data_3nqu_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3nqu _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 59' ' ' HIS . . . . . 0.416 ' O ' ' NH2' ' B' ' 40' ' ' ARG . 1.3 t60 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 121.192 0.52 . . . . 77.260000000000005 112.209 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mp -84.25 130.15 34.84 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 113.655 0.983 . . . . 68.640000000000001 113.655 -168.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -100.89 -17.23 16.93 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 114.883 -1.053 . . . . 65.019999999999996 110.857 -170.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.3 mt -96.51 138.79 20.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 105.72 -1.955 . . . . 62.5 105.72 171.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . . . -60.52 134.77 57.4 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 120.494 -0.482 . . . . 69.629999999999995 109.713 174.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -57.3 -31.37 65.58 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.489 1.292 . . . . 78.709999999999994 114.489 -177.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.0 -57.51 0.76 Allowed Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 117.749 0.25 . . . . 69.299999999999997 111.582 -174.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -45.9 -42.47 20.17 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 117.695 -1.07 . . . . 70.829999999999998 114.7 167.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -65.83 -18.9 65.66 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.247 1.203 . . . . 47.859999999999999 114.247 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.35 -38.37 10.1 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.015 -0.735 . . . . 56.439999999999998 109.015 -169.892 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -58.8 -55.76 30.92 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.101 -1.444 . . . . 73.040000000000006 107.101 173.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.1 tp -46.21 -63.51 0.97 Allowed 'General case' 0 C--O 1.253 1.248 0 C-N-CA 122.87 0.468 . . . . 47.990000000000002 110.943 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.03 14.65 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 115.665 -0.698 . . . . 43.0 111.511 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -67.51 -42.59 82.57 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.722 -0.844 . . . . 48.130000000000003 108.722 -176.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.65 -38.64 85.5 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.459 0.647 . . . . 67.349999999999994 110.132 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.1 mt -69.22 -45.2 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 CA-C-N 114.153 -1.385 . . . . 45.789999999999999 108.071 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.6 t -66.2 -45.25 81.44 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.107 -1.071 . . . . 47.479999999999997 108.107 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.0 t -64.13 -30.01 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 113.528 0.936 . . . . 49.189999999999998 113.528 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -78.61 -16.19 57.66 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.726 -0.842 . . . . 57.840000000000003 108.726 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -93.42 -52.08 4.68 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.768 -0.651 . . . . 41.630000000000003 110.642 175.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.6 p -73.29 -41.08 64.0 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 119.615 -0.231 . . . . 45.25 110.801 -177.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . 0.444 ' NH2' ' O4 ' ' A' ' 142' ' ' SO4 . 2.6 ttm180 71.31 17.86 5.78 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.549 0.531 . . . . 60.609999999999999 111.799 163.254 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.94 -27.4 0.92 Allowed Glycine 0 C--O 1.223 -0.592 0 CA-C-N 116.139 -0.482 . . . . 56.039999999999999 112.848 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.09 128.46 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 107.812 -1.181 . . . . 55.219999999999999 107.812 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -91.63 123.56 35.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.59 -2.004 . . . . 72.920000000000002 105.59 -168.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -124.45 150.87 45.21 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.865 0.728 . . . . 56.75 111.003 170.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -101.21 151.59 21.67 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 108.207 -1.035 . . . . 85.469999999999999 108.207 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -115.2 119.15 35.39 Favored 'General case' 0 CA--C 1.509 -0.596 0 O-C-N 123.394 0.434 . . . . 81.590000000000003 111.059 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -56.1 139.01 48.55 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.654 -0.869 . . . . 63.880000000000003 108.654 168.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.17 -27.7 55.36 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 109.61 -0.515 . . . . 70.870000000000005 109.61 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -14.47 50.65 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.602 1.161 . . . . 86.25 111.337 -177.842 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.47 -54.02 6.62 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.146 -1.428 . . . . 59.420000000000002 107.146 173.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.26 -37.14 64.38 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 114.141 1.163 . . . . 71.459999999999994 114.141 174.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.32 -50.81 43.08 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 108.766 -0.828 . . . . 75.760000000000005 108.766 -179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.05 79.4 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.153 0.501 . . . . 57.810000000000002 111.198 -177.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.4 tp -57.72 -55.71 31.35 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.679 -1.146 . . . . 47.359999999999999 109.969 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -57.84 -41.6 82.69 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.33 0.863 . . . . 47.020000000000003 113.33 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.14 -52.47 51.52 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 118.708 0.686 . . . . 65.5 109.871 173.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.55 90.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.657 -0.701 . . . . 47.539999999999999 111.344 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.13 81.57 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.975 -0.75 . . . . 44.979999999999997 108.975 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.93 -48.23 72.07 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.995 -0.682 . . . . 60.170000000000002 111.167 -177.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.89 67.51 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.723 1.264 . . . . 46.719999999999999 110.096 -172.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -78.56 -44.35 24.41 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 107.04 -1.467 . . . . 43.039999999999999 107.04 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.36 -40.78 95.56 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 120.55 -0.46 . . . . 38.649999999999999 110.446 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.06 -46.0 92.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 123.802 0.689 . . . . 38.670000000000002 111.856 -177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -72.61 -32.83 66.26 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.9 -1.148 . . . . 42.770000000000003 107.9 179.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.76 -48.78 75.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 118.415 -0.802 . . . . 34.780000000000001 109.448 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -49.33 -39.62 32.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.813 1.783 . . . . 34.289999999999999 115.813 167.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -71.17 -51.5 24.53 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 119.548 -0.861 . . . . 61.32 110.521 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' A' ' 133' ' ' ARG . 98.1 m-20 -53.2 -49.61 66.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.443 -0.799 . . . . 48.520000000000003 110.956 176.868 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.3 -24.28 66.31 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 111.716 0.265 . . . . 40.460000000000001 111.716 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -83.2 -37.29 23.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.749 0.656 . . . . 47.700000000000003 112.754 -176.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.3 mt -56.49 -39.52 73.4 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.294 -1.002 . . . . 45.549999999999997 108.294 167.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.89 -54.44 46.48 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 114.412 1.264 . . . . 38.799999999999997 114.412 171.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.8 m -45.19 -62.93 1.06 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.059 0.544 . . . . 38.450000000000003 111.838 171.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 mt -47.38 -48.39 25.93 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 112.419 0.525 . . . . 46.549999999999997 112.419 175.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -53.45 -39.98 64.88 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 118.027 -0.987 . . . . 42.310000000000002 110.518 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.81 14.07 0.9 Allowed 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 116.261 1.949 . . . . 40.82 116.261 174.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 76.28 -11.88 11.31 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 118.047 1.979 . . . . 47.280000000000001 118.047 -175.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -84.96 173.86 10.22 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.752 1.221 . . . . 46.939999999999998 111.525 -173.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.0 m -131.17 -4.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.692 -0.855 . . . . 51.07 108.692 176.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 51.4 m -105.86 121.51 44.22 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.721 -0.474 . . . . 45.829999999999998 109.721 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 24.4 tp -67.6 126.6 29.87 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 123.845 0.716 . . . . 37.600000000000001 109.457 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 123' ' ' PRO . 10.3 m-30 -111.71 149.41 40.72 Favored Pre-proline 0 N--CA 1.491 1.591 0 C-N-CA 125.258 1.423 . . . . 39.210000000000001 111.168 179.417 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PRO . . . . . 0.434 ' C ' ' O ' ' A' ' 122' ' ' PHE . 31.9 Cg_exo -49.38 -31.88 24.56 Favored 'Trans proline' 0 CA--C 1.546 1.103 1 C-N-CA 113.184 -4.077 . . . . 42.409999999999997 113.429 177.068 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -65.02 -30.69 71.68 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.294 0.952 . . . . 37.020000000000003 111.581 -176.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.39 -50.78 72.24 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 120.418 0.151 . . . . 40.920000000000002 111.051 171.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.83 -42.57 96.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 CA-C-O 119.181 -0.437 . . . . 37.829999999999998 112.061 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -68.65 -34.45 75.72 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.5 0.926 . . . . 53.770000000000003 113.5 -178.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -47.7 67.44 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.129 -2.174 . . . . 41.439999999999998 105.129 178.805 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.44 71.28 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.583 0.552 . . . . 44.479999999999997 112.245 -177.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -67.25 -31.63 72.1 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 115.926 -0.579 . . . . 66.230000000000004 109.519 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ARG . . . . . 0.541 ' NH1' ' O ' ' A' ' 148' ' ' HOH . 0.4 OUTLIER -73.78 -33.39 64.22 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 106.436 -1.69 . . . . 77.150000000000006 106.436 -172.967 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 mt -81.7 -24.11 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 CA-C-N 114.995 -1.002 . . . . 57.780000000000001 110.606 -177.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' A' ' 108' ' ' ASP . 9.9 mtt-85 -74.6 -43.03 57.53 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.393 -0.523 . . . . 64.730000000000004 112.353 171.321 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 CA-C-N 118.149 0.431 . . . . 65.430000000000007 113.436 176.25 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.5 t30 . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 114.916 1.45 . . . . 78.969999999999999 114.916 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -72.78 -30.98 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 116.536 2.05 . . . . 65.840000000000003 116.536 -160.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -71.56 -4.1 25.06 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.058 0.456 . . . . 72.609999999999999 110.33 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.77 -2.92 90.7 Favored Glycine 0 C--N 1.336 0.559 0 CA-C-N 114.73 -1.123 . . . . 64.489999999999995 112.477 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 mm -92.61 113.92 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 107.348 -1.352 . . . . 56.43 107.348 166.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . 0.445 ' OG1' ' O3 ' ' B' ' 104' ' ' SO4 . 58.9 p -93.92 150.27 20.51 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 115.305 -0.861 . . . . 58.659999999999997 110.693 -158.615 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -41.0 -56.29 4.16 Favored Pre-proline 0 N--CA 1.441 -0.911 0 O-C-N 124.706 1.254 . . . . 56.340000000000003 111.724 171.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -55.62 -41.54 76.69 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 116.51 -1.86 . . . . 54.049999999999997 113.436 -178.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.41 84.36 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 120.412 -0.515 . . . . 47.890000000000001 110.334 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -65.51 -32.8 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 119.033 -1.067 . . . . 41.009999999999998 111.464 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -76.76 -35.79 57.5 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 120.026 -0.67 . . . . 48.539999999999999 111.859 -178.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' B' ' 114' ' ' HOH . 88.9 mtm-85 -62.68 -47.9 81.63 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 109.611 -0.514 . . . . 60.859999999999999 109.611 176.528 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 mt -54.89 -47.63 74.06 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.14 0.976 . . . . 47.969999999999999 110.393 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.96 95.93 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 118.803 -1.159 . . . . 47.130000000000003 110.947 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ARG . . . . . 0.431 ' NH1' ' CG ' ' B' ' 39' ' ' ARG . 0.8 OUTLIER -61.81 -46.6 88.82 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 108.118 -1.068 . . . . 50.619999999999997 108.118 -178.415 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ARG . . . . . 0.416 ' NH2' ' O ' ' A' ' 59' ' ' HIS . 1.7 ttm180 -61.51 -32.3 72.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.869 -1.06 . . . . 77.849999999999994 108.369 -179.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.52 1.57 65.82 Favored Glycine 0 N--CA 1.465 0.569 0 N-CA-C 114.937 0.735 . . . . 49.640000000000001 114.937 175.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.81 -3.04 87.65 Favored Glycine 0 N--CA 1.463 0.491 0 CA-C-O 119.576 -0.569 . . . . 50.25 114.238 174.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -64.07 137.39 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.71 -0.848 . . . . 50.609999999999999 108.71 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -101.12 -55.49 2.54 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.812 -1.155 . . . . 65.459999999999994 110.36 -173.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . . . -118.2 157.76 26.37 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.193 0.933 . . . . 50.340000000000003 109.621 168.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 pt -139.01 152.3 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 121.875 -0.516 . . . . 41.939999999999998 111.747 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.9 t -75.29 142.5 43.28 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 122.033 0.92 . . . . 37.420000000000002 109.592 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.96 -25.8 0.08 OUTLIER Glycine 0 C--N 1.31 -0.871 0 C-N-CA 119.911 -1.137 . . . . 37.789999999999999 114.581 165.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mt -89.25 -10.82 45.49 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 118.903 1.352 . . . . 36.030000000000001 112.165 -171.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 9.2 mm -51.96 -46.98 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 O-C-N 123.49 0.493 . . . . 36.359999999999999 111.108 169.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -44.16 -63.74 0.81 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 119.118 -0.467 . . . . 39.07 110.656 -176.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.14 -35.59 80.89 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.48 0.548 . . . . 57.630000000000003 112.48 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -57.46 -47.1 82.76 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 119.604 -0.838 . . . . 59.18 108.96 174.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 48.8 m -66.76 -36.42 82.38 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.395 1.093 . . . . 41.409999999999997 111.241 -173.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -60.82 -36.47 79.17 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.106 1.15 . . . . 47.890000000000001 114.106 171.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' B' ' 116' ' ' HOH . . . -67.07 -45.04 86.16 Favored Glycine 0 N--CA 1.472 1.094 0 N-CA-C 108.29 -1.924 . . . . 35.299999999999997 108.29 -178.717 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.7 t -58.04 -53.8 40.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 C-N-CA 127.218 2.207 . . . . 36.170000000000002 108.663 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.2 -39.22 93.52 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 115.181 1.549 . . . . 33.93 115.181 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . . . -57.65 -51.93 67.51 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 121.432 1.924 . . . . 30.699999999999999 112.368 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 75.5 t -53.21 -55.63 11.72 Favored 'Isoleucine or valine' 0 C--O 1.269 2.08 0 C-N-CA 124.642 1.177 . . . . 35.149999999999999 112.182 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -54.52 -51.35 65.42 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 120.505 -0.478 . . . . 39.439999999999998 111.503 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.61 -41.0 80.4 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.899 -1.12 . . . . 33.020000000000003 111.962 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -65.69 -28.82 69.35 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 119.256 -0.978 . . . . 49.710000000000001 111.666 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -77.28 -49.01 15.97 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 105.552 -2.018 . . . . 35.909999999999997 105.552 -175.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.6 -53.14 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 106.287 -1.746 . . . . 41.5 106.287 -169.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.53 -51.56 41.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 C-N-CA 119.899 -0.72 . . . . 48.530000000000001 111.117 -176.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -52.51 -39.34 61.21 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.991 0.367 . . . . 63.219999999999999 111.991 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -71.66 -41.4 68.77 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.778 1.399 . . . . 61.560000000000002 114.778 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.62 83.83 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.712 -0.847 . . . . 47.140000000000001 108.712 179.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.5 t -67.82 -43.13 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 CA-C-N 114.544 -1.207 . . . . 47.170000000000002 109.901 -176.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.0 m -57.92 -49.59 76.23 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 118.737 -0.649 . . . . 54.009999999999998 109.723 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.41 -37.72 88.37 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 114.762 1.393 . . . . 86.879999999999995 114.762 175.487 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 9.4 m -50.12 -61.51 2.11 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.093 -1.077 . . . . 59.710000000000001 108.093 170.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -52.62 -44.45 66.05 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.686 1.241 . . . . 68.930000000000007 110.748 -175.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -57.01 -45.69 82.86 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 112.347 0.499 . . . . 80.109999999999999 112.347 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.24 9.38 1.01 Allowed 'General case' 0 C--O 1.247 0.941 0 N-CA-C 114.782 1.401 . . . . 67.540000000000006 114.782 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . . . 62.83 20.25 12.04 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.844 1.794 . . . . 63.579999999999998 115.844 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -98.32 172.76 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.598 0.713 . . . . 77.519999999999996 112.263 176.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . . . -133.96 24.97 3.94 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.996 -1.113 . . . . 70.109999999999999 107.996 -179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 8.2 m -142.35 109.58 5.6 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 114.951 -1.022 . . . . 74.189999999999998 110.653 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 69.4 t -67.93 119.75 14.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.266 -1.334 . . . . 64.489999999999995 109.693 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -94.59 -178.4 4.54 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.822 0.675 . . . . 75.290000000000006 112.822 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.81 -24.12 38.73 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.332 -0.849 . . . . 75.579999999999998 112.688 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -80.41 -23.64 40.23 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 119.652 -0.819 . . . . 91.689999999999998 110.798 171.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.12 -47.66 81.85 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.524 0.515 . . . . 71.219999999999999 111.515 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.63 -50.41 79.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 C-N-CA 123.783 0.833 . . . . 61.710000000000001 110.188 175.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.22 -27.73 20.43 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 C-N-CA 124.93 1.292 . . . . 70.200000000000003 113.967 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -73.52 -45.82 51.5 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.584 -0.895 . . . . 80.450000000000003 108.584 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.17 73.53 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.257 0.348 . . . . 62.770000000000003 110.496 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.14 -50.75 64.81 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.937 0.347 . . . . 62.93 111.937 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt . . . . . 0 CA--C 1.549 0.919 0 CA-C-O 122.402 1.096 . . . . 77.180000000000007 112.153 161.95 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' SO4 . . . . . 0.444 ' O4 ' ' NH2' ' A' ' 80' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' SO4 . . . . . 0.445 ' O3 ' ' OG1' ' B' ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . 0.541 ' O ' ' NH1' ' A' ' 131' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . 0.439 ' O ' ' CD ' ' B' ' 36' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . 0.456 ' O ' ' CA ' ' B' ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HIS . . . . . 0.416 ' O ' ' NH2' ' B' ' 40' ' ' ARG . 1.3 t60 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 121.192 0.52 . . . . 77.26 112.209 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . 0.541 HD23 ' CD ' ' A' ' 95' ' ' GLN . 9.1 mp -84.25 130.15 34.84 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 113.655 0.983 . . . . 68.64 113.655 -168.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -100.89 -17.23 16.93 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 114.883 -1.053 . . . . 65.02 110.857 -170.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.3 mt -96.51 138.79 20.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 105.72 -1.955 . . . . 62.5 105.72 171.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . . . -60.52 134.77 57.4 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 120.494 -0.482 . . . . 69.63 109.713 174.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 68' ' ' SER . 48.9 mttt -57.3 -31.37 65.58 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.489 1.292 . . . . 78.71 114.489 -177.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -79.0 -57.51 0.76 Allowed Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 117.749 0.25 . . . . 69.3 111.582 -174.665 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 65' ' ' LEU . 43.3 Cg_exo -45.9 -42.47 20.17 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 117.695 -1.07 . . . . 70.83 114.7 167.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -65.83 -18.9 65.66 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.247 1.203 . . . . 47.86 114.247 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER -96.35 -38.37 10.1 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.015 -0.735 . . . . 56.44 109.015 -169.892 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -58.8 -55.76 30.92 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.101 -1.444 . . . . 73.04 107.101 173.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.1 tp -46.21 -63.51 0.97 Allowed 'General case' 0 C--O 1.253 1.248 0 C-N-CA 122.87 0.468 . . . . 47.99 110.943 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.03 14.65 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 115.665 -0.698 . . . . 43.0 111.511 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -67.51 -42.59 82.57 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.722 -0.844 . . . . 48.13 108.722 -176.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.65 -38.64 85.5 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.459 0.647 . . . . 67.35 110.132 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.1 mt -69.22 -45.2 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 CA-C-N 114.153 -1.385 . . . . 45.79 108.071 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.6 t -66.2 -45.25 81.44 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.107 -1.071 . . . . 47.48 108.107 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.0 t -64.13 -30.01 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 113.528 0.936 . . . . 49.19 113.528 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -78.61 -16.19 57.66 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.726 -0.842 . . . . 57.84 108.726 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' PHE . . . . . 0.733 ' CD1' ' HG2' ' B' ' 67' ' ' ARG . 58.7 t80 -93.42 -52.08 4.68 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.768 -0.651 . . . . 41.63 110.642 175.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.6 p -73.29 -41.08 64.0 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 119.615 -0.231 . . . . 45.25 110.801 -177.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . 0.675 HH21 ' HA ' ' A' ' 78' ' ' PHE . 2.6 ttm180 71.31 17.86 5.78 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.549 0.531 . . . . 60.61 111.799 163.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.94 -27.4 0.92 Allowed Glycine 0 C--O 1.223 -0.592 0 CA-C-N 116.139 -0.482 . . . . 56.04 112.848 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.09 128.46 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 107.812 -1.181 . . . . 55.22 107.812 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -91.63 123.56 35.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.59 -2.004 . . . . 72.92 105.59 -168.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -124.45 150.87 45.21 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.865 0.728 . . . . 56.75 111.003 170.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -101.21 151.59 21.67 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 108.207 -1.035 . . . . 85.47 108.207 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -115.2 119.15 35.39 Favored 'General case' 0 CA--C 1.509 -0.596 0 O-C-N 123.394 0.434 . . . . 81.59 111.059 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -56.1 139.01 48.55 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.654 -0.869 . . . . 63.88 108.654 168.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.17 -27.7 55.36 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 109.61 -0.515 . . . . 70.87 109.61 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -14.47 50.65 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.602 1.161 . . . . 86.25 111.337 -177.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.47 -54.02 6.62 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.146 -1.428 . . . . 59.42 107.146 173.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.26 -37.14 64.38 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 114.141 1.163 . . . . 71.46 114.141 174.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.32 -50.81 43.08 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 108.766 -0.828 . . . . 75.76 108.766 -179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.05 79.4 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.153 0.501 . . . . 57.81 111.198 -177.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.4 tp -57.72 -55.71 31.35 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.679 -1.146 . . . . 47.36 109.969 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . 0.541 ' CD ' HD23 ' A' ' 60' ' ' LEU . 39.2 tt0 -57.84 -41.6 82.69 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.33 0.863 . . . . 47.02 113.33 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.14 -52.47 51.52 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 118.708 0.686 . . . . 65.5 109.871 173.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.55 90.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.657 -0.701 . . . . 47.54 111.344 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.13 81.57 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.975 -0.75 . . . . 44.98 108.975 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.93 -48.23 72.07 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.995 -0.682 . . . . 60.17 111.167 -177.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.89 67.51 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.723 1.264 . . . . 46.72 110.096 -172.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -78.56 -44.35 24.41 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 107.04 -1.467 . . . . 43.04 107.04 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.36 -40.78 95.56 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 120.55 -0.46 . . . . 38.65 110.446 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . 0.424 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 42.6 t -65.06 -46.0 92.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 123.802 0.689 . . . . 38.67 111.856 -177.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -72.61 -32.83 66.26 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.9 -1.148 . . . . 44.33 107.9 179.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.76 -48.78 75.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 118.415 -0.802 . . . . 34.78 109.448 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -49.33 -39.62 32.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.813 1.783 . . . . 34.29 115.813 167.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 103' ' ' VAL . 42.5 mt-10 -71.17 -51.5 24.53 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 119.548 -0.861 . . . . 61.32 110.521 -178.293 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -53.2 -49.61 66.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.443 -0.799 . . . . 48.52 110.956 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.3 -24.28 66.31 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 111.716 0.265 . . . . 40.46 111.716 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -83.2 -37.29 23.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.749 0.656 . . . . 47.7 112.754 -176.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.3 mt -56.49 -39.52 73.4 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.294 -1.002 . . . . 45.55 108.294 167.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LEU . . . . . 0.705 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 5.3 mt -56.89 -54.44 46.48 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 114.412 1.264 . . . . 38.8 114.412 171.807 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' THR . . . . . 0.444 HG23 ' NH1' ' A' ' 118' ' ' ARG . 5.8 m -45.19 -62.93 1.06 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.059 0.544 . . . . 38.45 111.838 171.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 mt -47.38 -48.39 25.93 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 112.419 0.525 . . . . 46.55 112.419 175.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -53.45 -39.98 64.88 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 118.027 -0.987 . . . . 42.31 110.518 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.81 14.07 0.9 Allowed 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 116.261 1.949 . . . . 40.82 116.261 174.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 76.28 -11.88 11.31 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 118.047 1.979 . . . . 47.28 118.047 -175.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ARG . . . . . 0.444 ' NH1' HG23 ' A' ' 113' ' ' THR . 34.1 mtm105 -84.96 173.86 10.22 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.752 1.221 . . . . 46.94 111.525 -173.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' VAL . . . . . 0.528 HG22 ' O1 ' ' A' ' 141' ' ' SO4 . 5.0 m -131.17 -4.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.692 -0.855 . . . . 51.07 108.692 176.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 51.4 m -105.86 121.51 44.22 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.721 -0.474 . . . . 45.83 109.721 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LEU . . . . . 0.488 HD22 HG21 ' B' ' 43' ' ' VAL . 24.4 tp -67.6 126.6 29.87 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 123.845 0.716 . . . . 37.6 109.457 179.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 123' ' ' PRO . 10.3 m-30 -111.71 149.41 40.72 Favored Pre-proline 0 N--CA 1.491 1.591 0 C-N-CA 125.258 1.423 . . . . 39.21 111.168 179.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PRO . . . . . 0.434 ' C ' ' O ' ' A' ' 122' ' ' PHE . 31.9 Cg_exo -49.38 -31.88 24.56 Favored 'Trans proline' 0 CA--C 1.546 1.103 1 C-N-CA 113.184 -4.077 . . . . 42.41 113.429 177.068 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -65.02 -30.69 71.68 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.294 0.952 . . . . 38.8 111.581 -176.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.39 -50.78 72.24 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 120.418 0.151 . . . . 40.92 111.051 171.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.83 -42.57 96.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 CA-C-O 119.181 -0.437 . . . . 37.83 112.061 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -68.65 -34.45 75.72 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.5 0.926 . . . . 53.77 113.5 -178.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LEU . . . . . 0.705 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 0.9 OUTLIER -68.12 -47.7 67.44 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.129 -2.174 . . . . 41.44 105.129 178.805 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.44 71.28 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.583 0.552 . . . . 44.48 112.245 -177.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -67.25 -31.63 72.1 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 115.926 -0.579 . . . . 66.23 109.519 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ARG . . . . . 0.541 ' NH1' ' O ' ' A' ' 148' ' ' HOH . 0.4 OUTLIER -73.78 -33.39 64.22 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 106.436 -1.69 . . . . 77.15 106.436 -172.967 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 mt -81.7 -24.11 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 CA-C-N 114.995 -1.002 . . . . 57.78 110.606 -177.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -74.6 -43.03 57.53 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.393 -0.523 . . . . 64.73 112.353 171.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 CA-C-N 118.149 0.431 . . . . 65.43 113.436 176.25 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.5 t30 . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 114.916 1.45 . . . . 78.97 114.916 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -72.78 -30.98 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 116.536 2.05 . . . . 65.84 116.536 -160.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -71.56 -4.1 25.06 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.058 0.456 . . . . 72.61 110.33 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.77 -2.92 90.7 Favored Glycine 0 C--N 1.336 0.559 0 CA-C-N 114.73 -1.123 . . . . 64.49 112.477 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 mm -92.61 113.92 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 107.348 -1.352 . . . . 56.43 107.348 166.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . 0.53 ' HB ' ' HD2' ' B' ' 32' ' ' PRO . 58.9 p -93.92 150.27 20.51 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 115.305 -0.861 . . . . 58.66 110.693 -158.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -41.0 -56.29 4.16 Favored Pre-proline 0 N--CA 1.441 -0.911 0 O-C-N 124.706 1.254 . . . . 56.34 111.724 171.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' B' ' 30' ' ' THR . 34.6 Cg_exo -55.62 -41.54 76.69 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 116.51 -1.86 . . . . 54.05 113.436 -178.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.41 84.36 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 120.412 -0.515 . . . . 47.89 110.334 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -65.51 -32.8 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 119.033 -1.067 . . . . 41.01 111.464 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -76.76 -35.79 57.5 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 120.026 -0.67 . . . . 48.54 111.859 -178.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . 0.929 ' HD3' ' O ' ' B' ' 114' ' ' HOH . 88.9 mtm-85 -62.68 -47.9 81.63 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 109.611 -0.514 . . . . 60.86 109.611 176.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 mt -54.89 -47.63 74.06 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.14 0.976 . . . . 47.97 110.393 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.96 95.93 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 118.803 -1.159 . . . . 47.13 110.947 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ARG . . . . . 0.876 ' HG3' HH11 ' B' ' 39' ' ' ARG . 0.8 OUTLIER -61.81 -46.6 88.82 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 108.118 -1.068 . . . . 63.03 108.118 -178.415 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ARG . . . . . 0.416 ' NH2' ' O ' ' A' ' 59' ' ' HIS . 1.7 ttm180 -61.51 -32.3 72.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.869 -1.06 . . . . 77.85 108.369 -179.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.52 1.57 65.82 Favored Glycine 0 N--CA 1.465 0.569 0 N-CA-C 114.937 0.735 . . . . 49.64 114.937 175.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.81 -3.04 87.65 Favored Glycine 0 N--CA 1.463 0.491 0 CA-C-O 119.576 -0.569 . . . . 50.25 114.238 174.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' VAL . . . . . 0.488 HG21 HD22 ' A' ' 121' ' ' LEU . 40.0 t -64.07 137.39 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.71 -0.848 . . . . 50.61 108.71 178.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -101.12 -55.49 2.54 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.812 -1.155 . . . . 65.46 110.36 -173.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . . . -118.2 157.76 26.37 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.193 0.933 . . . . 50.34 109.621 168.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ILE . . . . . 0.466 HG22 HG11 ' B' ' 43' ' ' VAL . 9.2 pt -139.01 152.3 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 121.875 -0.516 . . . . 41.94 111.747 -179.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.9 t -75.29 142.5 43.28 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 122.033 0.92 . . . . 37.42 109.592 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.96 -25.8 0.08 OUTLIER Glycine 0 C--N 1.31 -0.871 0 C-N-CA 119.911 -1.137 . . . . 37.79 114.581 165.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mt -89.25 -10.82 45.49 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 118.903 1.352 . . . . 36.03 112.165 -171.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 9.2 mm -51.96 -46.98 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 O-C-N 123.49 0.493 . . . . 36.36 111.108 169.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -44.16 -63.74 0.81 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 119.118 -0.467 . . . . 39.07 110.656 -176.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.14 -35.59 80.89 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.48 0.548 . . . . 57.63 112.48 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -57.46 -47.1 82.76 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 119.604 -0.838 . . . . 59.18 108.96 174.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 48.8 m -66.76 -36.42 82.38 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.395 1.093 . . . . 41.41 111.241 -173.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -60.82 -36.47 79.17 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.106 1.15 . . . . 47.89 114.106 171.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLY . . . . . 0.771 ' HA3' ' O ' ' B' ' 116' ' ' HOH . . . -67.07 -45.04 86.16 Favored Glycine 0 N--CA 1.472 1.094 0 N-CA-C 108.29 -1.924 . . . . 35.3 108.29 -178.717 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.7 t -58.04 -53.8 40.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 C-N-CA 127.218 2.207 . . . . 36.17 108.663 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.2 -39.22 93.52 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 115.181 1.549 . . . . 33.93 115.181 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . . . -57.65 -51.93 67.51 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 121.432 1.924 . . . . 30.7 112.368 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' VAL . . . . . 0.497 ' HA ' ' OE1' ' B' ' 63' ' ' GLU . 75.5 t -53.21 -55.63 11.72 Favored 'Isoleucine or valine' 0 C--O 1.269 2.08 0 C-N-CA 124.642 1.177 . . . . 35.15 112.182 175.8 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -54.52 -51.35 65.42 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 120.505 -0.478 . . . . 39.44 111.503 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.61 -41.0 80.4 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.899 -1.12 . . . . 33.02 111.962 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLU . . . . . 0.497 ' OE1' ' HA ' ' B' ' 60' ' ' VAL . 21.3 mt-10 -65.69 -28.82 69.35 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 119.256 -0.978 . . . . 49.71 111.666 -179.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -77.28 -49.01 15.97 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 105.552 -2.018 . . . . 35.91 105.552 -175.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.6 -53.14 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 106.287 -1.746 . . . . 41.5 106.287 -169.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.53 -51.56 41.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 C-N-CA 119.899 -0.72 . . . . 48.53 111.117 -176.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ARG . . . . . 0.733 ' HG2' ' CD1' ' A' ' 78' ' ' PHE . 43.4 mtp180 -52.51 -39.34 61.21 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.991 0.367 . . . . 63.22 111.991 -179.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -71.66 -41.4 68.77 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.778 1.399 . . . . 61.56 114.778 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.62 83.83 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.712 -0.847 . . . . 47.14 108.712 179.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.5 t -67.82 -43.13 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 CA-C-N 114.544 -1.207 . . . . 47.17 109.901 -176.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.0 m -57.92 -49.59 76.23 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 118.737 -0.649 . . . . 54.01 109.723 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.41 -37.72 88.37 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 114.762 1.393 . . . . 86.88 114.762 175.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' THR . . . . . 0.405 ' OG1' HG22 ' B' ' 81' ' ' VAL . 9.4 m -50.12 -61.51 2.11 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.093 -1.077 . . . . 59.71 108.093 170.575 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -52.62 -44.45 66.05 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.686 1.241 . . . . 68.93 110.748 -175.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -57.01 -45.69 82.86 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 112.347 0.499 . . . . 80.11 112.347 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.24 9.38 1.01 Allowed 'General case' 0 C--O 1.247 0.941 0 N-CA-C 114.782 1.401 . . . . 67.54 114.782 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . . . 62.83 20.25 12.04 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.844 1.794 . . . . 63.58 115.844 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -98.32 172.76 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.598 0.713 . . . . 77.52 112.263 176.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . . . -133.96 24.97 3.94 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.996 -1.113 . . . . 70.11 107.996 -179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 8.2 m -142.35 109.58 5.6 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 114.951 -1.022 . . . . 74.19 110.653 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' VAL . . . . . 0.405 HG22 ' OG1' ' B' ' 73' ' ' THR . 69.4 t -67.93 119.75 14.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.266 -1.334 . . . . 64.49 109.693 -177.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -94.59 -178.4 4.54 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.822 0.675 . . . . 75.29 112.822 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.81 -24.12 38.73 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.332 -0.849 . . . . 75.58 112.688 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -80.41 -23.64 40.23 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 119.652 -0.819 . . . . 91.69 110.798 171.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.12 -47.66 81.85 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.524 0.515 . . . . 71.22 111.515 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.63 -50.41 79.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 C-N-CA 123.783 0.833 . . . . 61.71 110.188 175.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.22 -27.73 20.43 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 C-N-CA 124.93 1.292 . . . . 70.2 113.967 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -73.52 -45.82 51.5 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.584 -0.895 . . . . 80.45 108.584 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.17 73.53 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.257 0.348 . . . . 62.77 110.496 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.14 -50.75 64.81 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.937 0.347 . . . . 62.93 111.937 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt . . . . . 0 CA--C 1.549 0.919 0 CA-C-O 122.402 1.096 . . . . 77.18 112.153 161.95 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' SO4 . . . . . 0.528 ' O1 ' HG22 ' A' ' 119' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . 0.541 ' O ' ' NH1' ' A' ' 131' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . 0.929 ' O ' ' HD3' ' B' ' 36' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . 0.771 ' O ' ' HA3' ' B' ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.416 ' O ' ' NH2' ' B' ' 40' ' ' ARG . 1.3 t60 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 121.192 0.52 . . . . 77.260000000000005 112.209 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.541 HD23 ' CD ' ' A' ' 95' ' ' GLN . 9.1 mp -84.25 130.15 34.84 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 113.655 0.983 . . . . 68.640000000000001 113.655 -168.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -100.89 -17.23 16.93 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 114.883 -1.053 . . . . 65.019999999999996 110.857 -170.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.3 mt -96.51 138.79 20.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 105.72 -1.955 . . . . 62.5 105.72 171.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . . . -60.52 134.77 57.4 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 120.494 -0.482 . . . . 69.629999999999995 109.713 174.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 68' ' ' SER . 48.9 mttt -57.3 -31.37 65.58 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.489 1.292 . . . . 78.709999999999994 114.489 -177.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -79.0 -57.51 0.76 Allowed Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 117.749 0.25 . . . . 69.299999999999997 111.582 -174.665 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 65' ' ' LEU . 43.3 Cg_exo -45.9 -42.47 20.17 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 117.695 -1.07 . . . . 70.829999999999998 114.7 167.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -65.83 -18.9 65.66 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.247 1.203 . . . . 47.859999999999999 114.247 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER -96.35 -38.37 10.1 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.015 -0.735 . . . . 56.439999999999998 109.015 -169.892 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -58.8 -55.76 30.92 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.101 -1.444 . . . . 73.040000000000006 107.101 173.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.1 tp -46.21 -63.51 0.97 Allowed 'General case' 0 C--O 1.253 1.248 0 C-N-CA 122.87 0.468 . . . . 47.990000000000002 110.943 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.03 14.65 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 115.665 -0.698 . . . . 43.0 111.511 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -67.51 -42.59 82.57 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.722 -0.844 . . . . 48.130000000000003 108.722 -176.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.65 -38.64 85.5 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.459 0.647 . . . . 67.349999999999994 110.132 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.1 mt -69.22 -45.2 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 CA-C-N 114.153 -1.385 . . . . 45.789999999999999 108.071 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.6 t -66.2 -45.25 81.44 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.107 -1.071 . . . . 47.479999999999997 108.107 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.0 t -64.13 -30.01 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 113.528 0.936 . . . . 49.189999999999998 113.528 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -78.61 -16.19 57.66 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.726 -0.842 . . . . 57.840000000000003 108.726 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.733 ' CD1' ' HG2' ' B' ' 67' ' ' ARG . 58.7 t80 -93.42 -52.08 4.68 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.768 -0.651 . . . . 41.630000000000003 110.642 175.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.6 p -73.29 -41.08 64.0 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 119.615 -0.231 . . . . 45.25 110.801 -177.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.675 HH21 ' HA ' ' A' ' 78' ' ' PHE . 2.6 ttm180 71.31 17.86 5.78 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.549 0.531 . . . . 60.609999999999999 111.799 163.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.94 -27.4 0.92 Allowed Glycine 0 C--O 1.223 -0.592 0 CA-C-N 116.139 -0.482 . . . . 56.039999999999999 112.848 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.09 128.46 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 107.812 -1.181 . . . . 55.219999999999999 107.812 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -91.63 123.56 35.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.59 -2.004 . . . . 72.920000000000002 105.59 -168.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -124.45 150.87 45.21 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.865 0.728 . . . . 56.75 111.003 170.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -101.21 151.59 21.67 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 108.207 -1.035 . . . . 85.469999999999999 108.207 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -115.2 119.15 35.39 Favored 'General case' 0 CA--C 1.509 -0.596 0 O-C-N 123.394 0.434 . . . . 81.590000000000003 111.059 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -56.1 139.01 48.55 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.654 -0.869 . . . . 63.880000000000003 108.654 168.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.17 -27.7 55.36 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 109.61 -0.515 . . . . 70.870000000000005 109.61 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -14.47 50.65 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.602 1.161 . . . . 86.25 111.337 -177.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.47 -54.02 6.62 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.146 -1.428 . . . . 59.420000000000002 107.146 173.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.26 -37.14 64.38 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 114.141 1.163 . . . . 71.459999999999994 114.141 174.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.32 -50.81 43.08 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 108.766 -0.828 . . . . 75.760000000000005 108.766 -179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.05 79.4 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.153 0.501 . . . . 57.810000000000002 111.198 -177.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.4 tp -57.72 -55.71 31.35 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.679 -1.146 . . . . 47.359999999999999 109.969 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.541 ' CD ' HD23 ' A' ' 60' ' ' LEU . 39.2 tt0 -57.84 -41.6 82.69 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.33 0.863 . . . . 47.020000000000003 113.33 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.14 -52.47 51.52 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 118.708 0.686 . . . . 65.5 109.871 173.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.55 90.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.657 -0.701 . . . . 47.539999999999999 111.344 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.13 81.57 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.975 -0.75 . . . . 44.979999999999997 108.975 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.93 -48.23 72.07 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.995 -0.682 . . . . 60.170000000000002 111.167 -177.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.89 67.51 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.723 1.264 . . . . 46.719999999999999 110.096 -172.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -78.56 -44.35 24.41 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 107.04 -1.467 . . . . 43.039999999999999 107.04 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.36 -40.78 95.56 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 120.55 -0.46 . . . . 38.649999999999999 110.446 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.424 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 42.6 t -65.06 -46.0 92.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 123.802 0.689 . . . . 38.670000000000002 111.856 -177.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -72.61 -32.83 66.26 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.9 -1.148 . . . . 44.329999999999998 107.9 179.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.76 -48.78 75.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 118.415 -0.802 . . . . 34.780000000000001 109.448 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -49.33 -39.62 32.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.813 1.783 . . . . 34.289999999999999 115.813 167.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 103' ' ' VAL . 42.5 mt-10 -71.17 -51.5 24.53 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 119.548 -0.861 . . . . 61.32 110.521 -178.293 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -53.2 -49.61 66.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.443 -0.799 . . . . 48.520000000000003 110.956 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.3 -24.28 66.31 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 111.716 0.265 . . . . 40.460000000000001 111.716 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -83.2 -37.29 23.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.749 0.656 . . . . 47.700000000000003 112.754 -176.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.3 mt -56.49 -39.52 73.4 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.294 -1.002 . . . . 45.549999999999997 108.294 167.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.705 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 5.3 mt -56.89 -54.44 46.48 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 114.412 1.264 . . . . 38.799999999999997 114.412 171.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' THR . . . . . 0.444 HG23 ' NH1' ' A' ' 118' ' ' ARG . 5.8 m -45.19 -62.93 1.06 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.059 0.544 . . . . 38.450000000000003 111.838 171.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 mt -47.38 -48.39 25.93 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 112.419 0.525 . . . . 46.549999999999997 112.419 175.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -53.45 -39.98 64.88 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 118.027 -0.987 . . . . 42.310000000000002 110.518 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.81 14.07 0.9 Allowed 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 116.261 1.949 . . . . 40.82 116.261 174.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 76.28 -11.88 11.31 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 118.047 1.979 . . . . 47.280000000000001 118.047 -175.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.444 ' NH1' HG23 ' A' ' 113' ' ' THR . 34.1 mtm105 -84.96 173.86 10.22 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.752 1.221 . . . . 46.939999999999998 111.525 -173.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.528 HG22 ' O1 ' ' A' ' 141' ' ' SO4 . 5.0 m -131.17 -4.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.692 -0.855 . . . . 51.07 108.692 176.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 51.4 m -105.86 121.51 44.22 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.721 -0.474 . . . . 45.829999999999998 109.721 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.488 HD22 HG21 ' B' ' 43' ' ' VAL . 24.4 tp -67.6 126.6 29.87 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 123.845 0.716 . . . . 37.600000000000001 109.457 179.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 123' ' ' PRO . 10.3 m-30 -111.71 149.41 40.72 Favored Pre-proline 0 N--CA 1.491 1.591 0 C-N-CA 125.258 1.423 . . . . 39.210000000000001 111.168 179.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.434 ' C ' ' O ' ' A' ' 122' ' ' PHE . 31.9 Cg_exo -49.38 -31.88 24.56 Favored 'Trans proline' 0 CA--C 1.546 1.103 1 C-N-CA 113.184 -4.077 . . . . 42.409999999999997 113.429 177.068 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -65.02 -30.69 71.68 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.294 0.952 . . . . 38.799999999999997 111.581 -176.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.39 -50.78 72.24 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 120.418 0.151 . . . . 40.920000000000002 111.051 171.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.83 -42.57 96.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 CA-C-O 119.181 -0.437 . . . . 37.829999999999998 112.061 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -68.65 -34.45 75.72 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.5 0.926 . . . . 53.770000000000003 113.5 -178.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.705 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 0.9 OUTLIER -68.12 -47.7 67.44 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.129 -2.174 . . . . 41.439999999999998 105.129 178.805 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.44 71.28 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.583 0.552 . . . . 44.479999999999997 112.245 -177.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -67.25 -31.63 72.1 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 115.926 -0.579 . . . . 66.230000000000004 109.519 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.541 ' NH1' ' O ' ' A' ' 148' ' ' HOH . 0.4 OUTLIER -73.78 -33.39 64.22 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 106.436 -1.69 . . . . 77.150000000000006 106.436 -172.967 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 mt -81.7 -24.11 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 CA-C-N 114.995 -1.002 . . . . 57.780000000000001 110.606 -177.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -74.6 -43.03 57.53 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.393 -0.523 . . . . 64.730000000000004 112.353 171.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 CA-C-N 118.149 0.431 . . . . 65.430000000000007 113.436 176.25 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.5 t30 . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 114.916 1.45 . . . . 78.969999999999999 114.916 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -72.78 -30.98 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 116.536 2.05 . . . . 65.840000000000003 116.536 -160.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -71.56 -4.1 25.06 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.058 0.456 . . . . 72.609999999999999 110.33 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.77 -2.92 90.7 Favored Glycine 0 C--N 1.336 0.559 0 CA-C-N 114.73 -1.123 . . . . 64.489999999999995 112.477 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 mm -92.61 113.92 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 107.348 -1.352 . . . . 56.43 107.348 166.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . 0.53 ' HB ' ' HD2' ' B' ' 32' ' ' PRO . 58.9 p -93.92 150.27 20.51 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 115.305 -0.861 . . . . 58.659999999999997 110.693 -158.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -41.0 -56.29 4.16 Favored Pre-proline 0 N--CA 1.441 -0.911 0 O-C-N 124.706 1.254 . . . . 56.340000000000003 111.724 171.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' B' ' 30' ' ' THR . 34.6 Cg_exo -55.62 -41.54 76.69 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 116.51 -1.86 . . . . 54.049999999999997 113.436 -178.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.41 84.36 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 120.412 -0.515 . . . . 47.890000000000001 110.334 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -65.51 -32.8 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 119.033 -1.067 . . . . 41.009999999999998 111.464 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -76.76 -35.79 57.5 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 120.026 -0.67 . . . . 48.539999999999999 111.859 -178.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.929 ' HD3' ' O ' ' B' ' 114' ' ' HOH . 88.9 mtm-85 -62.68 -47.9 81.63 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 109.611 -0.514 . . . . 60.859999999999999 109.611 176.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 mt -54.89 -47.63 74.06 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.14 0.976 . . . . 47.969999999999999 110.393 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.96 95.93 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 118.803 -1.159 . . . . 47.130000000000003 110.947 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.876 HH11 ' HG3' ' B' ' 39' ' ' ARG . 0.8 OUTLIER -61.81 -46.6 88.82 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 108.118 -1.068 . . . . 63.030000000000001 108.118 -178.415 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.416 ' NH2' ' O ' ' A' ' 59' ' ' HIS . 1.7 ttm180 -61.51 -32.3 72.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.869 -1.06 . . . . 77.849999999999994 108.369 -179.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.52 1.57 65.82 Favored Glycine 0 N--CA 1.465 0.569 0 N-CA-C 114.937 0.735 . . . . 49.640000000000001 114.937 175.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.81 -3.04 87.65 Favored Glycine 0 N--CA 1.463 0.491 0 CA-C-O 119.576 -0.569 . . . . 50.25 114.238 174.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.488 HG21 HD22 ' A' ' 121' ' ' LEU . 40.0 t -64.07 137.39 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.71 -0.848 . . . . 50.609999999999999 108.71 178.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -101.12 -55.49 2.54 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.812 -1.155 . . . . 65.459999999999994 110.36 -173.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . . . -118.2 157.76 26.37 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.193 0.933 . . . . 50.340000000000003 109.621 168.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.466 HG22 HG11 ' B' ' 43' ' ' VAL . 9.2 pt -139.01 152.3 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 121.875 -0.516 . . . . 41.939999999999998 111.747 -179.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.9 t -75.29 142.5 43.28 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 122.033 0.92 . . . . 37.420000000000002 109.592 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.96 -25.8 0.08 OUTLIER Glycine 0 C--N 1.31 -0.871 0 C-N-CA 119.911 -1.137 . . . . 37.789999999999999 114.581 165.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mt -89.25 -10.82 45.49 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 118.903 1.352 . . . . 36.030000000000001 112.165 -171.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 9.2 mm -51.96 -46.98 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 O-C-N 123.49 0.493 . . . . 36.359999999999999 111.108 169.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -44.16 -63.74 0.81 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 119.118 -0.467 . . . . 39.07 110.656 -176.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.14 -35.59 80.89 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.48 0.548 . . . . 57.630000000000003 112.48 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -57.46 -47.1 82.76 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 119.604 -0.838 . . . . 59.18 108.96 174.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 48.8 m -66.76 -36.42 82.38 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.395 1.093 . . . . 41.409999999999997 111.241 -173.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -60.82 -36.47 79.17 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.106 1.15 . . . . 47.890000000000001 114.106 171.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.771 ' HA3' ' O ' ' B' ' 116' ' ' HOH . . . -67.07 -45.04 86.16 Favored Glycine 0 N--CA 1.472 1.094 0 N-CA-C 108.29 -1.924 . . . . 35.299999999999997 108.29 -178.717 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.7 t -58.04 -53.8 40.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 C-N-CA 127.218 2.207 . . . . 36.170000000000002 108.663 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.2 -39.22 93.52 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 115.181 1.549 . . . . 33.93 115.181 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . . . -57.65 -51.93 67.51 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 121.432 1.924 . . . . 30.699999999999999 112.368 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.497 ' HA ' ' OE1' ' B' ' 63' ' ' GLU . 75.5 t -53.21 -55.63 11.72 Favored 'Isoleucine or valine' 0 C--O 1.269 2.08 0 C-N-CA 124.642 1.177 . . . . 35.149999999999999 112.182 175.8 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -54.52 -51.35 65.42 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 120.505 -0.478 . . . . 39.439999999999998 111.503 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.61 -41.0 80.4 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.899 -1.12 . . . . 33.020000000000003 111.962 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.497 ' OE1' ' HA ' ' B' ' 60' ' ' VAL . 21.3 mt-10 -65.69 -28.82 69.35 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 119.256 -0.978 . . . . 49.710000000000001 111.666 -179.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -77.28 -49.01 15.97 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 105.552 -2.018 . . . . 35.909999999999997 105.552 -175.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.6 -53.14 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 106.287 -1.746 . . . . 41.5 106.287 -169.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.53 -51.56 41.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 C-N-CA 119.899 -0.72 . . . . 48.530000000000001 111.117 -176.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.733 ' HG2' ' CD1' ' A' ' 78' ' ' PHE . 43.4 mtp180 -52.51 -39.34 61.21 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.991 0.367 . . . . 63.219999999999999 111.991 -179.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -71.66 -41.4 68.77 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.778 1.399 . . . . 61.560000000000002 114.778 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.62 83.83 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.712 -0.847 . . . . 47.140000000000001 108.712 179.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.5 t -67.82 -43.13 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 CA-C-N 114.544 -1.207 . . . . 47.170000000000002 109.901 -176.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.0 m -57.92 -49.59 76.23 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 118.737 -0.649 . . . . 54.009999999999998 109.723 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.41 -37.72 88.37 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 114.762 1.393 . . . . 86.879999999999995 114.762 175.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' THR . . . . . 0.405 ' OG1' HG22 ' B' ' 81' ' ' VAL . 9.4 m -50.12 -61.51 2.11 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.093 -1.077 . . . . 59.710000000000001 108.093 170.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -52.62 -44.45 66.05 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.686 1.241 . . . . 68.930000000000007 110.748 -175.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -57.01 -45.69 82.86 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 112.347 0.499 . . . . 80.109999999999999 112.347 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.24 9.38 1.01 Allowed 'General case' 0 C--O 1.247 0.941 0 N-CA-C 114.782 1.401 . . . . 67.540000000000006 114.782 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . . . 62.83 20.25 12.04 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.844 1.794 . . . . 63.579999999999998 115.844 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -98.32 172.76 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.598 0.713 . . . . 77.519999999999996 112.263 176.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . . . -133.96 24.97 3.94 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.996 -1.113 . . . . 70.109999999999999 107.996 -179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 8.2 m -142.35 109.58 5.6 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 114.951 -1.022 . . . . 74.189999999999998 110.653 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.405 HG22 ' OG1' ' B' ' 73' ' ' THR . 69.4 t -67.93 119.75 14.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.266 -1.334 . . . . 64.489999999999995 109.693 -177.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -94.59 -178.4 4.54 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.822 0.675 . . . . 75.290000000000006 112.822 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.81 -24.12 38.73 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.332 -0.849 . . . . 75.579999999999998 112.688 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -80.41 -23.64 40.23 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 119.652 -0.819 . . . . 91.689999999999998 110.798 171.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.12 -47.66 81.85 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.524 0.515 . . . . 71.219999999999999 111.515 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.63 -50.41 79.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 C-N-CA 123.783 0.833 . . . . 61.710000000000001 110.188 175.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.22 -27.73 20.43 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 C-N-CA 124.93 1.292 . . . . 70.200000000000003 113.967 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -73.52 -45.82 51.5 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.584 -0.895 . . . . 80.450000000000003 108.584 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.17 73.53 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.257 0.348 . . . . 62.770000000000003 110.496 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.14 -50.75 64.81 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.937 0.347 . . . . 62.93 111.937 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt . . . . . 0 CA--C 1.549 0.919 0 CA-C-O 122.402 1.096 . . . . 77.180000000000007 112.153 161.95 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' SO4 . . . . . 0.528 ' O1 ' HG22 ' A' ' 119' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . 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. . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . 0.541 ' O ' ' NH1' ' A' ' 131' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_