data_6sts_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6sts _Structure_validation_residue.Date_analyzed 2020-04-03 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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 112.673 -0.171 . . . . 115.36 112.673 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 42.3 ttp -58.77 125.73 24.7 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.924 0.392 . . . . 82.349999999999994 110.802 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.3 t -55.58 133.58 50.47 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.963 -0.562 . . . . 73.650000000000006 109.939 174.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -68.18 -8.7 40.99 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.559 0.577 . . . . 69.549999999999997 112.559 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.83 -12.18 45.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.476 0.58 . . . . 69.260000000000005 112.058 171.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -74.0 -31.61 63.04 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.132 0.424 . . . . 77.480000000000004 111.058 170.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' O ' ' NZ ' ' A' ' 130' ' ' LYS . 2.1 mt -65.56 140.94 58.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.215 0.531 . . . . 74.459999999999994 110.487 -176.134 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.12 -165.09 25.23 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 109.991 -1.244 . . . . 71.109999999999999 109.991 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.6 m -118.52 124.56 47.84 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.017 -1.105 . . . . 84.420000000000002 108.017 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TRP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 128' ' ' TYR . 24.4 m95 -115.1 137.34 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.801 -0.444 . . . . 78.120000000000005 109.801 -176.494 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 130.99 57.06 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 107.219 -1.4 . . . . 89.950000000000003 107.219 -177.497 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.8 tp -66.88 136.89 56.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.063 0.459 . . . . 70.170000000000002 110.691 -178.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.8 m -140.08 11.55 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 116.133 -0.485 . . . . 67.859999999999999 111.491 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.1 t -177.88 130.32 0.14 Allowed 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.304 -0.247 . . . . 93.859999999999999 110.414 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.2 t -135.54 135.72 40.6 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.868 0.366 . . . . 78.859999999999999 110.227 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -134.7 132.48 38.91 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.07 -1.085 . . . . 81.030000000000001 108.07 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 58.65 16.32 4.27 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 112.919 0.711 . . . . 85.140000000000001 112.919 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -67.45 -41.26 85.03 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.393 -0.817 . . . . 78.680000000000007 111.085 176.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 17' ' ' ASP . 12.8 p-10 -51.3 -45.4 62.16 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.779 0.323 . . . . 87.590000000000003 111.193 175.931 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -75.51 -31.81 60.3 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.201 -0.6 . . . . 88.450000000000003 111.818 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -60.2 -52.7 64.17 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.125 0.488 . . . . 74.920000000000002 110.435 174.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -60.07 3.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.118 0.485 . . . . 60.909999999999997 110.948 176.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -53.3 -30.44 38.87 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.901 0.334 . . . . 87.230000000000004 111.901 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.83 -8.63 58.98 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.422 0.897 . . . . 67.239999999999995 113.422 -174.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -96.64 -17.68 20.22 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.49 0.922 . . . . 70.620000000000005 113.49 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.5 24.55 10.04 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-O 119.275 -0.736 . . . . 90.170000000000002 113.137 -172.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.2 t -72.55 131.58 34.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 118.115 0.958 . . . . 79.219999999999999 109.156 -176.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.0 145.5 6.91 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 116.173 -0.467 . . . . 85.480000000000004 112.675 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . 0.422 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -67.89 -17.92 64.63 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.636 -0.426 . . . . 74.680000000000007 111.905 -176.168 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.39 -45.96 21.09 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.663 -0.415 . . . . 78.680000000000007 110.702 170.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . 0.642 ' OG1' ' OE2' ' B' ' 14' ' ' GLU . 2.6 m -68.62 -14.41 62.99 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 111.943 0.349 . . . . 75.609999999999999 111.943 178.229 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.67 -60.49 2.29 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.899 0.318 . . . . 68.530000000000001 111.575 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -50.14 -39.65 43.92 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.744 -0.383 . . . . 150.62 111.96 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -16.79 59.96 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.733 0.642 . . . . 94.489999999999995 112.733 -177.581 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.13 -28.13 26.34 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.882 -0.675 . . . . 64.659999999999997 112.3 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -70.24 -17.13 63.12 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.101 0.408 . . . . 86.829999999999998 112.101 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mt -102.86 -12.43 17.55 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.201 0.815 . . . . 81.280000000000001 113.201 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.81 138.07 38.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.398 0.545 . . . . 87.239999999999995 111.288 -176.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 77.0 52.2 Favored Pre-proline 0 C--O 1.242 0.678 0 N-CA-C 107.015 -1.476 . . . . 73.519999999999996 107.015 175.468 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.39 156.22 67.1 Favored 'Trans proline' 0 C--N 1.332 -0.308 0 CA-C-O 122.306 0.878 . . . . 74.599999999999994 112.881 -170.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.52 131.27 52.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.488 -1.233 . . . . 78.769999999999996 108.351 171.197 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -115.24 131.09 68.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.49 -0.93 . . . . 70.879999999999995 108.49 -173.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.75 119.09 56.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 107.75 -1.204 . . . . 132.74000000000001 107.75 -176.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.7 mt -107.84 111.44 35.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.065 -1.087 . . . . 64.189999999999998 108.065 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.0 p -113.48 170.76 8.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.708 0.766 . . . . 68.599999999999994 109.717 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -144.63 150.91 38.19 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.445 -0.798 . . . . 103.37 109.185 176.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -148.54 68.47 1.08 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 122.801 1.286 . . . . 129.66999999999999 107.892 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.73 -100.7 2.5 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.388 -0.824 . . . . 96.129999999999995 112.108 -178.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -119.64 9.1 11.35 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 117.355 0.577 . . . . 101.98999999999999 111.742 173.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.79 127.61 53.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 108.156 -1.053 . . . . 84.870000000000005 108.156 177.891 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.7 mt -108.4 133.37 53.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 108.171 -1.048 . . . . 73.540000000000006 108.171 -179.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.19 129.22 54.01 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.027 -0.731 . . . . 91.049999999999997 109.027 -179.72 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.9 mt -117.71 108.21 24.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 106.498 -1.667 . . . . 80.629999999999995 106.498 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 61' ' ' GLU . 48.0 ttt85 -99.15 140.54 33.17 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.021 -0.733 . . . . 74.109999999999999 109.021 178.241 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.73 104.86 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 106.746 -1.576 . . . . 70.859999999999999 106.746 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -103.19 119.66 39.28 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.095 -0.705 . . . . 75.870000000000005 109.095 -176.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -129.12 157.88 40.52 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.835 -0.802 . . . . 88.989999999999995 108.835 173.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.1 m -57.86 -53.96 52.3 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.685 0.755 . . . . 84.019999999999996 109.159 166.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -51.2 -71.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.821 1.248 . . . . 127.15000000000001 113.314 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 75' ' ' ALA . 39.2 tttt -132.18 170.86 14.41 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.875 0.845 . . . . 104.39 111.017 -173.536 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -136.59 145.57 45.1 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.041 -0.981 . . . . 76.340000000000003 109.305 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.5 p -139.94 165.98 25.88 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.38 -0.97 . . . . 61.609999999999999 108.38 175.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' OE1' ' NH1' ' A' ' 52' ' ' ARG . 43.1 tt0 -167.61 135.4 2.38 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.204 -0.665 . . . . 65.069999999999993 109.204 179.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 30.1 pt -133.54 138.01 51.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.526 -0.916 . . . . 63.090000000000003 108.526 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -122.78 136.06 54.75 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.719 -1.215 . . . . 74.760000000000005 107.719 174.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -161.07 168.24 24.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.858 0.837 . . . . 67.810000000000002 110.296 -170.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -121.98 143.84 49.24 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.457 -1.247 . . . . 88.150000000000006 108.194 170.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.7 mt -59.24 132.43 53.99 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.025 0.441 . . . . 79.319999999999993 110.874 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.12 -11.62 48.16 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 115.326 0.891 . . . . 68.590000000000003 115.326 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -98.86 130.37 45.27 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.603 1.201 . . . . 97.200000000000003 109.886 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -77.0 138.76 39.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 85.040000000000006 110.219 -177.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -136.72 167.86 20.63 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.33 -0.989 . . . . 62.159999999999997 108.33 179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -96.71 133.19 41.56 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.844 -0.798 . . . . 92.409999999999997 108.844 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -128.1 138.64 52.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.868 -0.419 . . . . 61.659999999999997 109.868 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.1 m -111.79 113.72 26.25 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 106.64 -1.615 . . . . 60.909999999999997 106.64 172.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.2 p -82.85 165.82 19.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 122.083 0.944 . . . . 82.319999999999993 110.901 -167.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . . . -51.56 -34.31 36.16 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.923 -1.035 . . . . 59.57 111.679 179.019 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -96.93 23.82 6.8 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.311 0.644 . . . . 68.739999999999995 112.403 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.3 t30 59.2 63.06 1.67 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.404 0.621 . . . . 90.739999999999995 111.543 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -117.49 122.93 45.06 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.476 -0.935 . . . . 71.930000000000007 108.476 169.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -85.67 95.13 9.27 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 106.727 -1.583 . . . . 115.09 106.727 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -108.07 170.36 8.05 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 122.008 0.909 . . . . 70.090000000000003 110.48 -171.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -125.86 92.73 3.65 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 106.145 -1.798 . . . . 117.81 106.145 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -101.21 158.79 15.77 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.865 0.84 . . . . 58.630000000000003 111.148 -165.735 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.8 mt -140.53 145.43 25.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 107.447 -1.316 . . . . 80.260000000000005 107.447 174.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.2 t -121.75 122.17 66.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 108.061 -1.089 . . . . 64.739999999999995 108.061 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.0 p -120.78 164.16 17.02 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.442 0.639 . . . . 80.420000000000002 109.543 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 tp -115.91 131.53 56.91 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.897 -0.779 . . . . 67.0 108.897 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -148.12 112.24 5.19 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.458 -0.941 . . . . 91.480000000000004 108.458 -176.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 56.29 29.03 14.24 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.274 0.359 . . . . 124.69 111.311 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.13 84.83 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-O 119.084 -0.842 . . . . 89.900000000000006 114.894 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.7 m -93.79 139.88 30.33 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.452 1.126 . . . . 87.340000000000003 110.031 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -100.31 99.58 10.26 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 107.378 -1.342 . . . . 68.209999999999994 107.378 -178.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -99.28 120.55 39.74 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.689 -0.486 . . . . 84.780000000000001 109.689 -173.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -110.24 135.85 50.35 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.034 -0.728 . . . . 57.170000000000002 109.034 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 82' ' ' SER . 6.2 p -128.45 125.34 63.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.092 -1.077 . . . . 59.18 108.092 -178.865 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -111.12 127.16 55.48 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.092 -0.707 . . . . 54.460000000000001 109.092 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 -120.96 135.17 55.27 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.895 0.478 . . . . 104.15000000000001 110.144 -177.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -167.47 147.02 5.1 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.318 -0.623 . . . . 73.629999999999995 109.318 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 50.85 41.27 26.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.666 -0.697 . . . . 102.79000000000001 111.177 173.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.23 23.89 58.15 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.364 -0.922 . . . . 81.290000000000006 113.83 -175.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -114.07 -176.61 2.94 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.35 -0.982 . . . . 88.400000000000006 108.35 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -175.3 143.12 0.64 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.343 -0.543 . . . . 91.5 110.938 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 118' ' ' LYS . 8.8 t -146.82 153.33 40.06 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.091 -0.707 . . . . 70.769999999999996 109.091 174.321 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 p -120.07 145.32 46.98 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.017 -0.538 . . . . 71.980000000000004 109.871 -177.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.7 mt -130.14 97.21 3.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.32 -1.733 . . . . 70.069999999999993 106.32 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -90.95 118.59 30.46 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.398 -0.964 . . . . 88.459999999999994 108.398 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -106.66 108.46 19.98 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.153 -1.055 . . . . 76.129999999999995 108.153 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . 0.411 ' HZ3' ' HB3' ' A' ' 107' ' ' LYS . 7.9 ttpm? -111.03 161.23 16.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.361 0.664 . . . . 73.370000000000005 109.868 -177.193 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.4 mt -108.61 135.02 50.55 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.287 -0.869 . . . . 80.159999999999997 109.193 174.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.7 t -142.93 105.54 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 107.729 -1.211 . . . . 80.150000000000006 107.729 -176.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.3 m120 59.22 52.07 6.4 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.723 0.773 . . . . 80.629999999999995 110.727 175.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.28 -0.76 22.76 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-O 119.075 -0.847 . . . . 85.200000000000003 115.028 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -117.73 145.05 44.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.426 1.113 . . . . 89.670000000000002 109.473 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 54.4 ttp -94.51 131.29 40.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.75 -0.659 . . . . 68.329999999999998 110.581 -177.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.78 145.53 17.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 107.674 -1.232 . . . . 74.510000000000005 107.674 176.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.42 113.7 17.2 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.198 -0.667 . . . . 63.299999999999997 109.198 -177.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -101.05 112.68 25.21 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 108.451 -0.944 . . . . 85.019999999999996 108.451 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.9 m -108.12 117.84 35.18 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.667 -0.864 . . . . 86.290000000000006 108.667 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' O ' ' OG1' ' A' ' 102' ' ' THR . 45.2 mttt -108.84 144.76 36.3 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.065 0.546 . . . . 102.91 110.19 179.194 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 16.3 tpt -167.83 100.99 0.47 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.017 -0.538 . . . . 79.670000000000002 110.341 175.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 52.65 59.67 4.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.154 0.978 . . . . 101.53 110.71 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 72.71 2.85 57.59 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 115.785 1.074 . . . . 71.230000000000004 115.785 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -96.59 137.62 23.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 118.966 1.383 . . . . 75.530000000000001 107.978 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.8 t -129.15 104.65 11.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.554 -1.276 . . . . 71.829999999999998 107.554 -175.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.46 153.96 19.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.228 0.537 . . . . 65.310000000000002 109.891 170.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 56.4 m -144.17 115.71 8.12 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.702 -0.851 . . . . 83.0 108.702 -178.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -124.78 130.32 52.18 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.297 -0.631 . . . . 78.129999999999995 109.297 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.4 mt -107.35 140.35 25.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 N-CA-C 108.656 -0.868 . . . . 84.640000000000001 108.656 -178.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' TYR . . . . . 0.488 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 58.5 m-85 -128.38 132.9 48.54 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.589 -0.523 . . . . 59.469999999999999 109.589 -173.623 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -105.8 132.07 52.37 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.039 -0.726 . . . . 91.040000000000006 109.039 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LYS . . . . . 0.48 ' NZ ' ' O ' ' A' ' 5' ' ' LEU . 1.7 tppt? -63.17 142.67 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.285 -0.566 . . . . 87.349999999999994 109.839 173.96 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 23.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.549 . . . . 100.83 110.259 178.169 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.414 0 N-CA-C 112.471 -0.252 . . . . 93.239999999999995 112.471 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 42.5 ttp -57.64 126.18 26.23 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.866 -0.42 . . . . 79.180000000000007 109.866 -178.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 46.7 t -53.34 134.15 39.88 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.07 -0.514 . . . . 65.180000000000007 110.339 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -66.64 -10.91 50.97 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.756 -0.657 . . . . 86.609999999999999 112.48 179.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.2 -13.59 62.11 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.368 0.531 . . . . 96.219999999999999 112.425 171.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -74.73 -33.45 62.37 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.396 0.544 . . . . 73.260000000000005 111.997 174.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . 0.547 ' O ' ' NZ ' ' B' ' 130' ' ' LYS . 28.9 mt -66.83 140.79 57.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.137 0.494 . . . . 69.769999999999996 110.328 -176.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.93 -165.9 25.27 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.917 -0.873 . . . . 85.069999999999993 110.917 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 86.6 m -118.73 125.06 48.81 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.477 -0.935 . . . . 75.989999999999995 108.477 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' TRP . . . . . 0.503 ' HB3' ' HB3' ' B' ' 128' ' ' TYR . 18.8 m95 -115.84 138.57 51.03 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.271 0.357 . . . . 73.840000000000003 110.287 -175.242 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' B' ' 37' ' ' LYS . 43.1 tptt -114.37 132.44 56.21 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.363 -0.606 . . . . 89.060000000000002 109.363 -178.71 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.0 137.94 55.49 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.083 0.468 . . . . 79.959999999999994 110.442 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -139.87 11.66 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 115.994 -0.548 . . . . 97.760000000000005 110.272 -176.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.0 t -178.37 130.68 0.13 Allowed 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.247 -0.279 . . . . 95.290000000000006 110.247 178.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 13.0 t -133.49 134.64 43.73 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.839 -0.8 . . . . 90.269999999999996 108.839 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . 0.642 ' OE2' ' OG1' ' A' ' 29' ' ' THR . 5.9 tt0 -135.68 132.61 37.18 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.543 -0.54 . . . . 74.109999999999999 109.543 -176.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 m120 56.42 16.59 2.51 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.353 0.408 . . . . 86.129999999999995 111.965 174.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -66.24 -41.63 89.73 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.539 -0.464 . . . . 84.810000000000002 110.696 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' B' ' 17' ' ' ASP . 14.5 p-10 -51.77 -43.8 63.14 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.688 0.28 . . . . 84.819999999999993 111.137 173.951 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.77 -31.73 63.45 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 111.867 0.321 . . . . 73.900000000000006 111.867 -177.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -61.08 -55.52 31.7 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.913 0.387 . . . . 84.120000000000005 111.024 176.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 52.5 mtm -53.45 -45.63 69.57 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.932 0.396 . . . . 70.769999999999996 110.998 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -55.82 -25.25 40.82 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 112.159 0.429 . . . . 95.140000000000001 112.159 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.69 -8.93 51.29 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.014 0.746 . . . . 70.519999999999996 113.014 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -96.31 -16.72 21.17 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.991 0.737 . . . . 56.640000000000001 112.991 177.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.6 24.06 9.65 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-O 119.284 -0.731 . . . . 70.989999999999995 113.804 -173.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' VAL . . . . . 0.415 HG13 ' HB ' ' B' ' 29' ' ' THR . 11.8 t -73.51 127.61 35.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 118.151 0.975 . . . . 74.959999999999994 109.368 -178.043 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.34 159.84 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.794 -0.522 . . . . 77.25 111.794 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.26 -76.38 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-N 117.572 0.686 . . . . 77.670000000000002 111.523 -178.409 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.69 -41.73 4.93 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.306 0.642 . . . . 73.359999999999999 112.533 -177.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . 0.415 ' HB ' HG13 ' B' ' 25' ' ' VAL . 3.0 m -65.67 -17.56 64.69 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 112.555 0.576 . . . . 93.510000000000005 112.555 -178.047 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -76.25 -56.75 4.36 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 118.549 0.613 . . . . 92.010000000000005 109.64 171.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -47.78 -42.3 25.48 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.961 -0.563 . . . . 88.790000000000006 111.025 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.27 -20.45 57.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.423 0.527 . . . . 97.810000000000002 112.423 -178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.82 -28.95 17.03 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.909 -0.876 . . . . 80.700000000000003 110.909 174.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -71.12 -17.98 62.54 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.031 0.382 . . . . 91.879999999999995 112.031 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.62 -9.84 20.58 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.208 0.603 . . . . 79.180000000000007 112.545 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.86 153.65 34.57 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.713 0.768 . . . . 100.48 110.838 -176.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LYS . . . . . 0.56 ' O ' ' NZ ' ' B' ' 9' ' ' LYS . 42.9 mttm -132.47 67.49 78.6 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 107.902 -1.147 . . . . 141.21000000000001 107.902 175.071 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.08 153.79 55.8 Favored 'Trans proline' 0 CA--C 1.518 -0.313 0 CA-C-O 121.774 0.656 . . . . 81.450000000000003 112.114 -172.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.8 p -106.33 132.71 52.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.481 -1.304 . . . . 58.450000000000003 107.481 170.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 53.4 t -113.19 130.87 66.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 108.359 -0.978 . . . . 62.140000000000001 108.359 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.74 119.49 58.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 107.368 -1.345 . . . . 62.5 107.368 -177.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 mt -106.44 111.97 37.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 106.789 -1.56 . . . . 71.459999999999994 106.789 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.33 172.18 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.771 . . . . 86.0 109.723 -178.418 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -144.37 151.57 39.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.274 -0.875 . . . . 101.58 109.417 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.34 63.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.359 1.076 . . . . 150.40000000000001 108.136 -179.425 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.61 -98.06 2.35 Favored Glycine 0 N--CA 1.449 -0.492 0 O-C-N 121.188 -0.945 . . . . 107.87 111.582 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -117.13 7.58 13.07 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.224 0.453 . . . . 103.09999999999999 112.224 174.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.69 128.61 55.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 108.267 -1.012 . . . . 85.450000000000003 108.267 176.103 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 28.3 mt -108.69 133.45 53.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 107.966 -1.124 . . . . 87.730000000000004 107.966 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.3 m -120.39 129.05 53.76 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.736 -0.468 . . . . 65.859999999999999 109.736 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 86.9 mt -119.3 108.09 22.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.798 -1.186 . . . . 84.230000000000004 107.798 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -100.95 141.4 33.89 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.919 0.488 . . . . 68.989999999999995 110.187 176.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -122.0 107.38 12.16 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.838 -1.171 . . . . 57.090000000000003 107.838 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -102.63 116.47 32.66 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.795 -0.446 . . . . 64.989999999999995 109.795 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' SER . . . . . 0.669 ' OG ' ' O ' ' B' ' 58' ' ' LYS . 95.2 p -132.47 160.84 35.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.654 -0.869 . . . . 74.170000000000002 108.654 172.21 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.6 m -58.79 -57.35 13.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.821 -0.627 . . . . 115.14 110.804 171.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -51.84 -67.2 0.27 Allowed 'General case' 0 C--O 1.236 0.371 0 O-C-N 122.213 -0.304 . . . . 100.87 111.016 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . 0.669 ' O ' ' OG ' ' B' ' 55' ' ' SER . 2.0 mttt -128.85 168.6 15.69 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.028 0.918 . . . . 133.52000000000001 110.38 -176.166 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -137.42 144.55 42.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.397 -1.334 . . . . 77.439999999999998 107.397 174.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -139.46 165.33 27.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 64.629999999999995 109.406 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -167.01 132.74 2.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.211 -0.904 . . . . 78.620000000000005 109.906 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 32.5 pt -135.17 137.62 50.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 108.389 -0.967 . . . . 58.689999999999998 108.389 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -122.72 137.05 55.03 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.663 -0.866 . . . . 73.069999999999993 108.663 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -160.68 171.02 19.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 64.060000000000002 109.503 -168.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -120.6 144.85 47.9 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 114.856 -1.065 . . . . 84.359999999999999 108.271 169.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.26 131.54 50.93 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.551 -0.46 . . . . 94.430000000000007 110.388 -176.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.76 -11.92 44.34 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 115.469 0.948 . . . . 59.43 115.469 177.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -98.44 129.57 45.06 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.826 1.313 . . . . 87.200000000000003 109.592 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -77.72 138.48 39.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.054 -0.521 . . . . 64.310000000000002 110.686 -176.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -138.49 165.54 26.58 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.611 -0.722 . . . . 75.560000000000002 109.416 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -99.37 129.16 45.55 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.377 -0.829 . . . . 72.129999999999995 109.383 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -133.45 144.33 49.41 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.24 -0.652 . . . . 58.880000000000003 109.24 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 83.5 m -108.25 115.36 29.98 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.479 -1.304 . . . . 57.68 107.479 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 42.4 p -82.54 165.83 19.79 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 122.062 0.934 . . . . 67.090000000000003 110.907 -169.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.01 -33.62 25.72 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.97 -1.014 . . . . 62.200000000000003 112.571 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -94.85 22.77 6.09 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.925 -0.484 . . . . 60.159999999999997 112.069 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 15.9 t30 58.71 60.49 2.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 122.437 1.113 . . . . 74.530000000000001 110.861 172.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 25.1 mtm105 -113.33 120.89 42.7 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.942 -1.503 . . . . 65.640000000000001 106.942 170.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -87.5 96.22 10.31 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 107.561 -1.274 . . . . 165.12 107.561 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 63.9 p -108.8 170.44 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.909 0.862 . . . . 61.840000000000003 110.477 -172.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -125.1 94.47 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 105.881 -1.896 . . . . 75.180000000000007 105.881 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 14.8 m -100.5 159.61 15.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.072 0.939 . . . . 66.459999999999994 111.747 -167.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.4 mt -138.91 143.37 31.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 107.153 -1.425 . . . . 73.859999999999999 107.153 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 40.8 t -122.34 123.08 67.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 107.609 -1.256 . . . . 66.170000000000002 107.609 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -119.92 164.78 15.54 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.412 0.625 . . . . 68.939999999999998 109.715 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.0 tp -115.15 131.06 57.05 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.321 -0.854 . . . . 84.650000000000006 109.23 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -148.29 109.95 4.46 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.25 -1.019 . . . . 91.799999999999997 108.25 -176.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 57.9 25.76 12.5 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.334 0.494 . . . . 135.81 112.334 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.68 -2.86 73.85 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-O 119.079 -0.845 . . . . 100.63 115.04 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 p -95.17 140.17 30.47 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.462 1.131 . . . . 85.560000000000002 109.181 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.7 tp -100.19 100.69 11.56 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.351 -1.351 . . . . 77.400000000000006 107.351 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -99.22 120.05 38.9 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.226 -0.443 . . . . 86.390000000000001 110.138 -173.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -111.23 135.77 51.28 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.986 -0.746 . . . . 71.370000000000005 108.986 174.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 6.9 p -129.28 126.17 63.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.658 -0.867 . . . . 66.819999999999993 108.658 -179.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -110.1 127.02 54.64 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.932 -0.766 . . . . 65.969999999999999 108.932 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -120.26 134.23 55.3 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.645 -0.502 . . . . 107.78 109.645 -176.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -168.02 148.25 4.94 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.777 -0.824 . . . . 76.609999999999999 108.777 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 t0 52.71 39.78 29.15 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.598 0.713 . . . . 101.41 111.269 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.9 23.33 50.83 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.332 -0.937 . . . . 92.739999999999995 113.597 -175.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -114.75 -173.36 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.514 -0.921 . . . . 109.64 108.514 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -173.71 145.11 1.14 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.185 -0.672 . . . . 67.239999999999995 109.185 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.9 t -144.23 152.38 40.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.096 -1.076 . . . . 59.979999999999997 108.096 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 30.2 p -121.05 145.45 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.817 -0.629 . . . . 69.439999999999998 109.953 -175.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 18.4 mm -130.03 93.65 2.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 105.885 -1.895 . . . . 67.689999999999998 105.885 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -92.5 116.78 29.29 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.523 -0.547 . . . . 104.38 109.523 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ARG . . . . . 0.72 ' NH2' ' O1 ' ' B' ' 201' ' ' PLM . 59.5 mtt85 -109.71 118.62 37.01 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.453 -0.943 . . . . 66.420000000000002 108.453 178.913 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -130.51 155.12 47.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.581 0.705 . . . . 89.180000000000007 110.05 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.74 134.07 39.09 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.98 -1.009 . . . . 63.200000000000003 109.392 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 65.8 t -145.49 106.34 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.933 -0.766 . . . . 73.390000000000001 108.933 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 60.57 52.56 4.5 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.699 0.761 . . . . 78.810000000000002 111.261 174.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.94 -1.18 18.01 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 115.556 0.982 . . . . 70.099999999999994 115.556 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.04 142.47 46.93 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.676 1.238 . . . . 94.689999999999998 109.255 179.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 54.5 ttp -96.88 129.34 44.34 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.933 -0.766 . . . . 61.539999999999999 108.933 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.14 145.68 18.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.595 -0.891 . . . . 82.049999999999997 108.595 177.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -125.93 113.0 16.61 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.265 -1.013 . . . . 64.450000000000003 108.265 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -101.12 114.24 28.01 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.371 -0.974 . . . . 90.810000000000002 108.371 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' CYS . . . . . 0.423 ' SG ' ' H31' ' B' ' 201' ' ' PLM . 1.8 m -107.55 118.14 35.96 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.791 -0.818 . . . . 77.349999999999994 108.791 -179.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -108.21 142.16 38.88 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.613 -0.514 . . . . 102.55 109.613 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' MET . . . . . . . . . . . . . 16.6 tpt -169.74 104.75 0.34 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.004 -0.544 . . . . 67.180000000000007 110.152 178.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.68 57.79 4.55 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 122.015 0.912 . . . . 134.49000000000001 111.043 176.406 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . 69.72 1.42 30.95 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.09 -0.959 . . . . 76.280000000000001 115.227 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.21 138.79 21.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 118.549 1.174 . . . . 75.120000000000005 108.53 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 16.9 t -128.63 106.94 15.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.92 -1.141 . . . . 66.629999999999995 107.92 -175.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.51 151.46 21.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.582 . . . . 68.189999999999998 109.639 170.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 47.1 m -146.04 115.6 7.19 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.133 -1.062 . . . . 68.900000000000006 108.133 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' ARG . . . . . 0.42 ' HE ' ' H22' ' B' ' 201' ' ' PLM . 20.1 mtp85 -124.59 131.98 53.45 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.094 -0.706 . . . . 95.680000000000007 109.094 -178.792 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 23.1 mt -105.54 138.75 29.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 108.15 -1.055 . . . . 83.859999999999999 108.15 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' TYR . . . . . 0.503 ' HB3' ' HB3' ' B' ' 8' ' ' TRP . 56.7 m-85 -128.69 133.7 48.27 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.053 -0.521 . . . . 74.060000000000002 109.88 -172.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -106.7 132.61 52.49 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.325 0.65 . . . . 113.23 110.665 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' B' ' 5' ' ' LEU . 12.4 tptt -63.57 145.99 54.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.368 0.604 . . . . 95.390000000000001 110.017 171.853 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.003 -0.544 . . . . 67.510000000000005 109.556 177.817 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' PLM . . . . . 0.72 ' O1 ' ' NH2' ' B' ' 106' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 112.673 -0.171 . . . . 96.13 112.673 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 42.3 ttp -58.77 125.73 24.7 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.924 0.392 . . . . 68.62 110.802 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.3 t -55.58 133.58 50.47 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.963 -0.562 . . . . 61.37 109.939 174.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -68.18 -8.7 40.99 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.559 0.577 . . . . 63.76 112.559 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.83 -12.18 45.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.476 0.58 . . . . 57.72 112.058 171.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -74.0 -31.61 63.04 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.132 0.424 . . . . 68.17 111.058 170.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' O ' ' NZ ' ' A' ' 130' ' ' LYS . 2.1 mt -65.56 140.94 58.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.215 0.531 . . . . 66.03 110.487 -176.134 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.12 -165.09 25.23 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 109.991 -1.244 . . . . 59.26 109.991 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.6 m -118.52 124.56 47.84 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.017 -1.105 . . . . 70.35 108.017 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 128' ' ' TYR . 24.4 m95 -115.1 137.34 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.801 -0.444 . . . . 65.1 109.801 -176.494 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.93 130.99 57.06 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 107.219 -1.4 . . . . 74.96 107.219 -177.497 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 57.8 tp -66.88 136.89 56.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.063 0.459 . . . . 65.44 110.691 -178.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.8 m -140.08 11.55 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 116.133 -0.485 . . . . 56.55 111.491 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.1 t -177.88 130.32 0.14 Allowed 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.304 -0.247 . . . . 78.21 110.414 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.2 t -135.54 135.72 40.6 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.868 0.366 . . . . 65.72 110.227 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -134.7 132.48 38.91 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.07 -1.085 . . . . 73.98 108.07 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 58.65 16.32 4.27 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 112.919 0.711 . . . . 71.19 112.919 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -67.45 -41.26 85.03 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.393 -0.817 . . . . 65.57 111.085 176.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 17' ' ' ASP . 12.8 p-10 -51.3 -45.4 62.16 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.779 0.323 . . . . 73.65 111.193 175.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -75.51 -31.81 60.3 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.201 -0.6 . . . . 73.71 111.818 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -60.2 -52.7 64.17 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.125 0.488 . . . . 62.43 110.435 174.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -60.07 3.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.118 0.485 . . . . 54.53 110.948 176.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -53.3 -30.44 38.87 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.901 0.334 . . . . 72.7 111.901 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.83 -8.63 58.98 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.422 0.897 . . . . 56.03 113.422 -174.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -96.64 -17.68 20.22 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.49 0.922 . . . . 62.74 113.49 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.5 24.55 10.04 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-O 119.275 -0.736 . . . . 90.17 113.137 -172.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.2 t -72.55 131.58 34.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 118.115 0.958 . . . . 66.02 109.156 -176.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.0 145.5 6.91 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 116.173 -0.467 . . . . 71.23 112.675 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' H ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -67.89 -17.92 64.63 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.636 -0.426 . . . . 62.66 111.905 -176.168 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.39 -45.96 21.09 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.663 -0.415 . . . . 65.57 110.702 170.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . 0.642 ' OG1' ' OE2' ' B' ' 14' ' ' GLU . 2.6 m -68.62 -14.41 62.99 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 111.943 0.349 . . . . 63.01 111.943 178.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.67 -60.49 2.29 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.899 0.318 . . . . 64.44 111.575 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -50.14 -39.65 43.92 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.744 -0.383 . . . . 125.52 111.96 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -16.79 59.96 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.733 0.642 . . . . 78.74 112.733 -177.581 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.13 -28.13 26.34 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.882 -0.675 . . . . 61.29 112.3 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -70.24 -17.13 63.12 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.101 0.408 . . . . 80.02 112.101 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mt -102.86 -12.43 17.55 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.201 0.815 . . . . 67.73 113.201 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.81 138.07 38.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.398 0.545 . . . . 72.7 111.288 -176.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 77.0 52.2 Favored Pre-proline 0 C--O 1.242 0.678 0 N-CA-C 107.015 -1.476 . . . . 61.27 107.015 175.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.39 156.22 67.1 Favored 'Trans proline' 0 C--N 1.332 -0.308 0 CA-C-O 122.306 0.878 . . . . 62.17 112.881 -170.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.52 131.27 52.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.488 -1.233 . . . . 66.46 108.351 171.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -115.24 131.09 68.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.49 -0.93 . . . . 59.07 108.49 -173.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.75 119.09 56.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 107.75 -1.204 . . . . 110.62 107.75 -176.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.7 mt -107.84 111.44 35.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.065 -1.087 . . . . 54.46 108.065 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.0 p -113.48 170.76 8.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.708 0.766 . . . . 60.2 109.717 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -144.63 150.91 38.19 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.445 -0.798 . . . . 98.01 109.185 176.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -148.54 68.47 1.08 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 122.801 1.286 . . . . 108.06 107.892 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.73 -100.7 2.5 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.388 -0.824 . . . . 94.97 112.108 -178.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -119.64 9.1 11.35 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 117.355 0.577 . . . . 98.12 111.742 173.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.79 127.61 53.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 108.156 -1.053 . . . . 70.72 108.156 177.891 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.7 mt -108.4 133.37 53.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 108.171 -1.048 . . . . 61.28 108.171 -179.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.19 129.22 54.01 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.027 -0.731 . . . . 75.88 109.027 -179.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.9 mt -117.71 108.21 24.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 106.498 -1.667 . . . . 67.19 106.498 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 61' ' ' GLU . 48.0 ttt85 -99.15 140.54 33.17 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.021 -0.733 . . . . 62.21 109.021 178.241 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.73 104.86 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 106.746 -1.576 . . . . 60.58 106.746 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -103.19 119.66 39.28 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.095 -0.705 . . . . 67.86 109.095 -176.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -129.12 157.88 40.52 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.835 -0.802 . . . . 81.31 108.835 173.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.1 m -57.86 -53.96 52.3 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.685 0.755 . . . . 70.02 109.159 166.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -51.2 -71.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.821 1.248 . . . . 105.96 113.314 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 75' ' ' ALA . 39.2 tttt -132.18 170.86 14.41 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.875 0.845 . . . . 86.99 111.017 -173.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -136.59 145.57 45.1 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.041 -0.981 . . . . 66.07 109.305 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.5 p -139.94 165.98 25.88 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.38 -0.97 . . . . 54.09 108.38 175.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' OE1' ' NH1' ' A' ' 52' ' ' ARG . 43.1 tt0 -167.61 135.4 2.38 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.204 -0.665 . . . . 63.13 109.204 179.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 30.1 pt -133.54 138.01 51.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.526 -0.916 . . . . 57.31 108.526 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -122.78 136.06 54.75 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.719 -1.215 . . . . 64.78 107.719 174.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -161.07 168.24 24.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.858 0.837 . . . . 56.51 110.296 -170.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -121.98 143.84 49.24 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.457 -1.247 . . . . 73.46 108.194 170.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.7 mt -59.24 132.43 53.99 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.025 0.441 . . . . 66.1 110.874 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.12 -11.62 48.16 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 115.326 0.891 . . . . 68.59 115.326 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -98.86 130.37 45.27 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.603 1.201 . . . . 81.0 109.886 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -77.0 138.76 39.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 85.04 110.219 -177.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -136.72 167.86 20.63 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.33 -0.989 . . . . 61.76 108.33 179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -96.71 133.19 41.56 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.844 -0.798 . . . . 92.41 108.844 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -128.1 138.64 52.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.868 -0.419 . . . . 57.75 109.868 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.1 m -111.79 113.72 26.25 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 106.64 -1.615 . . . . 50.82 106.64 172.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.2 p -82.85 165.82 19.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 122.083 0.944 . . . . 68.6 110.901 -167.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . . . -51.56 -34.31 36.16 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.923 -1.035 . . . . 59.4 111.679 179.019 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -96.93 23.82 6.8 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.311 0.644 . . . . 68.74 112.403 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.3 t30 59.2 63.06 1.67 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.404 0.621 . . . . 75.62 111.543 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -117.49 122.93 45.06 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.476 -0.935 . . . . 59.94 108.476 169.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -85.67 95.13 9.27 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 106.727 -1.583 . . . . 95.91 106.727 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -108.07 170.36 8.05 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 122.008 0.909 . . . . 70.09 110.48 -171.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -125.86 92.73 3.65 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 106.145 -1.798 . . . . 98.18 106.145 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.21 158.79 15.77 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.865 0.84 . . . . 48.86 111.148 -165.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.8 mt -140.53 145.43 25.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 107.447 -1.316 . . . . 66.88 107.447 174.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.2 t -121.75 122.17 66.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 108.061 -1.089 . . . . 53.95 108.061 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.0 p -120.78 164.16 17.02 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.442 0.639 . . . . 67.02 109.543 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 tp -115.91 131.53 56.91 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.897 -0.779 . . . . 55.83 108.897 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -148.12 112.24 5.19 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.458 -0.941 . . . . 76.23 108.458 -176.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 56.29 29.03 14.24 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.274 0.359 . . . . 103.91 111.311 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.13 84.83 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-O 119.084 -0.842 . . . . 74.92 114.894 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.7 m -93.79 139.88 30.33 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.452 1.126 . . . . 72.78 110.031 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -100.31 99.58 10.26 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 107.378 -1.342 . . . . 56.84 107.378 -178.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -99.28 120.55 39.74 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.689 -0.486 . . . . 70.65 109.689 -173.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -110.24 135.85 50.35 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.034 -0.728 . . . . 55.92 109.034 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.2 p -128.45 125.34 63.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.092 -1.077 . . . . 49.32 108.092 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -111.12 127.16 55.48 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.092 -0.707 . . . . 54.46 109.092 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 -120.96 135.17 55.27 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.895 0.478 . . . . 86.79 110.144 -177.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -167.47 147.02 5.1 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.318 -0.623 . . . . 72.57 109.318 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 50.85 41.27 26.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.666 -0.697 . . . . 102.79 111.177 173.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.23 23.89 58.15 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.364 -0.922 . . . . 67.74 113.83 -175.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -114.07 -176.61 2.94 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.35 -0.982 . . . . 73.67 108.35 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -175.3 143.12 0.64 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.343 -0.543 . . . . 83.69 110.938 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 118' ' ' LYS . 8.8 t -146.82 153.33 40.06 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.091 -0.707 . . . . 58.97 109.091 174.321 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 p -120.07 145.32 46.98 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.017 -0.538 . . . . 69.44 109.871 -177.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.7 mt -130.14 97.21 3.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.32 -1.733 . . . . 58.39 106.32 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -90.95 118.59 30.46 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.398 -0.964 . . . . 73.72 108.398 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -106.66 108.46 19.98 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.153 -1.055 . . . . 67.75 108.153 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -111.03 161.23 16.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.361 0.664 . . . . 68.94 109.868 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.4 mt -108.61 135.02 50.55 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.287 -0.869 . . . . 66.8 109.193 174.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.7 t -142.93 105.54 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 107.729 -1.211 . . . . 66.79 107.729 -176.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.3 m120 59.22 52.07 6.4 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.723 0.773 . . . . 67.19 110.727 175.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.28 -0.76 22.76 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-O 119.075 -0.847 . . . . 71.0 115.028 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -117.73 145.05 44.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.426 1.113 . . . . 74.72 109.473 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 54.4 ttp -94.51 131.29 40.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.75 -0.659 . . . . 60.13 110.581 -177.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.78 145.53 17.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 107.674 -1.232 . . . . 62.09 107.674 176.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.42 113.7 17.2 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.198 -0.667 . . . . 52.75 109.198 -177.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -101.05 112.68 25.21 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 108.451 -0.944 . . . . 85.02 108.451 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.9 m -108.12 117.84 35.18 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.667 -0.864 . . . . 71.91 108.667 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' O ' ' OG1' ' A' ' 102' ' ' THR . 45.2 mttt -108.84 144.76 36.3 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.065 0.546 . . . . 85.76 110.19 179.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 16.3 tpt -167.83 100.99 0.47 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.017 -0.538 . . . . 79.67 110.341 175.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 52.65 59.67 4.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.154 0.978 . . . . 84.61 110.71 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 72.71 2.85 57.59 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 115.785 1.074 . . . . 70.34 115.785 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -96.59 137.62 23.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 118.966 1.383 . . . . 62.94 107.978 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.8 t -129.15 104.65 11.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.554 -1.276 . . . . 66.13 107.554 -175.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.46 153.96 19.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.228 0.537 . . . . 54.43 109.891 170.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 56.4 m -144.17 115.71 8.12 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.702 -0.851 . . . . 69.17 108.702 -178.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -124.78 130.32 52.18 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.297 -0.631 . . . . 65.11 109.297 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.4 mt -107.35 140.35 25.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 N-CA-C 108.656 -0.868 . . . . 70.53 108.656 -178.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' TYR . . . . . 0.5 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 58.5 m-85 -128.38 132.9 48.54 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.589 -0.523 . . . . 49.56 109.589 -173.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -105.8 132.07 52.37 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.039 -0.726 . . . . 78.35 109.039 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LYS . . . . . 0.48 ' NZ ' ' O ' ' A' ' 5' ' ' LEU . 1.7 tppt? -63.17 142.67 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.285 -0.566 . . . . 72.8 109.839 173.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 23.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.549 . . . . 86.81 110.259 178.169 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.414 0 N-CA-C 112.471 -0.252 . . . . 77.7 112.471 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 42.5 ttp -57.64 126.18 26.23 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.866 -0.42 . . . . 65.98 109.866 -178.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 46.7 t -53.34 134.15 39.88 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.07 -0.514 . . . . 61.82 110.339 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -66.64 -10.91 50.97 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.756 -0.657 . . . . 72.18 112.48 179.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.2 -13.59 62.11 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.368 0.531 . . . . 80.19 112.425 171.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -74.73 -33.45 62.37 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.396 0.544 . . . . 61.05 111.997 174.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . 0.547 ' O ' ' NZ ' ' B' ' 130' ' ' LYS . 28.9 mt -66.83 140.79 57.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.137 0.494 . . . . 66.9 110.328 -176.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.93 -165.9 25.27 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.917 -0.873 . . . . 70.89 110.917 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 86.6 m -118.73 125.06 48.81 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.477 -0.935 . . . . 63.32 108.477 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' TRP . . . . . 0.52 ' HB3' ' HB3' ' B' ' 128' ' ' TYR . 18.8 m95 -115.84 138.57 51.03 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.271 0.357 . . . . 61.54 110.287 -175.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . 0.581 ' NZ ' ' O ' ' B' ' 37' ' ' LYS . 43.1 tptt -114.37 132.44 56.21 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.363 -0.606 . . . . 74.21 109.363 -178.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.0 137.94 55.49 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.083 0.468 . . . . 70.16 110.442 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -139.87 11.66 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 115.994 -0.548 . . . . 81.47 110.272 -176.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.0 t -178.37 130.68 0.13 Allowed 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.247 -0.279 . . . . 79.41 110.247 178.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 13.0 t -133.49 134.64 43.73 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.839 -0.8 . . . . 75.22 108.839 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . 0.642 ' OE2' ' OG1' ' A' ' 29' ' ' THR . 5.9 tt0 -135.68 132.61 37.18 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.543 -0.54 . . . . 74.11 109.543 -176.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 m120 56.42 16.59 2.51 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.353 0.408 . . . . 71.77 111.965 174.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -66.24 -41.63 89.73 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.539 -0.464 . . . . 72.75 110.696 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 14.5 p-10 -51.77 -43.8 63.14 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.688 0.28 . . . . 76.12 111.137 173.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.77 -31.73 63.45 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 111.867 0.321 . . . . 73.9 111.867 -177.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -61.08 -55.52 31.7 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.913 0.387 . . . . 70.1 111.024 176.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 52.5 mtm -53.45 -45.63 69.57 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.932 0.396 . . . . 58.97 110.998 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -55.82 -25.25 40.82 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 112.159 0.429 . . . . 79.29 112.159 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.69 -8.93 51.29 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.014 0.746 . . . . 58.77 113.014 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -96.31 -16.72 21.17 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.991 0.737 . . . . 49.88 112.991 177.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.6 24.06 9.65 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-O 119.284 -0.731 . . . . 70.46 113.804 -173.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' VAL . . . . . 0.416 HG13 ' HB ' ' B' ' 29' ' ' THR . 11.8 t -73.51 127.61 35.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 118.151 0.975 . . . . 62.47 109.368 -178.043 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.34 159.84 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.794 -0.522 . . . . 64.37 111.794 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.26 -76.38 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-N 117.572 0.686 . . . . 74.07 111.523 -178.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.69 -41.73 4.93 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.306 0.642 . . . . 71.55 112.533 -177.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . 0.416 ' HB ' HG13 ' B' ' 25' ' ' VAL . 3.0 m -65.67 -17.56 64.69 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 112.555 0.576 . . . . 77.93 112.555 -178.047 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -76.25 -56.75 4.36 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 118.549 0.613 . . . . 77.77 109.64 171.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -47.78 -42.3 25.48 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.961 -0.563 . . . . 73.99 111.025 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.27 -20.45 57.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.423 0.527 . . . . 81.5 112.423 -178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.82 -28.95 17.03 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.909 -0.876 . . . . 67.25 110.909 174.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -71.12 -17.98 62.54 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.031 0.382 . . . . 88.67 112.031 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.62 -9.84 20.58 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.208 0.603 . . . . 65.98 112.545 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.86 153.65 34.57 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.713 0.768 . . . . 83.73 110.838 -176.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LYS . . . . . 0.581 ' O ' ' NZ ' ' B' ' 9' ' ' LYS . 42.9 mttm -132.47 67.49 78.6 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 107.902 -1.147 . . . . 117.67 107.902 175.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.08 153.79 55.8 Favored 'Trans proline' 0 CA--C 1.518 -0.313 0 CA-C-O 121.774 0.656 . . . . 67.88 112.114 -172.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.8 p -106.33 132.71 52.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.481 -1.304 . . . . 56.41 107.481 170.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 53.4 t -113.19 130.87 66.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 108.359 -0.978 . . . . 54.94 108.359 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.74 119.49 58.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 107.368 -1.345 . . . . 52.08 107.368 -177.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 mt -106.44 111.97 37.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 106.789 -1.56 . . . . 67.82 106.789 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.33 172.18 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.771 . . . . 71.67 109.723 -178.418 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -144.37 151.57 39.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.274 -0.875 . . . . 84.65 109.417 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.34 63.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.359 1.076 . . . . 125.33 108.136 -179.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.61 -98.06 2.35 Favored Glycine 0 N--CA 1.449 -0.492 0 O-C-N 121.188 -0.945 . . . . 89.89 111.582 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -117.13 7.58 13.07 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.224 0.453 . . . . 91.38 112.224 174.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.69 128.61 55.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 108.267 -1.012 . . . . 71.2 108.267 176.103 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 28.3 mt -108.69 133.45 53.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 107.966 -1.124 . . . . 73.11 107.966 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.3 m -120.39 129.05 53.76 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.736 -0.468 . . . . 58.23 109.736 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 86.9 mt -119.3 108.09 22.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.798 -1.186 . . . . 70.2 107.798 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -100.95 141.4 33.89 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.919 0.488 . . . . 57.49 110.187 176.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -122.0 107.38 12.16 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.838 -1.171 . . . . 50.56 107.838 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -102.63 116.47 32.66 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.795 -0.446 . . . . 57.3 109.795 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' SER . . . . . 0.655 ' OG ' ' O ' ' B' ' 58' ' ' LYS . 95.2 p -132.47 160.84 35.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.654 -0.869 . . . . 61.81 108.654 172.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.6 m -58.79 -57.35 13.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.821 -0.627 . . . . 95.95 110.804 171.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -51.84 -67.2 0.27 Allowed 'General case' 0 C--O 1.236 0.371 0 O-C-N 122.213 -0.304 . . . . 84.06 111.016 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . 0.655 ' O ' ' OG ' ' B' ' 55' ' ' SER . 2.0 mttt -128.85 168.6 15.69 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.028 0.918 . . . . 111.27 110.38 -176.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -137.42 144.55 42.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.397 -1.334 . . . . 64.97 107.397 174.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -139.46 165.33 27.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 53.86 109.406 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -167.01 132.74 2.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.211 -0.904 . . . . 78.62 109.906 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 32.5 pt -135.17 137.62 50.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 108.389 -0.967 . . . . 48.91 108.389 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -122.72 137.05 55.03 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.663 -0.866 . . . . 60.89 108.663 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -160.68 171.02 19.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 59.01 109.503 -168.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -120.6 144.85 47.9 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 114.856 -1.065 . . . . 70.3 108.271 169.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.26 131.54 50.93 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.551 -0.46 . . . . 78.69 110.388 -176.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.76 -11.92 44.34 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 115.469 0.948 . . . . 52.86 115.469 177.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -98.44 129.57 45.06 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.826 1.313 . . . . 72.67 109.592 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -77.72 138.48 39.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.054 -0.521 . . . . 59.39 110.686 -176.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -138.49 165.54 26.58 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.611 -0.722 . . . . 62.96 109.416 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -99.37 129.16 45.55 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.377 -0.829 . . . . 70.5 109.383 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -133.45 144.33 49.41 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.24 -0.652 . . . . 52.23 109.24 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 83.5 m -108.25 115.36 29.98 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.479 -1.304 . . . . 57.48 107.479 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 42.4 p -82.54 165.83 19.79 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 122.062 0.934 . . . . 55.91 110.907 -169.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.01 -33.62 25.72 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.97 -1.014 . . . . 55.45 112.571 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -94.85 22.77 6.09 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.925 -0.484 . . . . 50.14 112.069 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 15.9 t30 58.71 60.49 2.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 122.437 1.113 . . . . 62.11 110.861 172.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 25.1 mtm105 -113.33 120.89 42.7 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.942 -1.503 . . . . 54.7 106.942 170.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -87.5 96.22 10.31 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 107.561 -1.274 . . . . 137.6 107.561 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 63.9 p -108.8 170.44 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.909 0.862 . . . . 55.15 110.477 -172.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -125.1 94.47 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 105.881 -1.896 . . . . 67.78 105.881 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 14.8 m -100.5 159.61 15.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.072 0.939 . . . . 55.38 111.747 -167.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.4 mt -138.91 143.37 31.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 107.153 -1.425 . . . . 61.55 107.153 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 40.8 t -122.34 123.08 67.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 107.609 -1.256 . . . . 55.14 107.609 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -119.92 164.78 15.54 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.412 0.625 . . . . 67.27 109.715 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.0 tp -115.15 131.06 57.05 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.321 -0.854 . . . . 70.54 109.23 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -148.29 109.95 4.46 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.25 -1.019 . . . . 90.24 108.25 -176.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 57.9 25.76 12.5 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.334 0.494 . . . . 113.17 112.334 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.68 -2.86 73.85 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-O 119.079 -0.845 . . . . 83.86 115.04 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 p -95.17 140.17 30.47 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.462 1.131 . . . . 71.3 109.181 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.7 tp -100.19 100.69 11.56 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.351 -1.351 . . . . 64.5 107.351 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -99.22 120.05 38.9 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.226 -0.443 . . . . 72.66 110.138 -173.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -111.23 135.77 51.28 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.986 -0.746 . . . . 59.47 108.986 174.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 6.9 p -129.28 126.17 63.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.658 -0.867 . . . . 55.69 108.658 -179.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -110.1 127.02 54.64 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.932 -0.766 . . . . 54.97 108.932 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -120.26 134.23 55.3 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.645 -0.502 . . . . 89.81 109.645 -176.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -168.02 148.25 4.94 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.777 -0.824 . . . . 72.37 108.777 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 t0 52.71 39.78 29.15 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.598 0.713 . . . . 101.41 111.269 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.9 23.33 50.83 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.332 -0.937 . . . . 77.28 113.597 -175.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -114.75 -173.36 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.514 -0.921 . . . . 91.37 108.514 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -173.71 145.11 1.14 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.185 -0.672 . . . . 63.93 109.185 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.9 t -144.23 152.38 40.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.096 -1.076 . . . . 53.79 108.096 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 30.2 p -121.05 145.45 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.817 -0.629 . . . . 57.87 109.953 -175.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 18.4 mm -130.03 93.65 2.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 105.885 -1.895 . . . . 56.41 105.885 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -92.5 116.78 29.29 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.523 -0.547 . . . . 86.99 109.523 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ARG . . . . . 0.72 ' NH2' ' O1 ' ' B' ' 201' ' ' PLM . 59.5 mtt85 -109.71 118.62 37.01 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.453 -0.943 . . . . 65.15 108.453 178.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -130.51 155.12 47.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.581 0.705 . . . . 74.32 110.05 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.74 134.07 39.09 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.98 -1.009 . . . . 52.67 109.392 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 65.8 t -145.49 106.34 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.933 -0.766 . . . . 61.16 108.933 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 60.57 52.56 4.5 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.699 0.761 . . . . 67.04 111.261 174.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.94 -1.18 18.01 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 115.556 0.982 . . . . 65.75 115.556 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.04 142.47 46.93 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.676 1.238 . . . . 78.91 109.255 179.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 54.5 ttp -96.88 129.34 44.34 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.933 -0.766 . . . . 56.74 108.933 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.14 145.68 18.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.595 -0.891 . . . . 68.37 108.595 177.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -125.93 113.0 16.61 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.265 -1.013 . . . . 58.71 108.265 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -101.12 114.24 28.01 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.371 -0.974 . . . . 79.54 108.371 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' CYS . . . . . . . . . . . . . 1.8 m -107.55 118.14 35.96 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.791 -0.818 . . . . 64.46 108.791 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -108.21 142.16 38.88 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.613 -0.514 . . . . 85.46 109.613 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' MET . . . . . . . . . . . . . 16.6 tpt -169.74 104.75 0.34 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.004 -0.544 . . . . 58.33 110.152 178.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.68 57.79 4.55 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 122.015 0.912 . . . . 112.08 111.043 176.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . 69.72 1.42 30.95 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.09 -0.959 . . . . 63.56 115.227 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.21 138.79 21.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 118.549 1.174 . . . . 62.6 108.53 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 16.9 t -128.63 106.94 15.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.92 -1.141 . . . . 55.52 107.92 -175.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.51 151.46 21.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.582 . . . . 56.82 109.639 170.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 47.1 m -146.04 115.6 7.19 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.133 -1.062 . . . . 57.42 108.133 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -124.59 131.98 53.45 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.094 -0.706 . . . . 79.73 109.094 -178.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 23.1 mt -105.54 138.75 29.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 108.15 -1.055 . . . . 69.89 108.15 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' TYR . . . . . 0.52 ' HB3' ' HB3' ' B' ' 8' ' ' TRP . 56.7 m-85 -128.69 133.7 48.27 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.053 -0.521 . . . . 61.72 109.88 -172.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -106.7 132.61 52.49 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.325 0.65 . . . . 113.23 110.665 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' B' ' 5' ' ' LEU . 12.4 tptt -63.57 145.99 54.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.368 0.604 . . . . 79.49 110.017 171.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.003 -0.544 . . . . 65.58 109.556 177.817 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' PLM . . . . . 0.72 ' O1 ' ' NH2' ' B' ' 106' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 112.673 -0.171 . . . . 96.13 112.673 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 42.3 ttp -58.77 125.73 24.7 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.924 0.392 . . . . 68.62 110.802 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.3 t -55.58 133.58 50.47 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.963 -0.562 . . . . 61.37 109.939 174.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -68.18 -8.7 40.99 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.559 0.577 . . . . 63.76 112.559 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.83 -12.18 45.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.476 0.58 . . . . 57.72 112.058 171.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -74.0 -31.61 63.04 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.132 0.424 . . . . 68.17 111.058 170.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' O ' ' NZ ' ' A' ' 130' ' ' LYS . 2.1 mt -65.56 140.94 58.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.215 0.531 . . . . 66.03 110.487 -176.134 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.12 -165.09 25.23 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 109.991 -1.244 . . . . 59.26 109.991 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.6 m -118.52 124.56 47.84 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.017 -1.105 . . . . 70.35 108.017 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 128' ' ' TYR . 24.4 m95 -115.1 137.34 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.801 -0.444 . . . . 65.1 109.801 -176.494 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.93 130.99 57.06 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 107.219 -1.4 . . . . 74.96 107.219 -177.497 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 57.8 tp -66.88 136.89 56.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.063 0.459 . . . . 65.44 110.691 -178.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.8 m -140.08 11.55 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 116.133 -0.485 . . . . 56.55 111.491 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.1 t -177.88 130.32 0.14 Allowed 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.304 -0.247 . . . . 78.21 110.414 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.2 t -135.54 135.72 40.6 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.868 0.366 . . . . 65.72 110.227 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -134.7 132.48 38.91 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.07 -1.085 . . . . 73.98 108.07 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 58.65 16.32 4.27 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 112.919 0.711 . . . . 71.19 112.919 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -67.45 -41.26 85.03 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.393 -0.817 . . . . 65.57 111.085 176.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 17' ' ' ASP . 12.8 p-10 -51.3 -45.4 62.16 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.779 0.323 . . . . 73.65 111.193 175.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -75.51 -31.81 60.3 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.201 -0.6 . . . . 73.71 111.818 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -60.2 -52.7 64.17 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.125 0.488 . . . . 62.43 110.435 174.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -60.07 3.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.118 0.485 . . . . 54.53 110.948 176.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -53.3 -30.44 38.87 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.901 0.334 . . . . 72.7 111.901 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.83 -8.63 58.98 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.422 0.897 . . . . 56.03 113.422 -174.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -96.64 -17.68 20.22 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.49 0.922 . . . . 62.74 113.49 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.5 24.55 10.04 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-O 119.275 -0.736 . . . . 90.17 113.137 -172.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.2 t -72.55 131.58 34.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 118.115 0.958 . . . . 66.02 109.156 -176.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.0 145.5 6.91 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 116.173 -0.467 . . . . 71.23 112.675 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' H ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -67.89 -17.92 64.63 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.636 -0.426 . . . . 62.66 111.905 -176.168 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.39 -45.96 21.09 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.663 -0.415 . . . . 65.57 110.702 170.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . 0.642 ' OG1' ' OE2' ' B' ' 14' ' ' GLU . 2.6 m -68.62 -14.41 62.99 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 111.943 0.349 . . . . 63.01 111.943 178.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.67 -60.49 2.29 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.899 0.318 . . . . 64.44 111.575 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -50.14 -39.65 43.92 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.744 -0.383 . . . . 125.52 111.96 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -16.79 59.96 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.733 0.642 . . . . 78.74 112.733 -177.581 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.13 -28.13 26.34 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.882 -0.675 . . . . 61.29 112.3 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -70.24 -17.13 63.12 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.101 0.408 . . . . 80.02 112.101 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mt -102.86 -12.43 17.55 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.201 0.815 . . . . 67.73 113.201 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.81 138.07 38.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.398 0.545 . . . . 72.7 111.288 -176.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 77.0 52.2 Favored Pre-proline 0 C--O 1.242 0.678 0 N-CA-C 107.015 -1.476 . . . . 61.27 107.015 175.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.39 156.22 67.1 Favored 'Trans proline' 0 C--N 1.332 -0.308 0 CA-C-O 122.306 0.878 . . . . 62.17 112.881 -170.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.52 131.27 52.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.488 -1.233 . . . . 66.46 108.351 171.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -115.24 131.09 68.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.49 -0.93 . . . . 59.07 108.49 -173.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.75 119.09 56.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 107.75 -1.204 . . . . 110.62 107.75 -176.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.7 mt -107.84 111.44 35.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.065 -1.087 . . . . 54.46 108.065 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.0 p -113.48 170.76 8.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.708 0.766 . . . . 60.2 109.717 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -144.63 150.91 38.19 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.445 -0.798 . . . . 98.01 109.185 176.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -148.54 68.47 1.08 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 122.801 1.286 . . . . 108.06 107.892 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.73 -100.7 2.5 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.388 -0.824 . . . . 94.97 112.108 -178.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -119.64 9.1 11.35 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 117.355 0.577 . . . . 98.12 111.742 173.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.79 127.61 53.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 108.156 -1.053 . . . . 70.72 108.156 177.891 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.7 mt -108.4 133.37 53.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 108.171 -1.048 . . . . 61.28 108.171 -179.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.19 129.22 54.01 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.027 -0.731 . . . . 75.88 109.027 -179.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.9 mt -117.71 108.21 24.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 106.498 -1.667 . . . . 67.19 106.498 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 61' ' ' GLU . 48.0 ttt85 -99.15 140.54 33.17 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.021 -0.733 . . . . 62.21 109.021 178.241 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.73 104.86 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 106.746 -1.576 . . . . 60.58 106.746 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -103.19 119.66 39.28 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.095 -0.705 . . . . 67.86 109.095 -176.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -129.12 157.88 40.52 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.835 -0.802 . . . . 81.31 108.835 173.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.1 m -57.86 -53.96 52.3 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.685 0.755 . . . . 70.02 109.159 166.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -51.2 -71.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.821 1.248 . . . . 105.96 113.314 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 75' ' ' ALA . 39.2 tttt -132.18 170.86 14.41 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.875 0.845 . . . . 86.99 111.017 -173.536 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -136.59 145.57 45.1 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.041 -0.981 . . . . 66.07 109.305 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.5 p -139.94 165.98 25.88 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.38 -0.97 . . . . 54.09 108.38 175.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' OE1' ' NH1' ' A' ' 52' ' ' ARG . 43.1 tt0 -167.61 135.4 2.38 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.204 -0.665 . . . . 63.13 109.204 179.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 30.1 pt -133.54 138.01 51.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.526 -0.916 . . . . 57.31 108.526 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -122.78 136.06 54.75 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.719 -1.215 . . . . 64.78 107.719 174.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -161.07 168.24 24.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.858 0.837 . . . . 56.51 110.296 -170.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -121.98 143.84 49.24 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.457 -1.247 . . . . 73.46 108.194 170.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.7 mt -59.24 132.43 53.99 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.025 0.441 . . . . 66.1 110.874 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.12 -11.62 48.16 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 115.326 0.891 . . . . 68.59 115.326 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -98.86 130.37 45.27 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.603 1.201 . . . . 81.0 109.886 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -77.0 138.76 39.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 85.04 110.219 -177.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -136.72 167.86 20.63 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.33 -0.989 . . . . 61.76 108.33 179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -96.71 133.19 41.56 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.844 -0.798 . . . . 92.41 108.844 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -128.1 138.64 52.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.868 -0.419 . . . . 57.75 109.868 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.1 m -111.79 113.72 26.25 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 106.64 -1.615 . . . . 50.82 106.64 172.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.2 p -82.85 165.82 19.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 122.083 0.944 . . . . 68.6 110.901 -167.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 58' ' ' LYS . . . -51.56 -34.31 36.16 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.923 -1.035 . . . . 59.4 111.679 179.019 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -96.93 23.82 6.8 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.311 0.644 . . . . 68.74 112.403 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.3 t30 59.2 63.06 1.67 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.404 0.621 . . . . 75.62 111.543 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -117.49 122.93 45.06 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.476 -0.935 . . . . 59.94 108.476 169.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -85.67 95.13 9.27 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 106.727 -1.583 . . . . 95.91 106.727 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -108.07 170.36 8.05 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 122.008 0.909 . . . . 70.09 110.48 -171.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -125.86 92.73 3.65 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 106.145 -1.798 . . . . 98.18 106.145 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.21 158.79 15.77 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.865 0.84 . . . . 48.86 111.148 -165.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.8 mt -140.53 145.43 25.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 107.447 -1.316 . . . . 66.88 107.447 174.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.2 t -121.75 122.17 66.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 108.061 -1.089 . . . . 53.95 108.061 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.0 p -120.78 164.16 17.02 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.442 0.639 . . . . 67.02 109.543 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 tp -115.91 131.53 56.91 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.897 -0.779 . . . . 55.83 108.897 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -148.12 112.24 5.19 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.458 -0.941 . . . . 76.23 108.458 -176.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 56.29 29.03 14.24 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.274 0.359 . . . . 103.91 111.311 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.13 84.83 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-O 119.084 -0.842 . . . . 74.92 114.894 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.7 m -93.79 139.88 30.33 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.452 1.126 . . . . 72.78 110.031 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -100.31 99.58 10.26 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 107.378 -1.342 . . . . 56.84 107.378 -178.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -99.28 120.55 39.74 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.689 -0.486 . . . . 70.65 109.689 -173.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -110.24 135.85 50.35 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.034 -0.728 . . . . 55.92 109.034 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.2 p -128.45 125.34 63.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.092 -1.077 . . . . 49.32 108.092 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -111.12 127.16 55.48 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.092 -0.707 . . . . 54.46 109.092 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 -120.96 135.17 55.27 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.895 0.478 . . . . 86.79 110.144 -177.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -167.47 147.02 5.1 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.318 -0.623 . . . . 72.57 109.318 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 50.85 41.27 26.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.666 -0.697 . . . . 102.79 111.177 173.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.23 23.89 58.15 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.364 -0.922 . . . . 67.74 113.83 -175.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -114.07 -176.61 2.94 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.35 -0.982 . . . . 73.67 108.35 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -175.3 143.12 0.64 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.343 -0.543 . . . . 83.69 110.938 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 118' ' ' LYS . 8.8 t -146.82 153.33 40.06 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.091 -0.707 . . . . 58.97 109.091 174.321 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 p -120.07 145.32 46.98 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.017 -0.538 . . . . 69.44 109.871 -177.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.7 mt -130.14 97.21 3.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.32 -1.733 . . . . 58.39 106.32 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -90.95 118.59 30.46 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.398 -0.964 . . . . 73.72 108.398 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -106.66 108.46 19.98 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.153 -1.055 . . . . 67.75 108.153 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -111.03 161.23 16.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.361 0.664 . . . . 68.94 109.868 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.4 mt -108.61 135.02 50.55 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.287 -0.869 . . . . 66.8 109.193 174.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.7 t -142.93 105.54 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 107.729 -1.211 . . . . 66.79 107.729 -176.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.3 m120 59.22 52.07 6.4 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.723 0.773 . . . . 67.19 110.727 175.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.28 -0.76 22.76 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-O 119.075 -0.847 . . . . 71.0 115.028 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -117.73 145.05 44.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.426 1.113 . . . . 74.72 109.473 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 54.4 ttp -94.51 131.29 40.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.75 -0.659 . . . . 60.13 110.581 -177.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.78 145.53 17.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 107.674 -1.232 . . . . 62.09 107.674 176.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.42 113.7 17.2 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.198 -0.667 . . . . 52.75 109.198 -177.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -101.05 112.68 25.21 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 108.451 -0.944 . . . . 85.02 108.451 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.9 m -108.12 117.84 35.18 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.667 -0.864 . . . . 71.91 108.667 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' O ' ' OG1' ' A' ' 102' ' ' THR . 45.2 mttt -108.84 144.76 36.3 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.065 0.546 . . . . 85.76 110.19 179.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 16.3 tpt -167.83 100.99 0.47 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.017 -0.538 . . . . 79.67 110.341 175.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 52.65 59.67 4.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.154 0.978 . . . . 84.61 110.71 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 72.71 2.85 57.59 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 115.785 1.074 . . . . 70.34 115.785 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -96.59 137.62 23.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 118.966 1.383 . . . . 62.94 107.978 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.8 t -129.15 104.65 11.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.554 -1.276 . . . . 66.13 107.554 -175.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.46 153.96 19.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.228 0.537 . . . . 54.43 109.891 170.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 56.4 m -144.17 115.71 8.12 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.702 -0.851 . . . . 69.17 108.702 -178.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -124.78 130.32 52.18 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.297 -0.631 . . . . 65.11 109.297 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.4 mt -107.35 140.35 25.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 N-CA-C 108.656 -0.868 . . . . 70.53 108.656 -178.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.5 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 58.5 m-85 -128.38 132.9 48.54 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.589 -0.523 . . . . 49.56 109.589 -173.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -105.8 132.07 52.37 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.039 -0.726 . . . . 78.35 109.039 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.48 ' NZ ' ' O ' ' A' ' 5' ' ' LEU . 1.7 tppt? -63.17 142.67 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.285 -0.566 . . . . 72.8 109.839 173.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 23.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.549 . . . . 86.81 110.259 178.169 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.414 0 N-CA-C 112.471 -0.252 . . . . 77.7 112.471 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 42.5 ttp -57.64 126.18 26.23 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.866 -0.42 . . . . 65.98 109.866 -178.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 46.7 t -53.34 134.15 39.88 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.07 -0.514 . . . . 61.82 110.339 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -66.64 -10.91 50.97 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.756 -0.657 . . . . 72.18 112.48 179.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.2 -13.59 62.11 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.368 0.531 . . . . 80.19 112.425 171.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -74.73 -33.45 62.37 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.396 0.544 . . . . 61.05 111.997 174.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.547 ' O ' ' NZ ' ' B' ' 130' ' ' LYS . 28.9 mt -66.83 140.79 57.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.137 0.494 . . . . 66.9 110.328 -176.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.93 -165.9 25.27 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.917 -0.873 . . . . 70.89 110.917 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 86.6 m -118.73 125.06 48.81 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.477 -0.935 . . . . 63.32 108.477 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' TRP . . . . . 0.52 ' HB3' ' HB3' ' B' ' 128' ' ' TYR . 18.8 m95 -115.84 138.57 51.03 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.271 0.357 . . . . 61.54 110.287 -175.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.581 ' NZ ' ' O ' ' B' ' 37' ' ' LYS . 43.1 tptt -114.37 132.44 56.21 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.363 -0.606 . . . . 74.21 109.363 -178.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.0 137.94 55.49 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.083 0.468 . . . . 70.16 110.442 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -139.87 11.66 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 115.994 -0.548 . . . . 81.47 110.272 -176.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.0 t -178.37 130.68 0.13 Allowed 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.247 -0.279 . . . . 79.41 110.247 178.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 13.0 t -133.49 134.64 43.73 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.839 -0.8 . . . . 75.22 108.839 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.642 ' OE2' ' OG1' ' A' ' 29' ' ' THR . 5.9 tt0 -135.68 132.61 37.18 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.543 -0.54 . . . . 74.11 109.543 -176.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 m120 56.42 16.59 2.51 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.353 0.408 . . . . 71.77 111.965 174.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -66.24 -41.63 89.73 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.539 -0.464 . . . . 72.75 110.696 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 14.5 p-10 -51.77 -43.8 63.14 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.688 0.28 . . . . 76.12 111.137 173.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.77 -31.73 63.45 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 111.867 0.321 . . . . 73.9 111.867 -177.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -61.08 -55.52 31.7 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.913 0.387 . . . . 70.1 111.024 176.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 52.5 mtm -53.45 -45.63 69.57 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.932 0.396 . . . . 58.97 110.998 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -55.82 -25.25 40.82 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 112.159 0.429 . . . . 79.29 112.159 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.69 -8.93 51.29 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.014 0.746 . . . . 58.77 113.014 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -96.31 -16.72 21.17 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.991 0.737 . . . . 49.88 112.991 177.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.6 24.06 9.65 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-O 119.284 -0.731 . . . . 70.46 113.804 -173.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.416 HG13 ' HB ' ' B' ' 29' ' ' THR . 11.8 t -73.51 127.61 35.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 118.151 0.975 . . . . 62.47 109.368 -178.043 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.34 159.84 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.794 -0.522 . . . . 64.37 111.794 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.26 -76.38 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-N 117.572 0.686 . . . . 74.07 111.523 -178.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.69 -41.73 4.93 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.306 0.642 . . . . 71.55 112.533 -177.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . 0.416 ' HB ' HG13 ' B' ' 25' ' ' VAL . 3.0 m -65.67 -17.56 64.69 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 112.555 0.576 . . . . 77.93 112.555 -178.047 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -76.25 -56.75 4.36 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 118.549 0.613 . . . . 77.77 109.64 171.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -47.78 -42.3 25.48 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.961 -0.563 . . . . 73.99 111.025 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.27 -20.45 57.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.423 0.527 . . . . 81.5 112.423 -178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.82 -28.95 17.03 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.909 -0.876 . . . . 67.25 110.909 174.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -71.12 -17.98 62.54 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.031 0.382 . . . . 88.67 112.031 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.62 -9.84 20.58 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.208 0.603 . . . . 65.98 112.545 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.86 153.65 34.57 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.713 0.768 . . . . 83.73 110.838 -176.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.581 ' O ' ' NZ ' ' B' ' 9' ' ' LYS . 42.9 mttm -132.47 67.49 78.6 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 107.902 -1.147 . . . . 117.67 107.902 175.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.08 153.79 55.8 Favored 'Trans proline' 0 CA--C 1.518 -0.313 0 CA-C-O 121.774 0.656 . . . . 67.88 112.114 -172.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.8 p -106.33 132.71 52.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.481 -1.304 . . . . 56.41 107.481 170.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 53.4 t -113.19 130.87 66.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 108.359 -0.978 . . . . 54.94 108.359 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.74 119.49 58.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 107.368 -1.345 . . . . 52.08 107.368 -177.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 mt -106.44 111.97 37.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 106.789 -1.56 . . . . 67.82 106.789 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.33 172.18 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.771 . . . . 71.67 109.723 -178.418 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -144.37 151.57 39.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.274 -0.875 . . . . 84.65 109.417 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.34 63.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.359 1.076 . . . . 125.33 108.136 -179.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.61 -98.06 2.35 Favored Glycine 0 N--CA 1.449 -0.492 0 O-C-N 121.188 -0.945 . . . . 89.89 111.582 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -117.13 7.58 13.07 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.224 0.453 . . . . 91.38 112.224 174.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.69 128.61 55.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 108.267 -1.012 . . . . 71.2 108.267 176.103 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 28.3 mt -108.69 133.45 53.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 107.966 -1.124 . . . . 73.11 107.966 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.3 m -120.39 129.05 53.76 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.736 -0.468 . . . . 58.23 109.736 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 86.9 mt -119.3 108.09 22.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.798 -1.186 . . . . 70.2 107.798 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -100.95 141.4 33.89 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.919 0.488 . . . . 57.49 110.187 176.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -122.0 107.38 12.16 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.838 -1.171 . . . . 50.56 107.838 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -102.63 116.47 32.66 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.795 -0.446 . . . . 57.3 109.795 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' SER . . . . . 0.655 ' OG ' ' O ' ' B' ' 58' ' ' LYS . 95.2 p -132.47 160.84 35.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.654 -0.869 . . . . 61.81 108.654 172.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.6 m -58.79 -57.35 13.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.821 -0.627 . . . . 95.95 110.804 171.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -51.84 -67.2 0.27 Allowed 'General case' 0 C--O 1.236 0.371 0 O-C-N 122.213 -0.304 . . . . 84.06 111.016 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.655 ' O ' ' OG ' ' B' ' 55' ' ' SER . 2.0 mttt -128.85 168.6 15.69 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.028 0.918 . . . . 111.27 110.38 -176.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -137.42 144.55 42.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.397 -1.334 . . . . 64.97 107.397 174.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -139.46 165.33 27.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.647 0.737 . . . . 53.86 109.406 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -167.01 132.74 2.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.211 -0.904 . . . . 78.62 109.906 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 32.5 pt -135.17 137.62 50.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 108.389 -0.967 . . . . 48.91 108.389 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -122.72 137.05 55.03 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.663 -0.866 . . . . 60.89 108.663 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -160.68 171.02 19.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 59.01 109.503 -168.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -120.6 144.85 47.9 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 114.856 -1.065 . . . . 70.3 108.271 169.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.26 131.54 50.93 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.551 -0.46 . . . . 78.69 110.388 -176.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.76 -11.92 44.34 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 115.469 0.948 . . . . 52.86 115.469 177.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -98.44 129.57 45.06 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.826 1.313 . . . . 72.67 109.592 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -77.72 138.48 39.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.054 -0.521 . . . . 59.39 110.686 -176.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -138.49 165.54 26.58 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.611 -0.722 . . . . 62.96 109.416 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -99.37 129.16 45.55 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.377 -0.829 . . . . 70.5 109.383 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -133.45 144.33 49.41 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.24 -0.652 . . . . 52.23 109.24 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 83.5 m -108.25 115.36 29.98 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.479 -1.304 . . . . 57.48 107.479 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 42.4 p -82.54 165.83 19.79 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 122.062 0.934 . . . . 55.91 110.907 -169.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.01 -33.62 25.72 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.97 -1.014 . . . . 55.45 112.571 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -94.85 22.77 6.09 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.925 -0.484 . . . . 50.14 112.069 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 15.9 t30 58.71 60.49 2.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 122.437 1.113 . . . . 62.11 110.861 172.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 25.1 mtm105 -113.33 120.89 42.7 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.942 -1.503 . . . . 54.7 106.942 170.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -87.5 96.22 10.31 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 107.561 -1.274 . . . . 137.6 107.561 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 63.9 p -108.8 170.44 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.909 0.862 . . . . 55.15 110.477 -172.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -125.1 94.47 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 105.881 -1.896 . . . . 67.78 105.881 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 14.8 m -100.5 159.61 15.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.072 0.939 . . . . 55.38 111.747 -167.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.4 mt -138.91 143.37 31.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 107.153 -1.425 . . . . 61.55 107.153 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 40.8 t -122.34 123.08 67.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 107.609 -1.256 . . . . 55.14 107.609 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -119.92 164.78 15.54 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.412 0.625 . . . . 67.27 109.715 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.0 tp -115.15 131.06 57.05 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.321 -0.854 . . . . 70.54 109.23 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -148.29 109.95 4.46 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.25 -1.019 . . . . 90.24 108.25 -176.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 57.9 25.76 12.5 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.334 0.494 . . . . 113.17 112.334 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.68 -2.86 73.85 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-O 119.079 -0.845 . . . . 83.86 115.04 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 p -95.17 140.17 30.47 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.462 1.131 . . . . 71.3 109.181 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.7 tp -100.19 100.69 11.56 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.351 -1.351 . . . . 64.5 107.351 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -99.22 120.05 38.9 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.226 -0.443 . . . . 72.66 110.138 -173.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -111.23 135.77 51.28 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.986 -0.746 . . . . 59.47 108.986 174.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 6.9 p -129.28 126.17 63.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.658 -0.867 . . . . 55.69 108.658 -179.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -110.1 127.02 54.64 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.932 -0.766 . . . . 54.97 108.932 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -120.26 134.23 55.3 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.645 -0.502 . . . . 89.81 109.645 -176.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -168.02 148.25 4.94 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.777 -0.824 . . . . 72.37 108.777 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 t0 52.71 39.78 29.15 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.598 0.713 . . . . 101.41 111.269 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.9 23.33 50.83 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.332 -0.937 . . . . 77.28 113.597 -175.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -114.75 -173.36 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.514 -0.921 . . . . 91.37 108.514 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -173.71 145.11 1.14 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.185 -0.672 . . . . 63.93 109.185 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.9 t -144.23 152.38 40.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.096 -1.076 . . . . 53.79 108.096 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 30.2 p -121.05 145.45 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.817 -0.629 . . . . 57.87 109.953 -175.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 18.4 mm -130.03 93.65 2.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 105.885 -1.895 . . . . 56.41 105.885 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -92.5 116.78 29.29 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.523 -0.547 . . . . 86.99 109.523 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.72 ' NH2' ' O1 ' ' B' ' 201' ' ' PLM . 59.5 mtt85 -109.71 118.62 37.01 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.453 -0.943 . . . . 65.15 108.453 178.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -130.51 155.12 47.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.581 0.705 . . . . 74.32 110.05 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.74 134.07 39.09 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.98 -1.009 . . . . 52.67 109.392 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 65.8 t -145.49 106.34 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.933 -0.766 . . . . 61.16 108.933 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 60.57 52.56 4.5 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.699 0.761 . . . . 67.04 111.261 174.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.94 -1.18 18.01 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 115.556 0.982 . . . . 65.75 115.556 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.04 142.47 46.93 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.676 1.238 . . . . 78.91 109.255 179.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 54.5 ttp -96.88 129.34 44.34 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.933 -0.766 . . . . 56.74 108.933 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.14 145.68 18.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.595 -0.891 . . . . 68.37 108.595 177.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -125.93 113.0 16.61 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.265 -1.013 . . . . 58.71 108.265 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -101.12 114.24 28.01 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.371 -0.974 . . . . 79.54 108.371 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' CYS . . . . . . . . . . . . . 1.8 m -107.55 118.14 35.96 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.791 -0.818 . . . . 64.46 108.791 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -108.21 142.16 38.88 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.613 -0.514 . . . . 85.46 109.613 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' MET . . . . . . . . . . . . . 16.6 tpt -169.74 104.75 0.34 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.004 -0.544 . . . . 58.33 110.152 178.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.68 57.79 4.55 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 122.015 0.912 . . . . 112.08 111.043 176.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . 69.72 1.42 30.95 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.09 -0.959 . . . . 63.56 115.227 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.21 138.79 21.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 118.549 1.174 . . . . 62.6 108.53 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' VAL . . . . . . . . . . . . . 16.9 t -128.63 106.94 15.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.92 -1.141 . . . . 55.52 107.92 -175.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.51 151.46 21.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.582 . . . . 56.82 109.639 170.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 47.1 m -146.04 115.6 7.19 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.133 -1.062 . . . . 57.42 108.133 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -124.59 131.98 53.45 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.094 -0.706 . . . . 79.73 109.094 -178.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 23.1 mt -105.54 138.75 29.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 108.15 -1.055 . . . . 69.89 108.15 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' TYR . . . . . 0.52 ' HB3' ' HB3' ' B' ' 8' ' ' TRP . 56.7 m-85 -128.69 133.7 48.27 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.053 -0.521 . . . . 61.72 109.88 -172.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -106.7 132.61 52.49 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.325 0.65 . . . . 113.23 110.665 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' B' ' 5' ' ' LEU . 12.4 tptt -63.57 145.99 54.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.368 0.604 . . . . 79.49 110.017 171.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.003 -0.544 . . . . 65.58 109.556 177.817 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' PLM . . . . . 0.72 ' O1 ' ' NH2' ' B' ' 106' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_