33 128.7 34.73 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.063 -1.458 . . . . 44.5 107.063 169.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 59.5 m -64.93 139.51 97.82 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 113.354 0.872 . . . . 43.729999999999997 113.354 178.374 -55.289 -53.789 -77.494 104.272 2.036 104.002 -108.93 -58.58 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -62.33 158.64 39.28 Favored 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 123.735 2.957 . . . . 41.57 110.677 172.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -53.82 138.02 36.97 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.045 -0.724 . . . . 61.25 109.045 174.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.3 -26.88 22.58 Favored Glycine 0 C--O 1.22 -0.719 0 C-N-CA 121.118 -0.563 . . . . 42.079999999999998 113.322 177.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -102.86 95.74 6.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.231 0.539 . . . . 46.57 111.343 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -109.44 24.31 13.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.34 0.867 . . . . 51.619999999999997 113.34 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 98.1 mt -129.0 139.9 51.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.751 0.31 . . . . 44.840000000000003 111.527 171.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 76.6 m -86.73 148.2 25.53 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.471 -1.307 . . . . 36.670000000000002 107.471 166.166 -61.056 -42.639 -86.761 100.867 2.024 103.678 -63.944 -57.864 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -132.36 152.68 51.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.276 -0.57 . . . . 48.049999999999997 110.59 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' B' ' 128' ' ' HOH . 38.9 ttpt -137.41 125.08 22.3 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.596 -0.729 . . . . 39.689999999999998 109.062 173.32 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 57.6 mtt -100.89 135.81 41.74 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.484 -0.325 . . . . 59.619999999999997 110.353 173.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -131.33 158.01 41.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.598 -0.89 . . . . 39.649999999999999 108.598 172.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.55 133.43 45.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.431 -0.952 . . . . 40.310000000000002 108.431 164.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 32.6 mtt -52.34 -35.25 50.47 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.114 0.413 . . . . 101.23 112.114 -177.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -80.64 -15.38 56.72 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.27 1.211 . . . . 92.519999999999996 114.27 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.9 mmm -130.84 74.77 79.63 Favored Pre-proline 0 N--CA 1.466 0.342 0 C-N-CA 122.08 0.152 . . . . 217.11000000000001 111.355 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.93 -17.63 59.98 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 121.086 1.191 . . . . 53.109999999999999 114.372 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LYS . . . . . 0.644 ' NZ ' ' O ' ' B' ' 118' ' ' HOH . 17.3 mmtm -80.22 -13.81 58.93 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.297 1.221 . . . . 72.079999999999998 114.297 -174.877 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.48 109.67 48.19 Favored Pre-proline 0 N--CA 1.467 0.38 0 N-CA-C 113.607 0.966 . . . . 43.460000000000001 113.607 -176.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -70.04 132.92 23.87 Favored 'Trans proline' 0 CA--C 1.517 -0.326 0 N-CA-C 108.095 -1.541 . . . . 34.340000000000003 108.095 175.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 pt -105.31 -18.01 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.671 -0.812 . . . . 42.43 110.414 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' A' ' 45' ' ' LYS . 56.0 tttp -164.12 131.69 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.17 -1.048 . . . . 44.909999999999997 108.17 -179.191 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -143.46 154.47 43.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 47.380000000000003 110.734 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.6 -156.89 28.91 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.455 -0.402 . . . . 42.0 112.422 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 71.6 m -101.6 155.68 17.95 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.973 -0.751 . . . . 41.68 108.973 -179.243 -58.58 -108.93 -77.494 104.002 2.036 104.272 -53.789 -55.289 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -155.48 158.57 38.75 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.978 -0.749 . . . . 49.049999999999997 108.978 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -92.61 -53.52 4.16 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 119.996 -0.682 . . . . 101.38 112.016 174.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.39 139.46 41.84 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.543 -0.91 . . . . 44.380000000000003 108.543 172.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 t -64.5 122.89 81.01 Favored Pre-proline 0 C--O 1.241 0.606 0 N-CA-C 111.858 0.318 . . . . 47.719999999999999 111.858 -178.046 -166.556 66.134 94.021 101.395 2.044 95.654 124.722 -74.29 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -60.78 147.97 93.44 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 121.453 1.435 . . . . 52.630000000000003 112.037 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LYS . . . . . 0.412 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -74.9 144.86 43.13 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.609 -0.723 . . . . 87.109999999999999 111.666 -179.932 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -69.87 162.78 27.29 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.997 -0.681 . . . . 50.43 112.066 169.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 40.3 p -125.75 -178.11 4.15 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.016 -0.735 . . . . 37.630000000000003 109.016 170.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -24.44 65.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.752 1.019 . . . . 73.900000000000006 113.752 175.188 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.8 mt -111.16 -20.69 12.26 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.779 1.029 . . . . 35.200000000000003 113.779 -175.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.83 130.06 74.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-O 121.817 0.817 . . . . 45.68 112.678 -173.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -97.51 139.2 33.78 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.299 -0.864 . . . . 91.709999999999994 109.604 171.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 9.2 t -121.04 112.92 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 112.878 0.696 . . . . 48.020000000000003 112.878 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -85.94 139.77 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 122.982 0.513 . . . . 85.780000000000001 109.771 169.682 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.79 141.61 50.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.465 -0.569 . . . . 41.409999999999997 109.465 169.032 -74.29 124.722 94.021 95.654 2.044 101.395 66.134 -166.556 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 15.6 p -151.67 162.33 41.17 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.801 -1.185 . . . . 36.840000000000003 107.801 -178.221 53.625 94.464 91.685 99.536 2.022 111.194 84.459 62.064 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -128.93 21.65 5.83 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 117.015 2.228 . . . . 84.25 117.015 -171.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.25 161.55 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.271 -0.572 . . . . 73.370000000000005 109.858 168.602 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.51 126.03 20.12 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 114.161 1.171 . . . . 67.099999999999994 114.161 -177.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.4 mttt 55.28 32.87 19.5 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.567 -0.742 . . . . 68.689999999999998 112.826 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.15 -9.65 59.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.675 -0.693 . . . . 37.119999999999997 112.139 -173.607 62.064 84.459 91.685 111.194 2.022 99.536 94.464 53.625 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 119.228 -0.415 . . . . 40.979999999999997 111.684 -178.155 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . 0.428 ' O ' ' N ' ' B' ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . 0.644 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . 0.52 ' O ' ' NZ ' ' B' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.844 0.354 . . . . 45.01 110.425 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -116.98 133.48 55.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.708 -0.678 . . . . 65.63 110.264 173.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.6 m -128.97 149.1 50.95 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.84 -0.344 . . . . 39.81 110.958 176.786 -55.34 -67.24 -84.196 104.297 2.041 100.791 -46.692 -60.074 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -59.87 136.95 58.16 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.783 -0.821 . . . . 39.81 108.783 164.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -130.13 15.5 5.67 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.49 2.033 . . . . 39.97 116.49 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -135.54 167.88 20.28 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.541 -1.281 . . . . 66.68 107.541 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' B' ' 48' ' ' LEU . 0.0 OUTLIER -92.06 1.41 57.21 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.348 -1.341 . . . . 73.38 114.582 177.165 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.1 162.61 37.16 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 105.886 -1.894 . . . . 42.98 105.886 165.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -70.04 173.82 10.67 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 N-CA-C 114.889 1.073 . . . . 45.56 114.889 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.9 t80 71.86 -54.71 0.67 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 118.992 2.96 . . . . 50.97 118.992 163.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.82 138.1 6.57 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.487 0.921 . . . . 51.12 113.487 178.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.4 p -153.89 168.75 25.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.57 0.7 . . . . 38.79 111.941 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -138.4 158.1 44.94 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.481 -1.303 . . . . 63.57 107.481 176.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 m -85.1 128.57 34.7 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.626 -1.249 . . . . 44.92 107.626 168.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 61.1 m -63.51 139.24 97.56 Favored Pre-proline 0 C--O 1.238 0.483 0 N-CA-C 113.552 0.945 . . . . 41.13 113.552 179.069 -56.09 -52.931 -75.707 105.009 2.035 106.045 -111.521 -59.071 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 13.4 Cg_exo -62.92 156.0 56.88 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 123.8 3.0 . . . . 38.79 110.962 172.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -49.82 137.05 17.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.821 0.343 . . . . 71.39 110.543 172.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.41 -27.75 18.04 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.502 -0.856 . . . . 43.03 114.68 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -101.75 96.3 6.99 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 117.346 0.573 . . . . 51.95 111.789 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -110.0 25.62 11.58 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 113.22 0.822 . . . . 58.37 113.22 -177.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 56' ' ' ASN . 79.0 mt -131.65 139.48 49.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.369 -0.378 . . . . 51.02 110.816 173.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 82.5 m -87.79 149.4 24.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.0 -1.482 . . . . 34.7 107.0 167.928 -60.074 -46.692 -84.196 100.791 2.041 104.297 -67.24 -55.34 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -133.55 152.56 51.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.817 -0.753 . . . . 43.79 110.496 175.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -138.54 124.2 19.7 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.69 -0.485 . . . . 43.17 109.69 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 60.7 mtt -100.83 136.49 40.61 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.882 -0.599 . . . . 57.53 109.674 175.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 p -133.06 155.85 48.47 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.281 0.988 . . . . 37.37 108.808 174.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.8 mt -70.88 132.57 45.46 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.29 -1.004 . . . . 45.35 108.29 165.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.7 mtt -52.87 -33.64 50.9 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.406 0.521 . . . . 105.03 112.406 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -82.42 -14.28 55.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 114.476 1.287 . . . . 95.08 114.476 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 20.8 mmm -131.47 77.07 74.28 Favored Pre-proline 0 N--CA 1.465 0.315 0 CA-C-O 119.605 -0.236 . . . . 217.45 111.139 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.02 -17.25 54.93 Favored 'Trans proline' 0 CA--C 1.535 0.536 0 C-N-CA 121.398 1.398 . . . . 51.64 114.933 -176.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -81.2 -12.75 59.09 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.054 1.131 . . . . 64.56 114.054 -175.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -114.79 109.77 47.26 Favored Pre-proline 0 CA--C 1.515 -0.375 0 N-CA-C 112.377 0.51 . . . . 44.71 112.377 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -70.65 133.47 24.01 Favored 'Trans proline' 0 C--O 1.239 0.53 0 N-CA-C 107.233 -1.872 . . . . 36.38 107.233 174.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 pt -106.13 -17.44 7.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 119.916 -0.714 . . . . 41.45 110.61 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HZ1' ' HE3' ' B' ' 45' ' ' LYS . 59.4 tttp -163.17 131.54 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.296 -1.002 . . . . 44.76 108.296 179.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -142.4 153.63 43.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.808 -0.633 . . . . 40.87 110.696 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.0 -157.5 30.0 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 116.0 -0.545 . . . . 42.28 113.075 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.19 155.41 17.49 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.634 -0.506 . . . . 41.02 109.634 177.558 -59.071 -111.521 -75.707 106.045 2.035 105.009 -52.931 -56.09 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -154.85 157.92 38.6 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.815 0.697 . . . . 46.79 109.206 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -92.77 -50.15 5.72 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.204 -0.599 . . . . 99.11 112.478 175.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.19 140.4 42.84 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.183 -1.043 . . . . 46.01 108.183 171.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.9 t -66.85 122.06 80.62 Favored Pre-proline 0 CA--C 1.519 -0.245 0 C-N-CA 120.247 -0.581 . . . . 50.47 112.164 -178.771 -170.175 74.134 89.127 96.902 2.032 98.369 122.61 -74.28 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.31 148.68 85.25 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.511 2.14 . . . . 57.57 112.081 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.662 ' H ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -82.08 145.99 29.88 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.179 -0.919 . . . . 84.48 111.569 -176.02 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.8 m -74.07 163.76 27.47 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.322 -0.551 . . . . 50.46 109.568 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.1 p -126.56 -177.88 4.16 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.748 -0.834 . . . . 35.36 108.748 171.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' HB2' HD21 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -61.27 -25.43 67.09 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.344 0.868 . . . . 77.36 113.344 176.435 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.38 -23.2 11.67 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.066 0.765 . . . . 40.75 113.066 -175.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.4 t -119.04 129.76 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.919 1.081 . . . . 44.21 113.919 -174.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -98.08 138.93 34.65 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.791 -0.64 . . . . 94.04 109.363 171.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 t -120.57 114.17 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 112.798 0.666 . . . . 46.16 112.798 174.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.98 138.91 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.228 0.611 . . . . 84.88 110.383 169.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.5 139.91 51.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.119 0.485 . . . . 43.76 110.114 170.463 -74.28 122.61 89.127 98.369 2.032 96.902 74.134 -170.175 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.4 p -151.57 157.52 42.33 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.727 -1.212 . . . . 38.12 107.727 -176.142 52.206 91.626 90.216 98.779 2.048 107.211 88.139 59.721 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' HB3' HD23 ' A' ' 21' ' ' LEU . 42.8 p30 -125.36 23.26 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 117.321 2.341 . . . . 82.89 117.321 -172.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . 0.755 ' HG2' ' HB3' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -107.5 162.35 14.01 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 119.799 -0.76 . . . . 74.3 109.605 167.349 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.59 125.43 19.74 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.894 1.072 . . . . 72.21 113.894 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 55.64 33.47 21.3 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.349 -0.841 . . . . 72.1 111.988 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' CYS . . . . . 0.755 ' HB3' ' HG2' ' A' ' 57' ' ' LYS . 27.0 p -81.13 -13.01 59.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.896 -0.593 . . . . 40.34 111.983 -175.086 59.721 88.139 90.216 107.211 2.048 98.779 91.626 52.206 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 112.609 0.596 . . . . 40.9 112.609 -179.456 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 67.6 tp . . . . . 0 C--O 1.226 -0.176 0 CA-C-O 120.994 0.425 . . . . 44.64 111.243 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -117.24 132.69 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.998 -0.546 . . . . 65.07 109.714 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 66.7 m -127.34 147.71 50.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.541 . . . . 41.28 111.417 177.682 -57.864 -63.944 -86.761 103.678 2.024 100.867 -42.639 -61.056 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -60.97 137.13 58.24 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 107.771 -1.196 . . . . 39.14 107.771 165.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -130.45 13.96 5.51 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.086 1.884 . . . . 38.87 116.086 -176.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -133.89 169.46 17.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.56 -1.274 . . . . 70.91 107.56 177.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -92.97 0.5 57.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 118.78 -1.168 . . . . 72.12 113.941 176.489 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -87.81 164.45 34.18 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 106.376 -1.712 . . . . 46.21 106.376 166.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -72.55 174.53 11.51 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 N-CA-C 114.431 0.896 . . . . 43.61 114.431 -179.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 72.6 t80 71.59 -53.63 0.68 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 119.39 3.107 . . . . 54.36 119.39 164.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 139.01 11.44 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.314 0.578 . . . . 50.01 112.515 -179.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -151.87 168.96 23.48 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.776 -0.769 . . . . 36.5 111.88 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -137.12 158.99 43.21 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 107.453 -1.314 . . . . 64.66 107.453 173.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 52.4 m -84.33 128.7 34.73 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.063 -1.458 . . . . 44.5 107.063 169.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 59.5 m -64.93 139.51 97.82 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 113.354 0.872 . . . . 43.73 113.354 178.374 -55.289 -53.789 -77.494 104.272 2.036 104.002 -108.93 -58.58 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PRO . . . . . 0.444 ' HG3' ' O ' ' B' ' 129' ' ' HOH . 14.6 Cg_exo -62.33 158.64 39.28 Favored 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 123.735 2.957 . . . . 41.57 110.677 172.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -53.82 138.02 36.97 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.045 -0.724 . . . . 61.25 109.045 174.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.3 -26.88 22.58 Favored Glycine 0 C--O 1.22 -0.719 0 C-N-CA 121.118 -0.563 . . . . 42.08 113.322 177.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -102.86 95.74 6.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.231 0.539 . . . . 46.57 111.343 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -109.44 24.31 13.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.34 0.867 . . . . 51.62 113.34 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LEU . . . . . 0.428 HD23 ' HB3' ' B' ' 56' ' ' ASN . 98.1 mt -129.0 139.9 51.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.751 0.31 . . . . 44.84 111.527 171.083 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 76.6 m -86.73 148.2 25.53 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.471 -1.307 . . . . 36.67 107.471 166.166 -61.056 -42.639 -86.761 100.867 2.024 103.678 -63.944 -57.864 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -132.36 152.68 51.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.276 -0.57 . . . . 48.05 110.59 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -137.41 125.08 22.3 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.596 -0.729 . . . . 39.69 109.062 173.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 57.6 mtt -100.89 135.81 41.74 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.484 -0.325 . . . . 59.62 110.353 173.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -131.33 158.01 41.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.598 -0.89 . . . . 39.65 108.598 172.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.55 133.43 45.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.431 -0.952 . . . . 40.31 108.431 164.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 32.6 mtt -52.34 -35.25 50.47 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.114 0.413 . . . . 101.23 112.114 -177.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -80.64 -15.38 56.72 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.27 1.211 . . . . 92.52 114.27 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.9 mmm -130.84 74.77 79.63 Favored Pre-proline 0 N--CA 1.466 0.342 0 C-N-CA 122.08 0.152 . . . . 217.11 111.355 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.93 -17.63 59.98 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 121.086 1.191 . . . . 53.11 114.372 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LYS . . . . . 0.56 ' HD3' ' O ' ' B' ' 118' ' ' HOH . 17.3 mmtm -80.22 -13.81 58.93 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.297 1.221 . . . . 72.08 114.297 -174.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.48 109.67 48.19 Favored Pre-proline 0 N--CA 1.467 0.38 0 N-CA-C 113.607 0.966 . . . . 43.46 113.607 -176.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -70.04 132.92 23.87 Favored 'Trans proline' 0 CA--C 1.517 -0.326 0 N-CA-C 108.095 -1.541 . . . . 34.34 108.095 175.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 pt -105.31 -18.01 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.671 -0.812 . . . . 42.43 110.414 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LYS . . . . . 0.497 ' HZ1' ' HE3' ' A' ' 45' ' ' LYS . 56.0 tttp -164.12 131.69 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.17 -1.048 . . . . 44.91 108.17 -179.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -143.46 154.47 43.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 47.38 110.734 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.6 -156.89 28.91 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.455 -0.402 . . . . 42.0 112.422 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 71.6 m -101.6 155.68 17.95 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.973 -0.751 . . . . 41.68 108.973 -179.243 -58.58 -108.93 -77.494 104.002 2.036 104.272 -53.789 -55.289 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -155.48 158.57 38.75 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.978 -0.749 . . . . 49.05 108.978 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -92.61 -53.52 4.16 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 119.996 -0.682 . . . . 101.38 112.016 174.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.39 139.46 41.84 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.543 -0.91 . . . . 44.38 108.543 172.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 t -64.5 122.89 81.01 Favored Pre-proline 0 C--O 1.241 0.606 0 N-CA-C 111.858 0.318 . . . . 47.72 111.858 -178.046 -166.556 66.134 94.021 101.395 2.044 95.654 124.722 -74.29 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -60.78 147.97 93.44 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 121.453 1.435 . . . . 52.63 112.037 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LYS . . . . . 0.734 ' HE3' ' H ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -74.9 144.86 43.13 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.609 -0.723 . . . . 87.11 111.666 -179.932 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -69.87 162.78 27.29 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.997 -0.681 . . . . 50.43 112.066 169.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 40.3 p -125.75 -178.11 4.15 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.016 -0.735 . . . . 37.63 109.016 170.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -60.82 -24.44 65.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.752 1.019 . . . . 73.9 113.752 175.188 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.8 mt -111.16 -20.69 12.26 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.779 1.029 . . . . 35.2 113.779 -175.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.83 130.06 74.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-O 121.817 0.817 . . . . 45.68 112.678 -173.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -97.51 139.2 33.78 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.299 -0.864 . . . . 91.71 109.604 171.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 9.2 t -121.04 112.92 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 112.878 0.696 . . . . 48.02 112.878 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -85.94 139.77 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 122.982 0.513 . . . . 85.78 109.771 169.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.79 141.61 50.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.465 -0.569 . . . . 41.41 109.465 169.032 -74.29 124.722 94.021 95.654 2.044 101.395 66.134 -166.556 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 15.6 p -151.67 162.33 41.17 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.801 -1.185 . . . . 36.84 107.801 -178.221 53.625 94.464 91.685 99.536 2.022 111.194 84.459 62.064 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASN . . . . . 0.428 ' HB3' HD23 ' B' ' 21' ' ' LEU . 39.2 p30 -128.93 21.65 5.83 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 117.015 2.228 . . . . 84.25 117.015 -171.108 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LYS . . . . . 0.757 ' HG2' ' HB3' ' B' ' 60' ' ' CYS . 0.0 OUTLIER -107.25 161.55 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.271 -0.572 . . . . 73.37 109.858 168.602 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.51 126.03 20.12 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 114.161 1.171 . . . . 67.1 114.161 -177.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.4 mttt 55.28 32.87 19.5 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.567 -0.742 . . . . 68.69 112.826 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' CYS . . . . . 0.757 ' HB3' ' HG2' ' B' ' 57' ' ' LYS . 29.2 p -82.15 -9.65 59.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.675 -0.693 . . . . 37.12 112.139 -173.607 62.064 84.459 91.685 111.194 2.022 99.536 94.464 53.625 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 119.228 -0.415 . . . . 40.98 111.684 -178.155 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . 0.56 ' O ' ' HD3' ' B' ' 32' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 129' ' ' HOH . . . . . 0.444 ' O ' ' HG3' ' B' ' 16' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.844 0.354 . . . . 45.009999999999998 110.425 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -116.98 133.48 55.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.708 -0.678 . . . . 65.629999999999995 110.264 173.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.6 m -128.97 149.1 50.95 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.84 -0.344 . . . . 39.810000000000002 110.958 176.786 -55.34 -67.24 -84.196 104.297 2.041 100.791 -46.692 -60.074 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -59.87 136.95 58.16 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.783 -0.821 . . . . 39.810000000000002 108.783 164.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -130.13 15.5 5.67 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.49 2.033 . . . . 39.969999999999999 116.49 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -135.54 167.88 20.28 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.541 -1.281 . . . . 66.680000000000007 107.541 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' B' ' 48' ' ' LEU . 0.0 OUTLIER -92.06 1.41 57.21 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.348 -1.341 . . . . 73.379999999999995 114.582 177.165 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.1 162.61 37.16 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 105.886 -1.894 . . . . 42.979999999999997 105.886 165.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -70.04 173.82 10.67 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 N-CA-C 114.889 1.073 . . . . 45.560000000000002 114.889 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.9 t80 71.86 -54.71 0.67 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 118.992 2.96 . . . . 50.969999999999999 118.992 163.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.82 138.1 6.57 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.487 0.921 . . . . 51.119999999999997 113.487 178.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.4 p -153.89 168.75 25.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.57 0.7 . . . . 38.789999999999999 111.941 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -138.4 158.1 44.94 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.481 -1.303 . . . . 63.57 107.481 176.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 m -85.1 128.57 34.7 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.626 -1.249 . . . . 44.920000000000002 107.626 168.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 61.1 m -63.51 139.24 97.56 Favored Pre-proline 0 C--O 1.238 0.483 0 N-CA-C 113.552 0.945 . . . . 41.130000000000003 113.552 179.069 -56.09 -52.931 -75.707 105.009 2.035 106.045 -111.521 -59.071 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 13.4 Cg_exo -62.92 156.0 56.88 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 123.8 3.0 . . . . 38.789999999999999 110.962 172.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -49.82 137.05 17.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.821 0.343 . . . . 71.390000000000001 110.543 172.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.41 -27.75 18.04 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.502 -0.856 . . . . 43.030000000000001 114.68 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -101.75 96.3 6.99 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 117.346 0.573 . . . . 51.950000000000003 111.789 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -110.0 25.62 11.58 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 113.22 0.822 . . . . 58.369999999999997 113.22 -177.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 56' ' ' ASN . 79.0 mt -131.65 139.48 49.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.369 -0.378 . . . . 51.020000000000003 110.816 173.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 82.5 m -87.79 149.4 24.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.0 -1.482 . . . . 34.700000000000003 107.0 167.928 -60.074 -46.692 -84.196 100.791 2.041 104.297 -67.24 -55.34 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -133.55 152.56 51.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.817 -0.753 . . . . 43.789999999999999 110.496 175.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -138.54 124.2 19.7 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.69 -0.485 . . . . 43.170000000000002 109.69 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 60.7 mtt -100.83 136.49 40.61 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.882 -0.599 . . . . 57.530000000000001 109.674 175.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 p -133.06 155.85 48.47 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.281 0.988 . . . . 37.369999999999997 108.808 174.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.8 mt -70.88 132.57 45.46 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.29 -1.004 . . . . 45.350000000000001 108.29 165.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.7 mtt -52.87 -33.64 50.9 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.406 0.521 . . . . 105.03 112.406 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -82.42 -14.28 55.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 114.476 1.287 . . . . 95.079999999999998 114.476 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 20.8 mmm -131.47 77.07 74.28 Favored Pre-proline 0 N--CA 1.465 0.315 0 CA-C-O 119.605 -0.236 . . . . 217.44999999999999 111.139 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.02 -17.25 54.93 Favored 'Trans proline' 0 CA--C 1.535 0.536 0 C-N-CA 121.398 1.398 . . . . 51.640000000000001 114.933 -176.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -81.2 -12.75 59.09 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.054 1.131 . . . . 64.560000000000002 114.054 -175.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -114.79 109.77 47.26 Favored Pre-proline 0 CA--C 1.515 -0.375 0 N-CA-C 112.377 0.51 . . . . 44.710000000000001 112.377 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -70.65 133.47 24.01 Favored 'Trans proline' 0 C--O 1.239 0.53 0 N-CA-C 107.233 -1.872 . . . . 36.380000000000003 107.233 174.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 pt -106.13 -17.44 7.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 119.916 -0.714 . . . . 41.450000000000003 110.61 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HZ1' ' HE3' ' B' ' 45' ' ' LYS . 59.4 tttp -163.17 131.54 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.296 -1.002 . . . . 44.759999999999998 108.296 179.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -142.4 153.63 43.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.808 -0.633 . . . . 40.869999999999997 110.696 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.0 -157.5 30.0 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 116.0 -0.545 . . . . 42.280000000000001 113.075 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.19 155.41 17.49 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.634 -0.506 . . . . 41.020000000000003 109.634 177.558 -59.071 -111.521 -75.707 106.045 2.035 105.009 -52.931 -56.09 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -154.85 157.92 38.6 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.815 0.697 . . . . 46.789999999999999 109.206 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -92.77 -50.15 5.72 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.204 -0.599 . . . . 99.109999999999999 112.478 175.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.19 140.4 42.84 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.183 -1.043 . . . . 46.009999999999998 108.183 171.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.9 t -66.85 122.06 80.62 Favored Pre-proline 0 CA--C 1.519 -0.245 0 C-N-CA 120.247 -0.581 . . . . 50.469999999999999 112.164 -178.771 -170.175 74.134 89.127 96.902 2.032 98.369 122.61 -74.28 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.31 148.68 85.25 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.511 2.14 . . . . 57.57 112.081 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.662 ' CE ' ' H ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -82.08 145.99 29.88 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.179 -0.919 . . . . 84.480000000000004 111.569 -176.02 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.8 m -74.07 163.76 27.47 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.322 -0.551 . . . . 50.460000000000001 109.568 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.1 p -126.56 -177.88 4.16 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.748 -0.834 . . . . 35.359999999999999 108.748 171.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' HB2' HD21 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -61.27 -25.43 67.09 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.344 0.868 . . . . 77.359999999999999 113.344 176.435 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.38 -23.2 11.67 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.066 0.765 . . . . 40.75 113.066 -175.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.4 t -119.04 129.76 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.919 1.081 . . . . 44.210000000000001 113.919 -174.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -98.08 138.93 34.65 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.791 -0.64 . . . . 94.040000000000006 109.363 171.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 t -120.57 114.17 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 112.798 0.666 . . . . 46.159999999999997 112.798 174.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.98 138.91 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.228 0.611 . . . . 84.879999999999995 110.383 169.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.5 139.91 51.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.119 0.485 . . . . 43.759999999999998 110.114 170.463 -74.28 122.61 89.127 98.369 2.032 96.902 74.134 -170.175 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.4 p -151.57 157.52 42.33 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.727 -1.212 . . . . 38.119999999999997 107.727 -176.142 52.206 91.626 90.216 98.779 2.048 107.211 88.139 59.721 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' HB3' HD23 ' A' ' 21' ' ' LEU . 42.8 p30 -125.36 23.26 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 117.321 2.341 . . . . 82.890000000000001 117.321 -172.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.755 ' HG2' ' HB3' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -107.5 162.35 14.01 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 119.799 -0.76 . . . . 74.299999999999997 109.605 167.349 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.59 125.43 19.74 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.894 1.072 . . . . 72.209999999999994 113.894 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 55.64 33.47 21.3 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.349 -0.841 . . . . 72.099999999999994 111.988 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.755 ' HB3' ' HG2' ' A' ' 57' ' ' LYS . 27.0 p -81.13 -13.01 59.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.896 -0.593 . . . . 40.340000000000003 111.983 -175.086 59.721 88.139 90.216 107.211 2.048 98.779 91.626 52.206 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 112.609 0.596 . . . . 40.899999999999999 112.609 -179.456 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 67.6 tp . . . . . 0 C--O 1.226 -0.176 0 CA-C-O 120.994 0.425 . . . . 44.640000000000001 111.243 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -117.24 132.69 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.998 -0.546 . . . . 65.069999999999993 109.714 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 66.7 m -127.34 147.71 50.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.541 . . . . 41.280000000000001 111.417 177.682 -57.864 -63.944 -86.761 103.678 2.024 100.867 -42.639 -61.056 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -60.97 137.13 58.24 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 107.771 -1.196 . . . . 39.140000000000001 107.771 165.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -130.45 13.96 5.51 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.086 1.884 . . . . 38.869999999999997 116.086 -176.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -133.89 169.46 17.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.56 -1.274 . . . . 70.909999999999997 107.56 177.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -92.97 0.5 57.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 118.78 -1.168 . . . . 72.120000000000005 113.941 176.489 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -87.81 164.45 34.18 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 106.376 -1.712 . . . . 46.210000000000001 106.376 166.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -72.55 174.53 11.51 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 N-CA-C 114.431 0.896 . . . . 43.609999999999999 114.431 -179.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 72.6 t80 71.59 -53.63 0.68 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 119.39 3.107 . . . . 54.359999999999999 119.39 164.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 139.01 11.44 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.314 0.578 . . . . 50.009999999999998 112.515 -179.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -151.87 168.96 23.48 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.776 -0.769 . . . . 36.5 111.88 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -137.12 158.99 43.21 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 107.453 -1.314 . . . . 64.659999999999997 107.453 173.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 52.4 m -84.33 128.7 34.73 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.063 -1.458 . . . . 44.5 107.063 169.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 59.5 m -64.93 139.51 97.82 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 113.354 0.872 . . . . 43.729999999999997 113.354 178.374 -55.289 -53.789 -77.494 104.272 2.036 104.002 -108.93 -58.58 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.444 ' HG3' ' O ' ' B' ' 129' ' ' HOH . 14.6 Cg_exo -62.33 158.64 39.28 Favored 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 123.735 2.957 . . . . 41.57 110.677 172.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -53.82 138.02 36.97 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.045 -0.724 . . . . 61.25 109.045 174.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.3 -26.88 22.58 Favored Glycine 0 C--O 1.22 -0.719 0 C-N-CA 121.118 -0.563 . . . . 42.079999999999998 113.322 177.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -102.86 95.74 6.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.231 0.539 . . . . 46.57 111.343 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -109.44 24.31 13.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.34 0.867 . . . . 51.619999999999997 113.34 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.428 HD23 ' HB3' ' B' ' 56' ' ' ASN . 98.1 mt -129.0 139.9 51.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.751 0.31 . . . . 44.840000000000003 111.527 171.083 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 76.6 m -86.73 148.2 25.53 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.471 -1.307 . . . . 36.670000000000002 107.471 166.166 -61.056 -42.639 -86.761 100.867 2.024 103.678 -63.944 -57.864 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -132.36 152.68 51.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.276 -0.57 . . . . 48.049999999999997 110.59 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -137.41 125.08 22.3 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.596 -0.729 . . . . 39.689999999999998 109.062 173.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 57.6 mtt -100.89 135.81 41.74 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.484 -0.325 . . . . 59.619999999999997 110.353 173.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -131.33 158.01 41.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.598 -0.89 . . . . 39.649999999999999 108.598 172.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.55 133.43 45.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.431 -0.952 . . . . 40.310000000000002 108.431 164.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 32.6 mtt -52.34 -35.25 50.47 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.114 0.413 . . . . 101.23 112.114 -177.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -80.64 -15.38 56.72 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.27 1.211 . . . . 92.519999999999996 114.27 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.9 mmm -130.84 74.77 79.63 Favored Pre-proline 0 N--CA 1.466 0.342 0 C-N-CA 122.08 0.152 . . . . 217.11000000000001 111.355 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.93 -17.63 59.98 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 121.086 1.191 . . . . 53.109999999999999 114.372 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.56 ' HD3' ' O ' ' B' ' 118' ' ' HOH . 17.3 mmtm -80.22 -13.81 58.93 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.297 1.221 . . . . 72.079999999999998 114.297 -174.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.48 109.67 48.19 Favored Pre-proline 0 N--CA 1.467 0.38 0 N-CA-C 113.607 0.966 . . . . 43.460000000000001 113.607 -176.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -70.04 132.92 23.87 Favored 'Trans proline' 0 CA--C 1.517 -0.326 0 N-CA-C 108.095 -1.541 . . . . 34.340000000000003 108.095 175.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 pt -105.31 -18.01 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.671 -0.812 . . . . 42.43 110.414 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.497 ' HZ1' ' HE3' ' A' ' 45' ' ' LYS . 56.0 tttp -164.12 131.69 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.17 -1.048 . . . . 44.909999999999997 108.17 -179.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -143.46 154.47 43.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 47.380000000000003 110.734 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.6 -156.89 28.91 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.455 -0.402 . . . . 42.0 112.422 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 71.6 m -101.6 155.68 17.95 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.973 -0.751 . . . . 41.68 108.973 -179.243 -58.58 -108.93 -77.494 104.002 2.036 104.272 -53.789 -55.289 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -155.48 158.57 38.75 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.978 -0.749 . . . . 49.049999999999997 108.978 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -92.61 -53.52 4.16 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 119.996 -0.682 . . . . 101.38 112.016 174.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.39 139.46 41.84 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.543 -0.91 . . . . 44.380000000000003 108.543 172.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 t -64.5 122.89 81.01 Favored Pre-proline 0 C--O 1.241 0.606 0 N-CA-C 111.858 0.318 . . . . 47.719999999999999 111.858 -178.046 -166.556 66.134 94.021 101.395 2.044 95.654 124.722 -74.29 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -60.78 147.97 93.44 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 121.453 1.435 . . . . 52.630000000000003 112.037 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.734 ' H ' ' HE3' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -74.9 144.86 43.13 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.609 -0.723 . . . . 87.109999999999999 111.666 -179.932 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -69.87 162.78 27.29 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.997 -0.681 . . . . 50.43 112.066 169.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 40.3 p -125.75 -178.11 4.15 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.016 -0.735 . . . . 37.630000000000003 109.016 170.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -60.82 -24.44 65.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.752 1.019 . . . . 73.900000000000006 113.752 175.188 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.8 mt -111.16 -20.69 12.26 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.779 1.029 . . . . 35.200000000000003 113.779 -175.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.83 130.06 74.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-O 121.817 0.817 . . . . 45.68 112.678 -173.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -97.51 139.2 33.78 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.299 -0.864 . . . . 91.709999999999994 109.604 171.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 9.2 t -121.04 112.92 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 112.878 0.696 . . . . 48.020000000000003 112.878 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -85.94 139.77 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 122.982 0.513 . . . . 85.780000000000001 109.771 169.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.79 141.61 50.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.465 -0.569 . . . . 41.409999999999997 109.465 169.032 -74.29 124.722 94.021 95.654 2.044 101.395 66.134 -166.556 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 15.6 p -151.67 162.33 41.17 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.801 -1.185 . . . . 36.840000000000003 107.801 -178.221 53.625 94.464 91.685 99.536 2.022 111.194 84.459 62.064 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.428 ' HB3' HD23 ' B' ' 21' ' ' LEU . 39.2 p30 -128.93 21.65 5.83 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 117.015 2.228 . . . . 84.25 117.015 -171.108 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.757 ' HG2' ' HB3' ' B' ' 60' ' ' CYS . 0.0 OUTLIER -107.25 161.55 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.271 -0.572 . . . . 73.370000000000005 109.858 168.602 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.51 126.03 20.12 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 114.161 1.171 . . . . 67.099999999999994 114.161 -177.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.4 mttt 55.28 32.87 19.5 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.567 -0.742 . . . . 68.689999999999998 112.826 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.757 ' HB3' ' HG2' ' B' ' 57' ' ' LYS . 29.2 p -82.15 -9.65 59.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.675 -0.693 . . . . 37.119999999999997 112.139 -173.607 62.064 84.459 91.685 111.194 2.022 99.536 94.464 53.625 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 119.228 -0.415 . . . . 40.979999999999997 111.684 -178.155 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . 0.56 ' O ' ' HD3' ' B' ' 32' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' HOH . . . . . 0.444 ' O ' ' HG3' ' B' ' 16' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_