data_1zx3_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 1zx3 _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 ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.274 0 N-CA-C 112.831 0.678 . . . . 77.719999999999999 112.831 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.55 87.1 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 117.482 2.401 . . . . 70.530000000000001 117.482 -166.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.13 135.3 57.02 Favored 'General case' 0 C--O 1.252 1.211 0 C-N-CA 124.9 1.28 . . . . 72.640000000000001 113.758 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.97 152.4 79.72 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 107.974 -1.121 . . . . 67.420000000000002 107.974 176.338 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -65.44 152.15 82.81 Favored 'Trans proline' 0 CA--C 1.546 1.11 0 C-N-CA 117.661 -1.093 . . . . 56.079999999999998 109.461 162.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -54.37 141.99 51.26 Favored Pre-proline 0 CA--C 1.512 -0.51 0 N-CA-C 113.181 0.808 . . . . 51.299999999999997 113.181 173.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -69.11 154.21 70.67 Favored 'Trans proline' 0 CA--C 1.512 -0.61 0 C-N-CA 115.012 -2.859 . . . . 49.200000000000003 107.364 168.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' MSE . . . . . . . . . . . . . 78.6 mmm -43.82 -51.67 7.23 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 124.222 0.951 . . . . 68.189999999999998 110.971 174.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -126.0 149.38 48.86 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 109.567 -0.531 . . . . 50.600000000000001 109.567 -174.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -150.71 177.36 10.15 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 119.082 -1.047 . . . . 51.969999999999999 113.071 165.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -80.16 136.96 36.61 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 118.438 -1.305 . . . . 47.200000000000003 107.998 177.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -108.77 138.12 45.6 Favored 'General case' 0 C--O 1.244 0.805 0 O-C-N 125.11 1.506 . . . . 42.689999999999998 110.758 171.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -127.84 125.26 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.804 0 CA-C-N 113.781 -1.554 . . . . 38.979999999999997 108.807 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' MSE . . . . . . . . . . . . . 36.8 tpp -112.95 110.79 21.1 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 103.753 -2.684 . . . . 48.810000000000002 103.753 174.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.0 141.92 50.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.416 1.265 . . . . 58.039999999999999 114.416 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.4 t30 53.34 54.7 9.78 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 124.975 1.422 . . . . 54.030000000000001 109.593 165.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MSE . . . . . . . . . . . . . 5.8 ttt -97.83 146.23 25.62 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 115.826 -0.625 . . . . 47.229999999999997 110.16 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -56.13 124.33 17.5 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 114.238 1.199 . . . . 45.909999999999997 114.238 177.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.3 m -59.77 -49.22 78.57 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 117.066 2.247 . . . . 34.960000000000001 117.066 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.93 -50.15 6.12 Favored Glycine 0 C--O 1.256 1.488 0 CA-C-N 118.606 0.639 . . . . 33.659999999999997 113.341 170.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.45 -35.24 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 122.08 -0.659 . . . . 33.219999999999999 110.38 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.0 mt -55.0 -51.6 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 108.222 -1.029 . . . . 34.329999999999998 108.222 174.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -59.03 -48.48 81.46 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 114.005 1.113 . . . . 39.289999999999999 114.005 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.81 -49.35 39.35 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.102 -0.998 . . . . 35.979999999999997 112.526 171.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.1 tp -70.1 -46.62 64.47 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 118.589 -0.719 . . . . 39.689999999999998 111.782 -174.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -59.68 -39.1 83.37 Favored 'General case' 0 CA--C 1.503 -0.865 0 CA-C-N 119.457 1.026 . . . . 54.719999999999999 112.095 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -57.26 -51.2 70.32 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 114.002 1.112 . . . . 39.909999999999997 114.002 171.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -57.3 -48.36 79.13 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.642 -1.163 . . . . 42.079999999999998 109.979 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -58.11 -51.05 71.3 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.19 0.996 . . . . 37.920000000000002 111.515 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -55.86 -45.33 78.52 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.562 -1.199 . . . . 50.5 109.747 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.03 81.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 123.923 0.764 . . . . 42.149999999999999 110.369 177.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -66.46 -36.03 81.75 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 124.059 0.849 . . . . 53.270000000000003 110.463 -174.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -78.46 -31.44 47.93 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.251 0.463 . . . . 46.060000000000002 112.251 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -65.79 -37.4 86.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 114.334 1.235 . . . . 57.799999999999997 114.334 168.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -80.68 -3.77 51.88 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 113.774 1.027 . . . . 57.020000000000003 113.774 -179.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.42 -24.3 1.81 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 113.186 0.81 . . . . 49.32 113.186 -157.472 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.46 -3.37 11.72 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 117.333 1.693 . . . . 50.399999999999999 117.333 -172.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -85.1 145.57 27.58 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.114 1.524 . . . . 58.640000000000001 115.114 -176.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.18 145.07 27.4 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 122.248 1.023 . . . . 68.019999999999996 112.179 174.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.6 mm -51.13 -53.34 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 126.686 1.994 . . . . 51.490000000000002 110.8 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.7 p -63.25 -33.04 74.64 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.832 0.679 . . . . 45.82 112.832 -174.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -67.79 -47.65 68.54 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.849 1.796 . . . . 49.810000000000002 115.849 168.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.8 -40.35 60.95 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.712 0 N-CA-C 108.741 -0.837 . . . . 39.340000000000003 108.741 174.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -73.21 -56.3 5.28 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 123.879 0.737 . . . . 38.140000000000001 111.414 -172.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.26 -50.24 16.28 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 122.318 1.056 . . . . 40.850000000000001 109.698 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.53 -39.03 93.02 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 119.099 -1.04 . . . . 53.939999999999998 111.03 -174.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.72 89.13 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-O 121.655 0.741 . . . . 41.369999999999997 109.464 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.07 -34.91 69.33 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.898 0 C-N-CA 118.806 -1.157 . . . . 42.520000000000003 110.548 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . 0.29 0.0 OUTLIER -93.66 -33.63 13.59 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 115.285 -2.566 . . . . 58.350000000000001 113.561 -168.858 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -73.0 -59.07 2.88 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.505 1.298 . . . . 54.590000000000003 114.505 166.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -76.93 -25.32 52.75 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 118.176 -1.409 . . . . 51.299999999999997 114.4 -168.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mt -105.3 -64.1 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.876 0 O-C-N 124.392 1.057 . . . . 41.960000000000001 112.005 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.19 -40.65 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 C-N-CA 116.498 -2.081 . . . . 42.640000000000001 112.616 -170.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 tp -65.98 -47.97 72.79 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 119.617 -0.833 . . . . 44.43 109.611 -175.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -47.12 74.95 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 124.65 1.219 . . . . 55.270000000000003 112.182 177.786 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -80.19 -36.25 35.2 Favored 'General case' 0 C--O 1.2 -1.549 0 N-CA-C 116.123 1.897 . . . . 52.560000000000002 116.123 -178.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -97.77 -23.48 15.88 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.107 1.151 . . . . 45.450000000000003 114.107 -176.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.26 164.32 27.68 Favored Glycine 0 C--O 1.221 -0.684 0 C-N-CA 120.195 -1.003 . . . . 44.990000000000002 113.189 -171.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -23.61 65.63 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 112.885 0.698 . . . . 58.539999999999999 112.885 -166.599 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.86 -55.4 5.18 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 124.257 0.973 . . . . 55.509999999999998 113.303 -172.311 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -64.9 -33.51 76.19 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 121.442 0.639 . . . . 62.020000000000003 110.215 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -47.34 86.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.631 -0.668 . . . . 53.460000000000001 109.886 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -67.55 -35.39 78.97 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.247 -1.02 . . . . 58.920000000000002 108.247 -175.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -68.79 -38.14 79.77 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.893 -0.723 . . . . 58.789999999999999 112.026 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.9 m -66.53 -52.45 45.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.765 -0.828 . . . . 47.520000000000003 108.765 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -50.07 -44.62 51.88 Favored 'General case' 0 CA--C 1.49 -1.331 0 C-N-CA 125.008 1.323 . . . . 45.280000000000001 110.451 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.4 m -64.61 -47.98 76.61 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 123.919 0.762 . . . . 44.770000000000003 110.451 -177.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -52.49 -41.96 63.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.195 -0.911 . . . . 67.640000000000001 110.69 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -68.77 -52.7 27.58 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.82 -0.752 . . . . 41.859999999999999 110.211 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -46.79 -43.89 18.69 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.484 -0.78 . . . . 58.840000000000003 109.778 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -60.71 -56.58 19.54 Favored 'General case' 0 C--O 1.251 1.153 0 N-CA-C 113.046 0.758 . . . . 52.100000000000001 113.046 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -55.21 -41.28 71.8 Favored 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 108.684 -0.858 . . . . 62.530000000000001 108.684 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -67.4 -36.39 81.19 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.359 1.037 . . . . 46.490000000000002 109.418 -171.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.2 ttm-85 -66.86 -43.12 84.43 Favored 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 118.176 -0.916 . . . . 64.010000000000005 109.591 -179.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -45.43 94.26 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 118.764 -1.175 . . . . 65.519999999999996 112.316 175.79 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.42 -36.62 78.57 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.633 0.583 . . . . 48.890000000000001 109.922 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -72.07 -39.47 68.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 108.112 -1.07 . . . . 62.240000000000002 108.112 -174.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -64.85 -46.41 82.0 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 122.091 -0.381 . . . . 59.159999999999997 111.806 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.8 m -60.5 -35.19 75.35 Favored 'General case' 0 C--O 1.25 1.117 0 N-CA-C 113.444 0.905 . . . . 49.600000000000001 113.444 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -75.2 -38.61 60.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.069 -0.969 . . . . 50.159999999999997 110.914 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.3 mt -67.18 -44.63 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 116.427 -0.351 . . . . 55.390000000000001 110.934 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.6 -47.66 77.79 Favored 'General case' 0 C--O 1.25 1.097 0 C-N-CA 118.369 -1.332 . . . . 64.379999999999995 110.753 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -50.62 -41.31 54.85 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 118.744 -1.182 . . . . 57.869999999999997 110.576 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -93.8 -0.5 55.81 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 120.904 3.668 . . . . 61.770000000000003 120.904 -167.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.529 0.7 OUTLIER -89.79 38.07 0.9 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 112.448 -3.701 . . . . 69.480000000000004 116.209 168.31 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.027 0 CA-C-N 114.322 -1.308 . . . . 77.659999999999997 112.425 -170.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.274 0 N-CA-C 112.831 0.678 . . . . 77.719999999999999 112.831 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.55 87.1 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 117.482 2.401 . . . . 70.530000000000001 117.482 -166.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.13 135.3 57.02 Favored 'General case' 0 C--O 1.252 1.211 0 C-N-CA 124.9 1.28 . . . . 72.640000000000001 113.758 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -77.97 152.4 79.72 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 107.974 -1.121 . . . . 67.420000000000002 107.974 176.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -65.44 152.15 82.81 Favored 'Trans proline' 0 CA--C 1.546 1.11 0 C-N-CA 117.661 -1.093 . . . . 56.079999999999998 109.461 162.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -54.37 141.99 51.26 Favored Pre-proline 0 CA--C 1.512 -0.51 0 N-CA-C 113.181 0.808 . . . . 51.299999999999997 113.181 173.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -69.11 154.21 70.67 Favored 'Trans proline' 0 CA--C 1.512 -0.61 0 C-N-CA 115.012 -2.859 . . . . 49.200000000000003 107.364 168.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' MSE . . . . . . . . . . . . . 78.6 mmm -43.82 -51.67 7.23 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 124.222 0.951 . . . . 68.189999999999998 110.971 174.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -126.0 149.38 48.86 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 109.567 -0.531 . . . . 50.600000000000001 109.567 -174.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -150.71 177.36 10.15 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 119.082 -1.047 . . . . 51.969999999999999 113.071 165.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -80.16 136.96 36.61 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 118.438 -1.305 . . . . 47.200000000000003 107.998 177.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -108.77 138.12 45.6 Favored 'General case' 0 C--O 1.244 0.805 0 O-C-N 125.11 1.506 . . . . 42.689999999999998 110.758 171.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -127.84 125.26 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.804 0 CA-C-N 113.781 -1.554 . . . . 38.979999999999997 108.807 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MSE . . . . . . . . . . . . . 36.8 tpp -112.95 110.79 21.1 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 103.753 -2.684 . . . . 48.810000000000002 103.753 174.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.0 141.92 50.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.416 1.265 . . . . 58.039999999999999 114.416 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.4 t30 53.34 54.7 9.78 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 124.975 1.422 . . . . 54.030000000000001 109.593 165.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MSE . . . . . . . . . . . . . 5.8 ttt -97.83 146.23 25.62 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 115.826 -0.625 . . . . 47.229999999999997 110.16 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -56.13 124.33 17.5 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 114.238 1.199 . . . . 45.909999999999997 114.238 177.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.3 m -59.77 -49.22 78.57 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 117.066 2.247 . . . . 34.960000000000001 117.066 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.93 -50.15 6.12 Favored Glycine 0 C--O 1.256 1.488 0 CA-C-N 118.606 0.639 . . . . 33.659999999999997 113.341 170.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.45 -35.24 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 122.08 -0.659 . . . . 33.219999999999999 110.38 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . 0.43 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 21.0 mt -55.0 -51.6 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 108.222 -1.029 . . . . 34.329999999999998 108.222 174.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -59.03 -48.48 81.46 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 114.005 1.113 . . . . 39.289999999999999 114.005 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -48.81 -49.35 39.35 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.102 -0.998 . . . . 35.979999999999997 112.526 171.98 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.1 tp -70.1 -46.62 64.47 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 118.589 -0.719 . . . . 39.689999999999998 111.782 -174.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 3.5 mm-40 -59.68 -39.1 83.37 Favored 'General case' 0 CA--C 1.503 -0.865 0 CA-C-N 119.457 1.026 . . . . 54.719999999999999 112.095 177.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -57.26 -51.2 70.32 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 114.002 1.112 . . . . 39.909999999999997 114.002 171.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -57.3 -48.36 79.13 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.642 -1.163 . . . . 42.079999999999998 109.979 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . 0.585 ' HB3' HD12 ' A' ' 49' ' ' ILE . 92.3 mt -58.11 -51.05 71.3 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.19 0.996 . . . . 37.920000000000002 111.515 -178.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -55.86 -45.33 78.52 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.562 -1.199 . . . . 50.5 109.747 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.03 81.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 123.923 0.764 . . . . 42.149999999999999 110.369 177.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . 0.818 ' O ' ' HB ' ' A' ' 45' ' ' THR . 2.6 mmtm -66.46 -36.03 81.75 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 124.059 0.849 . . . . 53.270000000000003 110.463 -174.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -78.46 -31.44 47.93 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.251 0.463 . . . . 46.060000000000002 112.251 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -65.79 -37.4 86.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 114.334 1.235 . . . . 57.799999999999997 114.334 168.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -80.68 -3.77 51.88 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 113.774 1.027 . . . . 57.020000000000003 113.774 -179.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . 0.827 HG22 ' H ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -133.42 -24.3 1.81 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 113.186 0.81 . . . . 49.32 113.186 -157.472 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.46 -3.37 11.72 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 117.333 1.693 . . . . 50.399999999999999 117.333 -172.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . 0.827 ' H ' HG22 ' A' ' 45' ' ' THR . 8.4 mtmm -85.1 145.57 27.58 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.114 1.524 . . . . 58.640000000000001 115.114 -176.523 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.18 145.07 27.4 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 122.248 1.023 . . . . 68.019999999999996 112.179 174.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . 0.585 HD12 ' HB3' ' A' ' 38' ' ' LEU . 28.6 mm -51.13 -53.34 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 126.686 1.994 . . . . 51.490000000000002 110.8 175.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.7 p -63.25 -33.04 74.64 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.832 0.679 . . . . 45.82 112.832 -174.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -67.79 -47.65 68.54 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.849 1.796 . . . . 49.810000000000002 115.849 168.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.8 -40.35 60.95 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.712 0 N-CA-C 108.741 -0.837 . . . . 39.340000000000003 108.741 174.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -73.21 -56.3 5.28 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 123.879 0.737 . . . . 38.140000000000001 111.414 -172.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.26 -50.24 16.28 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 122.318 1.056 . . . . 40.850000000000001 109.698 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.53 -39.03 93.02 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 119.099 -1.04 . . . . 53.939999999999998 111.03 -174.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.72 89.13 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-O 121.655 0.741 . . . . 41.369999999999997 109.464 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.07 -34.91 69.33 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.898 0 C-N-CA 118.806 -1.157 . . . . 42.520000000000003 110.548 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . 0.29 0.0 OUTLIER -93.66 -33.63 13.59 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 115.285 -2.566 . . . . 58.350000000000001 113.561 -168.858 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -73.0 -59.07 2.88 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.505 1.298 . . . . 54.590000000000003 114.505 166.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -76.93 -25.32 52.75 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 118.176 -1.409 . . . . 51.299999999999997 114.4 -168.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mt -105.3 -64.1 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.876 0 O-C-N 124.392 1.057 . . . . 41.960000000000001 112.005 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.19 -40.65 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 C-N-CA 116.498 -2.081 . . . . 42.640000000000001 112.616 -170.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 tp -65.98 -47.97 72.79 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 119.617 -0.833 . . . . 44.43 109.611 -175.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE3' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -54.97 -47.12 74.95 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 124.65 1.219 . . . . 55.270000000000003 112.182 177.786 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -80.19 -36.25 35.2 Favored 'General case' 0 C--O 1.2 -1.549 0 N-CA-C 116.123 1.897 . . . . 52.560000000000002 116.123 -178.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -97.77 -23.48 15.88 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.107 1.151 . . . . 45.450000000000003 114.107 -176.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.26 164.32 27.68 Favored Glycine 0 C--O 1.221 -0.684 0 C-N-CA 120.195 -1.003 . . . . 44.990000000000002 113.189 -171.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -23.61 65.63 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 112.885 0.698 . . . . 58.539999999999999 112.885 -166.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.86 -55.4 5.18 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 124.257 0.973 . . . . 55.509999999999998 113.303 -172.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -64.9 -33.51 76.19 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 121.442 0.639 . . . . 62.020000000000003 110.215 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -47.34 86.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.631 -0.668 . . . . 53.460000000000001 109.886 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -67.55 -35.39 78.97 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.247 -1.02 . . . . 58.920000000000002 108.247 -175.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -68.79 -38.14 79.77 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.893 -0.723 . . . . 58.789999999999999 112.026 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.9 m -66.53 -52.45 45.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.765 -0.828 . . . . 47.520000000000003 108.765 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -50.07 -44.62 51.88 Favored 'General case' 0 CA--C 1.49 -1.331 0 C-N-CA 125.008 1.323 . . . . 45.280000000000001 110.451 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.4 m -64.61 -47.98 76.61 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 123.919 0.762 . . . . 44.770000000000003 110.451 -177.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -52.49 -41.96 63.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.195 -0.911 . . . . 67.640000000000001 110.69 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -68.77 -52.7 27.58 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.82 -0.752 . . . . 41.859999999999999 110.211 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -46.79 -43.89 18.69 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.484 -0.78 . . . . 58.840000000000003 109.778 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -60.71 -56.58 19.54 Favored 'General case' 0 C--O 1.251 1.153 0 N-CA-C 113.046 0.758 . . . . 52.100000000000001 113.046 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -55.21 -41.28 71.8 Favored 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 108.684 -0.858 . . . . 62.530000000000001 108.684 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -67.4 -36.39 81.19 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.359 1.037 . . . . 46.490000000000002 109.418 -171.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.2 ttm-85 -66.86 -43.12 84.43 Favored 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 118.176 -0.916 . . . . 64.010000000000005 109.591 -179.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -45.43 94.26 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 118.764 -1.175 . . . . 65.519999999999996 112.316 175.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.42 -36.62 78.57 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.633 0.583 . . . . 48.890000000000001 109.922 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -72.07 -39.47 68.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 108.112 -1.07 . . . . 62.240000000000002 108.112 -174.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -64.85 -46.41 82.0 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 122.091 -0.381 . . . . 59.159999999999997 111.806 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.8 m -60.5 -35.19 75.35 Favored 'General case' 0 C--O 1.25 1.117 0 N-CA-C 113.444 0.905 . . . . 49.600000000000001 113.444 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -75.2 -38.61 60.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.069 -0.969 . . . . 50.159999999999997 110.914 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.3 mt -67.18 -44.63 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 116.427 -0.351 . . . . 55.390000000000001 110.934 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.6 -47.66 77.79 Favored 'General case' 0 C--O 1.25 1.097 0 C-N-CA 118.369 -1.332 . . . . 64.379999999999995 110.753 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -50.62 -41.31 54.85 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 118.744 -1.182 . . . . 57.869999999999997 110.576 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -93.8 -0.5 55.81 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 120.904 3.668 . . . . 61.770000000000003 120.904 -167.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . 0.524 ' C ' ' HG2' ' A' ' 95' ' ' ARG 0.529 0.7 OUTLIER -89.79 38.07 0.9 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 112.448 -3.701 . . . . 69.480000000000004 116.209 168.31 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ARG . . . . . 0.524 ' HG2' ' C ' ' A' ' 94' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.027 0 CA-C-N 114.322 -1.308 . . . . 77.659999999999997 112.425 -170.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . 0.511 ' O ' HG12 ' A' ' 49' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.274 0 N-CA-C 112.831 0.678 . . . . 77.719999999999999 112.831 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.55 87.1 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 117.482 2.401 . . . . 70.530000000000001 117.482 -166.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.13 135.3 57.02 Favored 'General case' 0 C--O 1.252 1.211 0 C-N-CA 124.9 1.28 . . . . 72.640000000000001 113.758 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.97 152.4 79.72 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 107.974 -1.121 . . . . 67.420000000000002 107.974 176.338 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -65.44 152.15 82.81 Favored 'Trans proline' 0 CA--C 1.546 1.11 0 C-N-CA 117.661 -1.093 . . . . 56.079999999999998 109.461 162.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -54.37 141.99 51.26 Favored Pre-proline 0 CA--C 1.512 -0.51 0 N-CA-C 113.181 0.808 . . . . 51.299999999999997 113.181 173.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -69.11 154.21 70.67 Favored 'Trans proline' 0 CA--C 1.512 -0.61 0 C-N-CA 115.012 -2.859 . . . . 49.200000000000003 107.364 168.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' MSE . . . . . . . . . . . . . 78.6 mmm -43.82 -51.67 7.23 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 124.222 0.951 . . . . 68.189999999999998 110.971 174.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -126.0 149.38 48.86 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 109.567 -0.531 . . . . 50.600000000000001 109.567 -174.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -150.71 177.36 10.15 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 119.082 -1.047 . . . . 51.969999999999999 113.071 165.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -80.16 136.96 36.61 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 118.438 -1.305 . . . . 47.200000000000003 107.998 177.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -108.77 138.12 45.6 Favored 'General case' 0 C--O 1.244 0.805 0 O-C-N 125.11 1.506 . . . . 42.689999999999998 110.758 171.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -127.84 125.26 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.804 0 CA-C-N 113.781 -1.554 . . . . 38.979999999999997 108.807 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MSE . . . . . . . . . . . . . 36.8 tpp -112.95 110.79 21.1 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 103.753 -2.684 . . . . 48.810000000000002 103.753 174.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.0 141.92 50.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.416 1.265 . . . . 58.039999999999999 114.416 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.4 t30 53.34 54.7 9.78 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 124.975 1.422 . . . . 54.030000000000001 109.593 165.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MSE . . . . . . . . . . . . . 5.8 ttt -97.83 146.23 25.62 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 115.826 -0.625 . . . . 47.229999999999997 110.16 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -56.13 124.33 17.5 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 114.238 1.199 . . . . 45.909999999999997 114.238 177.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.3 m -59.77 -49.22 78.57 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 117.066 2.247 . . . . 34.960000000000001 117.066 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.93 -50.15 6.12 Favored Glycine 0 C--O 1.256 1.488 0 CA-C-N 118.606 0.639 . . . . 33.659999999999997 113.341 170.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.45 -35.24 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 122.08 -0.659 . . . . 33.219999999999999 110.38 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.43 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 21.0 mt -55.0 -51.6 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 108.222 -1.029 . . . . 34.329999999999998 108.222 174.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -59.03 -48.48 81.46 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 114.005 1.113 . . . . 39.289999999999999 114.005 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -48.81 -49.35 39.35 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.102 -0.998 . . . . 35.979999999999997 112.526 171.98 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.1 tp -70.1 -46.62 64.47 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 118.589 -0.719 . . . . 39.689999999999998 111.782 -174.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 3.5 mm-40 -59.68 -39.1 83.37 Favored 'General case' 0 CA--C 1.503 -0.865 0 CA-C-N 119.457 1.026 . . . . 54.719999999999999 112.095 177.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -57.26 -51.2 70.32 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 114.002 1.112 . . . . 39.909999999999997 114.002 171.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -57.3 -48.36 79.13 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.642 -1.163 . . . . 42.079999999999998 109.979 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.585 ' HB3' HD12 ' A' ' 49' ' ' ILE . 92.3 mt -58.11 -51.05 71.3 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.19 0.996 . . . . 37.920000000000002 111.515 -178.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -55.86 -45.33 78.52 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.562 -1.199 . . . . 50.5 109.747 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.03 81.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 123.923 0.764 . . . . 42.149999999999999 110.369 177.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.818 ' O ' ' HB ' ' A' ' 45' ' ' THR . 2.6 mmtm -66.46 -36.03 81.75 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 124.059 0.849 . . . . 53.270000000000003 110.463 -174.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -78.46 -31.44 47.93 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.251 0.463 . . . . 46.060000000000002 112.251 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -65.79 -37.4 86.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 114.334 1.235 . . . . 57.799999999999997 114.334 168.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -80.68 -3.77 51.88 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 113.774 1.027 . . . . 57.020000000000003 113.774 -179.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . 0.827 HG22 ' H ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -133.42 -24.3 1.81 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 113.186 0.81 . . . . 49.32 113.186 -157.472 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.46 -3.37 11.72 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 117.333 1.693 . . . . 50.399999999999999 117.333 -172.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.827 ' H ' HG22 ' A' ' 45' ' ' THR . 8.4 mtmm -85.1 145.57 27.58 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.114 1.524 . . . . 58.640000000000001 115.114 -176.523 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.18 145.07 27.4 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 122.248 1.023 . . . . 68.019999999999996 112.179 174.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.585 HD12 ' HB3' ' A' ' 38' ' ' LEU . 28.6 mm -51.13 -53.34 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 126.686 1.994 . . . . 51.490000000000002 110.8 175.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.7 p -63.25 -33.04 74.64 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.832 0.679 . . . . 45.82 112.832 -174.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -67.79 -47.65 68.54 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.849 1.796 . . . . 49.810000000000002 115.849 168.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.8 -40.35 60.95 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.712 0 N-CA-C 108.741 -0.837 . . . . 39.340000000000003 108.741 174.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -73.21 -56.3 5.28 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 123.879 0.737 . . . . 38.140000000000001 111.414 -172.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.26 -50.24 16.28 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 122.318 1.056 . . . . 40.850000000000001 109.698 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.53 -39.03 93.02 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 119.099 -1.04 . . . . 53.939999999999998 111.03 -174.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.72 89.13 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-O 121.655 0.741 . . . . 41.369999999999997 109.464 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.07 -34.91 69.33 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.898 0 C-N-CA 118.806 -1.157 . . . . 42.520000000000003 110.548 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . 0.29 0.0 OUTLIER -93.66 -33.63 13.59 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 115.285 -2.566 . . . . 58.350000000000001 113.561 -168.858 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -73.0 -59.07 2.88 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.505 1.298 . . . . 54.590000000000003 114.505 166.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -76.93 -25.32 52.75 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 118.176 -1.409 . . . . 51.299999999999997 114.4 -168.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mt -105.3 -64.1 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.876 0 O-C-N 124.392 1.057 . . . . 41.960000000000001 112.005 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.19 -40.65 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 C-N-CA 116.498 -2.081 . . . . 42.640000000000001 112.616 -170.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 tp -65.98 -47.97 72.79 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 119.617 -0.833 . . . . 44.43 109.611 -175.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE3' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -54.97 -47.12 74.95 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 124.65 1.219 . . . . 55.270000000000003 112.182 177.786 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -80.19 -36.25 35.2 Favored 'General case' 0 C--O 1.2 -1.549 0 N-CA-C 116.123 1.897 . . . . 52.560000000000002 116.123 -178.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -97.77 -23.48 15.88 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.107 1.151 . . . . 45.450000000000003 114.107 -176.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.26 164.32 27.68 Favored Glycine 0 C--O 1.221 -0.684 0 C-N-CA 120.195 -1.003 . . . . 44.990000000000002 113.189 -171.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -23.61 65.63 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 112.885 0.698 . . . . 58.539999999999999 112.885 -166.599 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.86 -55.4 5.18 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 124.257 0.973 . . . . 55.509999999999998 113.303 -172.311 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -64.9 -33.51 76.19 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 121.442 0.639 . . . . 62.020000000000003 110.215 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -47.34 86.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.631 -0.668 . . . . 53.460000000000001 109.886 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -67.55 -35.39 78.97 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.247 -1.02 . . . . 58.920000000000002 108.247 -175.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -68.79 -38.14 79.77 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.893 -0.723 . . . . 58.789999999999999 112.026 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.9 m -66.53 -52.45 45.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.765 -0.828 . . . . 47.520000000000003 108.765 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -50.07 -44.62 51.88 Favored 'General case' 0 CA--C 1.49 -1.331 0 C-N-CA 125.008 1.323 . . . . 45.280000000000001 110.451 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.4 m -64.61 -47.98 76.61 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 123.919 0.762 . . . . 44.770000000000003 110.451 -177.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -52.49 -41.96 63.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.195 -0.911 . . . . 67.640000000000001 110.69 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -68.77 -52.7 27.58 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.82 -0.752 . . . . 41.859999999999999 110.211 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -46.79 -43.89 18.69 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.484 -0.78 . . . . 58.840000000000003 109.778 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -60.71 -56.58 19.54 Favored 'General case' 0 C--O 1.251 1.153 0 N-CA-C 113.046 0.758 . . . . 52.100000000000001 113.046 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -55.21 -41.28 71.8 Favored 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 108.684 -0.858 . . . . 62.530000000000001 108.684 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -67.4 -36.39 81.19 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.359 1.037 . . . . 46.490000000000002 109.418 -171.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.2 ttm-85 -66.86 -43.12 84.43 Favored 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 118.176 -0.916 . . . . 64.010000000000005 109.591 -179.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -45.43 94.26 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 118.764 -1.175 . . . . 65.519999999999996 112.316 175.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.42 -36.62 78.57 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.633 0.583 . . . . 48.890000000000001 109.922 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -72.07 -39.47 68.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 108.112 -1.07 . . . . 62.240000000000002 108.112 -174.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -64.85 -46.41 82.0 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 122.091 -0.381 . . . . 59.159999999999997 111.806 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.8 m -60.5 -35.19 75.35 Favored 'General case' 0 C--O 1.25 1.117 0 N-CA-C 113.444 0.905 . . . . 49.600000000000001 113.444 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -75.2 -38.61 60.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.069 -0.969 . . . . 50.159999999999997 110.914 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.3 mt -67.18 -44.63 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 116.427 -0.351 . . . . 55.390000000000001 110.934 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.6 -47.66 77.79 Favored 'General case' 0 C--O 1.25 1.097 0 C-N-CA 118.369 -1.332 . . . . 64.379999999999995 110.753 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -50.62 -41.31 54.85 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 118.744 -1.182 . . . . 57.869999999999997 110.576 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -93.8 -0.5 55.81 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 120.904 3.668 . . . . 61.770000000000003 120.904 -167.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.524 ' C ' ' HG2' ' A' ' 95' ' ' ARG 0.529 0.7 OUTLIER -89.79 38.07 0.9 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 112.448 -3.701 . . . . 69.480000000000004 116.209 168.31 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.524 ' HG2' ' C ' ' A' ' 94' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.027 0 CA-C-N 114.322 -1.308 . . . . 77.659999999999997 112.425 -170.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . 0.511 ' O ' HG12 ' A' ' 49' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_