data_4hti_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 4hti _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 ' 510' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.963 0 CA-C-O 120.921 0.391 . . . . 67.810000000000002 111.277 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' ARG . . . . . 0.715 ' NH1' ' O ' ' A' ' 634' ' ' HOH . 27.3 mtt180 -95.09 154.05 17.36 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.877 -0.601 . . . . 86.299999999999997 110.432 179.225 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' GLY . . . . . . . . . . . . . . . -98.13 162.56 20.97 Favored Glycine 0 C--O 1.194 -2.404 0 N-CA-C 106.214 -2.754 . . . . 36.520000000000003 106.214 167.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -148.88 154.48 39.52 Favored 'General case' 0 C--O 1.186 -2.251 0 C-N-CA 123.154 0.581 . . . . 32.549999999999997 110.752 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 77.8 mt -134.74 123.33 41.25 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.018 0 N-CA-C 105.82 -1.918 . . . . 32.439999999999998 105.82 173.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 27.4 t -94.22 129.96 43.79 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.382 0 CA-C-N 118.749 0.704 . . . . 33.18 110.74 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 9.1 p -110.43 177.52 4.67 Favored 'General case' 0 C--O 1.198 -1.626 0 N-CA-C 112.5 0.555 . . . . 34.140000000000001 112.5 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -92.98 9.97 33.35 Favored 'General case' 0 C--O 1.192 -1.941 0 O-C-N 124.145 0.903 . . . . 49.149999999999999 111.829 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -102.51 137.88 40.16 Favored 'General case' 0 C--O 1.191 -2.0 0 CA-C-O 119.269 -0.396 . . . . 79.890000000000001 110.141 175.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -155.65 117.75 2.33 Favored Pre-proline 0 N--CA 1.498 1.942 0 C-N-CA 119.027 -1.069 . . . . 42.18 110.372 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.95 142.42 70.14 Favored 'Cis proline' 0 C--O 1.19 -1.889 0 C-N-CA 123.187 -1.589 . . . . 45.479999999999997 111.938 -0.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 50.4 tp -69.14 126.65 30.46 Favored 'General case' 0 C--O 1.198 -1.643 0 N-CA-C 108.508 -0.923 . . . . 38.049999999999997 108.508 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 21.4 mtp-105 -67.14 141.73 96.54 Favored Pre-proline 0 C--O 1.184 -2.364 0 CA-C-O 118.378 -0.82 . . . . 79.969999999999999 111.602 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -52.69 -44.28 48.97 Favored 'Trans proline' 0 C--O 1.187 -2.051 0 CA-C-N 120.036 1.049 . . . . 48.329999999999998 112.649 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -57.7 -37.28 73.23 Favored 'General case' 0 C--O 1.197 -1.71 0 C-N-CA 124.902 1.281 . . . . 78.709999999999994 112.356 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' GLU . . . . . 0.942 ' OE1' ' NH1' ' A' ' 528' ' ' ARG . 33.0 tp10 -77.06 -37.32 54.85 Favored 'General case' 0 C--O 1.19 -2.054 0 N-CA-C 114.237 1.199 . . . . 69.579999999999998 114.237 176.692 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . -57.9 -41.22 94.09 Favored Glycine 0 C--O 1.198 -2.131 0 CA-C-N 119.055 0.843 . . . . 39.140000000000001 111.238 171.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' ARG . . . . . 1.03 ' NH2' ' O ' ' A' ' 640' ' ' HOH . 14.1 tpp180 -62.56 -44.94 95.08 Favored 'General case' 0 C--O 1.194 -1.863 0 N-CA-C 113.103 0.779 . . . . 94.579999999999998 113.103 177.561 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' ARG . . . . . 0.942 ' NH1' ' OE1' ' A' ' 525' ' ' GLU . 12.2 mtm180 -61.41 -43.86 98.14 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 121.353 0.597 . . . . 83.959999999999994 111.493 178.299 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.04 -40.0 96.41 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 113.861 1.06 . . . . 39.289999999999999 113.861 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.2 t -65.49 -39.64 85.75 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.36 0 CA-C-O 118.867 -0.587 . . . . 41.439999999999998 111.718 172.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -61.69 -40.93 96.74 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-N 118.513 0.597 . . . . 80.090000000000003 111.873 174.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -58.02 -44.09 87.09 Favored 'General case' 0 C--O 1.191 -2.005 0 C-N-CA 123.923 0.889 . . . . 50.649999999999999 112.181 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.39 -39.63 81.12 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.731 0 N-CA-C 112.038 0.385 . . . . 50.340000000000003 112.038 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.68 90.9 Favored 'General case' 0 C--O 1.191 -1.999 0 CA-C-O 120.923 0.392 . . . . 47.259999999999998 110.963 175.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -63.92 -35.06 79.44 Favored 'General case' 0 C--O 1.191 -1.984 0 O-C-N 121.255 -0.903 . . . . 93.629999999999995 112.838 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -30.51 71.1 Favored 'General case' 0 C--O 1.191 -1.984 0 CA-C-O 121.561 0.696 . . . . 69.909999999999997 111.063 178.335 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 55.6 mt -100.6 1.96 41.27 Favored 'General case' 0 C--O 1.2 -1.514 0 N-CA-C 113.518 0.933 . . . . 56.700000000000003 113.518 -175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 51.32 52.05 15.62 Favored 'General case' 0 C--O 1.205 -1.271 0 O-C-N 121.682 -0.636 . . . . 68.480000000000004 112.544 -175.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.89 146.38 57.23 Favored Pre-proline 0 C--O 1.201 -1.491 0 N-CA-C 106.944 -1.502 . . . . 49.310000000000002 106.944 168.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.97 156.29 63.16 Favored 'Trans proline' 0 C--O 1.195 -1.626 0 C-N-CA 117.259 -1.361 . . . . 49.159999999999997 109.092 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 9.9 p -63.2 -22.11 66.65 Favored 'General case' 0 C--O 1.192 -1.933 0 CA-C-N 118.635 0.652 . . . . 53.619999999999997 111.121 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 23.8 p -59.49 -17.69 33.7 Favored 'General case' 0 C--O 1.193 -1.905 0 N-CA-C 112.824 0.676 . . . . 49.770000000000003 112.824 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -74.6 -14.02 60.73 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 113.786 1.032 . . . . 41.789999999999999 113.786 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -95.64 122.23 38.18 Favored 'General case' 0 C--O 1.18 -2.603 0 O-C-N 121.471 -0.768 . . . . 48.18 109.864 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 545' ' ' ALA . . . . . . . . . . . . . . . -115.28 168.66 9.77 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.922 -1.111 . . . . 43.530000000000001 110.916 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 58.19 38.78 26.29 Favored 'General case' 0 C--O 1.181 -2.502 0 CA-C-N 116.243 -0.435 . . . . 58.810000000000002 111.056 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 79.1 t -72.88 123.68 28.18 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.386 0 O-C-N 120.963 -1.086 . . . . 38.340000000000003 111.11 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -145.28 143.89 30.46 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 112.802 0.668 . . . . 66.620000000000005 112.802 -175.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 13.4 m -101.44 139.58 22.28 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.893 0 CA-C-N 119.261 0.937 . . . . 34.880000000000003 111.345 174.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 33.1 mt -134.77 100.04 4.49 Favored 'General case' 0 C--O 1.189 -2.104 0 N-CA-C 107.715 -1.217 . . . . 44.450000000000003 107.715 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' GLY . . . . . . . . . . . . . . . 61.2 -119.73 19.81 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 119.378 -1.391 . . . . 31.18 112.21 -175.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -89.22 0.87 6.02 Favored 'Trans proline' 0 C--O 1.212 -0.785 0 C-N-CA 120.806 1.004 . . . . 32.039999999999999 114.556 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -109.39 153.49 23.91 Favored 'General case' 0 C--O 1.197 -1.66 0 N-CA-C 114.342 1.238 . . . . 29.460000000000001 114.342 -172.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 9.1 p -113.2 141.63 28.3 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.087 0 N-CA-C 110.032 -0.358 . . . . 28.170000000000002 110.032 163.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' THR . . . . . . . . . . . . . 19.5 p -128.52 159.28 35.97 Favored 'General case' 0 C--O 1.2 -1.543 0 CA-C-O 114.806 -2.521 . . . . 30.75 111.133 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -167.94 163.43 13.77 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 123.537 2.88 . . . . 34.990000000000002 110.786 -168.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -119.6 143.51 47.62 Favored 'General case' 0 C--O 1.183 -2.447 0 N-CA-C 107.756 -1.201 . . . . 63.740000000000002 107.756 169.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 20.4 t -95.73 121.54 46.38 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.52 0 CA-C-O 118.287 -0.864 . . . . 45.310000000000002 109.21 172.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 1.6 m -85.39 163.4 18.55 Favored 'General case' 0 C--O 1.183 -2.399 0 CA-C-N 118.81 0.732 . . . . 50.310000000000002 110.569 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.0 141.33 40.21 Favored 'General case' 0 C--O 1.197 -1.674 0 O-C-N 121.656 -0.653 . . . . 44.520000000000003 109.86 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -146.47 169.09 19.62 Favored 'General case' 0 C--O 1.199 -1.569 0 N-CA-C 114.503 1.298 . . . . 44.109999999999999 114.503 -170.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 21.1 m -71.83 -18.39 19.68 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.018 0 C-N-CA 119.669 -0.812 . . . . 52.170000000000002 113.136 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -90.39 0.81 57.11 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 115.016 1.487 . . . . 65.099999999999994 115.016 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 564' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 59.04 26.35 14.99 Favored 'General case' 0 C--O 1.199 -1.573 0 N-CA-C 114.018 1.118 . . . . 82.810000000000002 114.018 -177.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 5.4 t -77.55 126.25 37.85 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.845 0 O-C-N 121.961 -0.462 . . . . 47.350000000000001 110.282 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 68.7 p -99.81 175.21 5.87 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 113.975 1.102 . . . . 56.719999999999999 113.975 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 567' ' ' THR . . . . . 0.561 ' CG2' ' O ' ' A' ' 610' ' ' HOH . 7.1 m -62.05 -40.43 95.72 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 121.315 -0.865 . . . . 53.640000000000001 110.887 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -66.54 -35.41 80.16 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 120.88 -1.138 . . . . 81.719999999999999 113.848 176.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 569' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.41 -36.94 81.71 Favored 'General case' 0 C--O 1.191 -1.984 0 CA-C-N 118.909 0.777 . . . . 56.340000000000003 110.618 176.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 570' ' ' VAL . . . . . . . . . . . . . 63.9 t -68.3 -40.87 83.22 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.405 0 O-C-N 121.868 -0.52 . . . . 41.939999999999998 111.084 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.02 -50.51 73.05 Favored 'General case' 0 C--O 1.193 -1.905 0 O-C-N 121.76 -0.588 . . . . 70.540000000000006 110.583 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -58.8 -40.23 83.45 Favored 'General case' 0 C--O 1.193 -1.908 0 N-CA-C 114.596 1.332 . . . . 93.120000000000005 114.596 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.98 73.06 Favored 'General case' 0 C--O 1.187 -2.184 0 O-C-N 121.595 -0.69 . . . . 51.299999999999997 111.92 177.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 31.6 m -68.82 -48.14 64.29 Favored 'General case' 0 C--O 1.188 -2.147 0 C-N-CA 123.133 0.573 . . . . 47.450000000000003 111.007 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.22 -51.46 72.72 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.562 0 O-C-N 121.539 -0.726 . . . . 56.07 109.195 174.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.33 -28.35 69.68 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 114.895 1.443 . . . . 77.349999999999994 114.895 -175.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -113.73 23.29 13.22 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 113.638 0.977 . . . . 60.5 113.638 -177.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 578' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -52.1 -48.5 64.73 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 114.577 1.325 . . . . 61.640000000000001 114.577 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -62.08 -41.06 97.79 Favored 'General case' 0 C--O 1.195 -1.78 0 C-N-CA 119.949 -0.7 . . . . 80.629999999999995 112.757 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 580' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -64.27 -41.5 96.88 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-N 119.25 0.932 . . . . 87.299999999999997 111.684 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.9 -41.47 97.94 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 121.42 0.628 . . . . 53.57 112.521 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 582' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.42 -41.45 98.71 Favored 'General case' 0 C--O 1.2 -1.518 0 CA-C-N 114.989 -1.005 . . . . 59.5 110.752 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 583' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.51 -46.12 73.8 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 121.132 -0.98 . . . . 106.65000000000001 111.635 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 584' ' ' THR . . . . . . . . . . . . . 96.6 m -59.71 -47.19 86.63 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 112.636 0.606 . . . . 66.730000000000004 112.636 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 94.3 p -80.35 -31.55 37.93 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 113.788 1.033 . . . . 63.32 113.788 -176.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 79.03 22.6 65.46 Favored Glycine 0 C--O 1.196 -2.257 0 C-N-CA 118.881 -1.628 . . . . 62.07 112.277 -174.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 3.2 pp -134.54 174.44 10.54 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 120.355 -1.673 . . . . 52.600000000000001 111.301 171.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -103.2 140.22 37.65 Favored 'General case' 0 C--O 1.192 -1.942 0 N-CA-C 112.735 0.643 . . . . 76.950000000000003 112.735 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 589' ' ' ILE . . . . . . . . . . . . . 77.9 mt -101.24 123.57 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 N-CA-C 106.905 -1.517 . . . . 44.090000000000003 106.905 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 88.5 mt -102.72 -21.51 14.08 Favored 'General case' 0 C--O 1.188 -2.169 0 N-CA-C 113.923 1.082 . . . . 44.869999999999997 113.923 -175.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -167.63 152.89 7.11 Favored 'General case' 0 C--O 1.207 -1.156 0 O-C-N 121.084 -1.01 . . . . 37.539999999999999 108.883 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 15.3 t -147.39 157.64 43.66 Favored 'General case' 0 C--O 1.185 -2.322 0 N-CA-C 108.14 -1.059 . . . . 42.450000000000003 108.14 171.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 178.42 -164.19 32.65 Favored Glycine 0 N--CA 1.425 -2.048 0 CA-C-N 118.937 0.79 . . . . 36.170000000000002 112.273 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 594' ' ' VAL . . . . . . . . . . . . . 65.0 t -125.9 141.55 45.27 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.318 0 C-N-CA 123.788 0.835 . . . . 48.229999999999997 108.839 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -85.41 169.77 43.8 Favored Glycine 0 C--O 1.197 -2.205 0 CA-C-O 117.891 -1.505 . . . . 46.920000000000002 114.018 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 596' ' ' SER . . . . . 0.571 ' OG ' ' O ' ' A' ' 633' ' ' HOH . 1.6 m -127.58 131.0 50.04 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 119.313 1.557 . . . . 66.290000000000006 109.894 179.99 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 22.3 mttt . . . . . 0 C--N 1.316 -0.86 0 N-CA-C 113.666 0.987 . . . . 88.879999999999995 113.666 178.36 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . 0.561 ' O ' ' CG2' ' A' ' 567' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 633' ' ' HOH . . . . . 0.571 ' O ' ' OG ' ' A' ' 596' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 634' ' ' HOH . . . . . 0.715 ' O ' ' NH1' ' A' ' 511' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 638' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 639' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 640' ' ' HOH . . . . . 1.03 ' O ' ' NH2' ' A' ' 527' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.963 0 CA-C-O 120.921 0.391 . . . . 67.810000000000002 111.277 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' ARG . . . . . 0.715 ' NH1' ' O ' ' A' ' 634' ' ' HOH . 27.3 mtt180 -95.09 154.05 17.36 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.877 -0.601 . . . . 86.299999999999997 110.432 179.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 512' ' ' GLY . . . . . . . . . . . . . . . -98.13 162.56 20.97 Favored Glycine 0 C--O 1.194 -2.404 0 N-CA-C 106.214 -2.754 . . . . 36.520000000000003 106.214 167.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 513' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -148.88 154.48 39.52 Favored 'General case' 0 C--O 1.186 -2.251 0 C-N-CA 123.154 0.581 . . . . 32.549999999999997 110.752 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 77.8 mt -134.74 123.33 41.25 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.018 0 N-CA-C 105.82 -1.918 . . . . 32.439999999999998 105.82 173.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 27.4 t -94.22 129.96 43.79 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.382 0 CA-C-N 118.749 0.704 . . . . 33.18 110.74 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 9.1 p -110.43 177.52 4.67 Favored 'General case' 0 C--O 1.198 -1.626 0 N-CA-C 112.5 0.555 . . . . 34.140000000000001 112.5 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -92.98 9.97 33.35 Favored 'General case' 0 C--O 1.192 -1.941 0 O-C-N 124.145 0.903 . . . . 49.149999999999999 111.829 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -102.51 137.88 40.16 Favored 'General case' 0 C--O 1.191 -2.0 0 CA-C-O 119.269 -0.396 . . . . 79.890000000000001 110.141 175.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -155.65 117.75 2.33 Favored Pre-proline 0 N--CA 1.498 1.942 0 C-N-CA 119.027 -1.069 . . . . 42.18 110.372 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.95 142.42 70.14 Favored 'Cis proline' 0 C--O 1.19 -1.889 0 C-N-CA 123.187 -1.589 . . . . 45.479999999999997 111.938 -0.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 50.4 tp -69.14 126.65 30.46 Favored 'General case' 0 C--O 1.198 -1.643 0 N-CA-C 108.508 -0.923 . . . . 38.049999999999997 108.508 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 522' ' ' ARG . . . . . 0.688 HH22 HH22 ' A' ' 528' ' ' ARG . 21.4 mtp-105 -67.14 141.73 96.54 Favored Pre-proline 0 C--O 1.184 -2.364 0 CA-C-O 118.378 -0.82 . . . . 79.969999999999999 111.602 -178.366 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -52.69 -44.28 48.97 Favored 'Trans proline' 0 C--O 1.187 -2.051 0 CA-C-N 120.036 1.049 . . . . 48.329999999999998 112.649 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -57.7 -37.28 73.23 Favored 'General case' 0 C--O 1.197 -1.71 0 C-N-CA 124.902 1.281 . . . . 78.709999999999994 112.356 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 525' ' ' GLU . . . . . 0.942 ' OE1' ' NH1' ' A' ' 528' ' ' ARG . 33.0 tp10 -77.06 -37.32 54.85 Favored 'General case' 0 C--O 1.19 -2.054 0 N-CA-C 114.237 1.199 . . . . 69.579999999999998 114.237 176.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . -57.9 -41.22 94.09 Favored Glycine 0 C--O 1.198 -2.131 0 CA-C-N 119.055 0.843 . . . . 39.140000000000001 111.238 171.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 527' ' ' ARG . . . . . 0.615 ' NH2' ' O ' ' A' ' 640' ' ' HOH . 14.1 tpp180 -62.56 -44.94 95.08 Favored 'General case' 0 C--O 1.194 -1.863 0 N-CA-C 113.103 0.779 . . . . 94.579999999999998 113.103 177.561 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 528' ' ' ARG . . . . . 0.942 ' NH1' ' OE1' ' A' ' 525' ' ' GLU . 12.2 mtm180 -61.41 -43.86 98.14 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 121.353 0.597 . . . . 83.959999999999994 111.493 178.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.04 -40.0 96.41 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 113.861 1.06 . . . . 39.289999999999999 113.861 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.2 t -65.49 -39.64 85.75 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.36 0 CA-C-O 118.867 -0.587 . . . . 41.439999999999998 111.718 172.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -61.69 -40.93 96.74 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-N 118.513 0.597 . . . . 80.090000000000003 111.873 174.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -58.02 -44.09 87.09 Favored 'General case' 0 C--O 1.191 -2.005 0 C-N-CA 123.923 0.889 . . . . 50.649999999999999 112.181 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.39 -39.63 81.12 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.731 0 N-CA-C 112.038 0.385 . . . . 50.340000000000003 112.038 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.68 90.9 Favored 'General case' 0 C--O 1.191 -1.999 0 CA-C-O 120.923 0.392 . . . . 47.259999999999998 110.963 175.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -63.92 -35.06 79.44 Favored 'General case' 0 C--O 1.191 -1.984 0 O-C-N 121.255 -0.903 . . . . 93.629999999999995 112.838 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -30.51 71.1 Favored 'General case' 0 C--O 1.191 -1.984 0 CA-C-O 121.561 0.696 . . . . 69.909999999999997 111.063 178.335 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 537' ' ' LEU . . . . . 0.48 ' CD1' HG22 ' A' ' 570' ' ' VAL . 55.6 mt -100.6 1.96 41.27 Favored 'General case' 0 C--O 1.2 -1.514 0 N-CA-C 113.518 0.933 . . . . 56.700000000000003 113.518 -175.476 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 538' ' ' GLN . . . . . 0.476 ' O ' ' HG3' ' A' ' 563' ' ' GLN . 89.7 mm-40 51.32 52.05 15.62 Favored 'General case' 0 C--O 1.205 -1.271 0 O-C-N 121.682 -0.636 . . . . 68.480000000000004 112.544 -175.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.89 146.38 57.23 Favored Pre-proline 0 C--O 1.201 -1.491 0 N-CA-C 106.944 -1.502 . . . . 49.310000000000002 106.944 168.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 540' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.97 156.29 63.16 Favored 'Trans proline' 0 C--O 1.195 -1.626 0 C-N-CA 117.259 -1.361 . . . . 49.159999999999997 109.092 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 9.9 p -63.2 -22.11 66.65 Favored 'General case' 0 C--O 1.192 -1.933 0 CA-C-N 118.635 0.652 . . . . 53.619999999999997 111.121 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 23.8 p -59.49 -17.69 33.7 Favored 'General case' 0 C--O 1.193 -1.905 0 N-CA-C 112.824 0.676 . . . . 49.770000000000003 112.824 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -74.6 -14.02 60.73 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 113.786 1.032 . . . . 41.789999999999999 113.786 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -95.64 122.23 38.18 Favored 'General case' 0 C--O 1.18 -2.603 0 O-C-N 121.471 -0.768 . . . . 48.18 109.864 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 545' ' ' ALA . . . . . . . . . . . . . . . -115.28 168.66 9.77 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.922 -1.111 . . . . 43.530000000000001 110.916 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 58.19 38.78 26.29 Favored 'General case' 0 C--O 1.181 -2.502 0 CA-C-N 116.243 -0.435 . . . . 58.810000000000002 111.056 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 79.1 t -72.88 123.68 28.18 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.386 0 O-C-N 120.963 -1.086 . . . . 38.340000000000003 111.11 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -145.28 143.89 30.46 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 112.802 0.668 . . . . 66.620000000000005 112.802 -175.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 13.4 m -101.44 139.58 22.28 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.893 0 CA-C-N 119.261 0.937 . . . . 34.880000000000003 111.345 174.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 33.1 mt -134.77 100.04 4.49 Favored 'General case' 0 C--O 1.189 -2.104 0 N-CA-C 107.715 -1.217 . . . . 44.450000000000003 107.715 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 551' ' ' GLY . . . . . . . . . . . . . . . 61.2 -119.73 19.81 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 119.378 -1.391 . . . . 31.18 112.21 -175.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -89.22 0.87 6.02 Favored 'Trans proline' 0 C--O 1.212 -0.785 0 C-N-CA 120.806 1.004 . . . . 32.039999999999999 114.556 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -109.39 153.49 23.91 Favored 'General case' 0 C--O 1.197 -1.66 0 N-CA-C 114.342 1.238 . . . . 29.460000000000001 114.342 -172.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 9.1 p -113.2 141.63 28.3 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.087 0 N-CA-C 110.032 -0.358 . . . . 28.170000000000002 110.032 163.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 555' ' ' THR . . . . . 0.539 HG23 HH21 ' A' ' 511' ' ' ARG . 19.5 p -128.52 159.28 35.97 Favored 'General case' 0 C--O 1.2 -1.543 0 CA-C-O 114.806 -2.521 . . . . 35.32 111.133 179.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -167.94 163.43 13.77 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 123.537 2.88 . . . . 34.990000000000002 110.786 -168.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -119.6 143.51 47.62 Favored 'General case' 0 C--O 1.183 -2.447 0 N-CA-C 107.756 -1.201 . . . . 63.740000000000002 107.756 169.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 20.4 t -95.73 121.54 46.38 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.52 0 CA-C-O 118.287 -0.864 . . . . 45.310000000000002 109.21 172.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 1.6 m -85.39 163.4 18.55 Favored 'General case' 0 C--O 1.183 -2.399 0 CA-C-N 118.81 0.732 . . . . 50.310000000000002 110.569 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.0 141.33 40.21 Favored 'General case' 0 C--O 1.197 -1.674 0 O-C-N 121.656 -0.653 . . . . 44.520000000000003 109.86 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -146.47 169.09 19.62 Favored 'General case' 0 C--O 1.199 -1.569 0 N-CA-C 114.503 1.298 . . . . 44.109999999999999 114.503 -170.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 21.1 m -71.83 -18.39 19.68 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.018 0 C-N-CA 119.669 -0.812 . . . . 52.170000000000002 113.136 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 563' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 11.3 mm-40 -90.39 0.81 57.11 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 115.016 1.487 . . . . 65.099999999999994 115.016 176.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 564' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 59.04 26.35 14.99 Favored 'General case' 0 C--O 1.199 -1.573 0 N-CA-C 114.018 1.118 . . . . 82.810000000000002 114.018 -177.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 565' ' ' VAL . . . . . 0.432 HG11 HD13 ' A' ' 537' ' ' LEU . 5.4 t -77.55 126.25 37.85 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.845 0 O-C-N 121.961 -0.462 . . . . 47.350000000000001 110.282 -179.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 68.7 p -99.81 175.21 5.87 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 113.975 1.102 . . . . 56.719999999999999 113.975 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 567' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 610' ' ' HOH . 7.1 m -62.05 -40.43 95.72 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 121.315 -0.865 . . . . 53.640000000000001 110.887 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -66.54 -35.41 80.16 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 120.88 -1.138 . . . . 81.719999999999999 113.848 176.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 569' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.41 -36.94 81.71 Favored 'General case' 0 C--O 1.191 -1.984 0 CA-C-N 118.909 0.777 . . . . 56.340000000000003 110.618 176.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 570' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 537' ' ' LEU . 63.9 t -68.3 -40.87 83.22 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.405 0 O-C-N 121.868 -0.52 . . . . 41.939999999999998 111.084 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.02 -50.51 73.05 Favored 'General case' 0 C--O 1.193 -1.905 0 O-C-N 121.76 -0.588 . . . . 70.540000000000006 110.583 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -58.8 -40.23 83.45 Favored 'General case' 0 C--O 1.193 -1.908 0 N-CA-C 114.596 1.332 . . . . 93.120000000000005 114.596 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.98 73.06 Favored 'General case' 0 C--O 1.187 -2.184 0 O-C-N 121.595 -0.69 . . . . 51.299999999999997 111.92 177.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 31.6 m -68.82 -48.14 64.29 Favored 'General case' 0 C--O 1.188 -2.147 0 C-N-CA 123.133 0.573 . . . . 47.450000000000003 111.007 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.22 -51.46 72.72 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.562 0 O-C-N 121.539 -0.726 . . . . 56.07 109.195 174.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.33 -28.35 69.68 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 114.895 1.443 . . . . 77.349999999999994 114.895 -175.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -113.73 23.29 13.22 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 113.638 0.977 . . . . 60.5 113.638 -177.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 578' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -52.1 -48.5 64.73 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 114.577 1.325 . . . . 61.640000000000001 114.577 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -62.08 -41.06 97.79 Favored 'General case' 0 C--O 1.195 -1.78 0 C-N-CA 119.949 -0.7 . . . . 80.629999999999995 112.757 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 580' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -64.27 -41.5 96.88 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-N 119.25 0.932 . . . . 87.299999999999997 111.684 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.9 -41.47 97.94 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 121.42 0.628 . . . . 53.57 112.521 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 582' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.42 -41.45 98.71 Favored 'General case' 0 C--O 1.2 -1.518 0 CA-C-N 114.989 -1.005 . . . . 59.5 110.752 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 583' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.51 -46.12 73.8 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 121.132 -0.98 . . . . 106.65000000000001 111.635 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 584' ' ' THR . . . . . . . . . . . . . 96.6 m -59.71 -47.19 86.63 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 112.636 0.606 . . . . 66.730000000000004 112.636 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 94.3 p -80.35 -31.55 37.93 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 113.788 1.033 . . . . 63.32 113.788 -176.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 79.03 22.6 65.46 Favored Glycine 0 C--O 1.196 -2.257 0 C-N-CA 118.881 -1.628 . . . . 62.07 112.277 -174.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 587' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 587' ' ' LEU . 3.2 pp -134.54 174.44 10.54 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 120.355 -1.673 . . . . 52.600000000000001 111.301 171.097 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -103.2 140.22 37.65 Favored 'General case' 0 C--O 1.192 -1.942 0 N-CA-C 112.735 0.643 . . . . 76.950000000000003 112.735 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 589' ' ' ILE . . . . . . . . . . . . . 77.9 mt -101.24 123.57 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 N-CA-C 106.905 -1.517 . . . . 44.090000000000003 106.905 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 88.5 mt -102.72 -21.51 14.08 Favored 'General case' 0 C--O 1.188 -2.169 0 N-CA-C 113.923 1.082 . . . . 44.869999999999997 113.923 -175.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -167.63 152.89 7.11 Favored 'General case' 0 C--O 1.207 -1.156 0 O-C-N 121.084 -1.01 . . . . 37.539999999999999 108.883 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 15.3 t -147.39 157.64 43.66 Favored 'General case' 0 C--O 1.185 -2.322 0 N-CA-C 108.14 -1.059 . . . . 42.450000000000003 108.14 171.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 178.42 -164.19 32.65 Favored Glycine 0 N--CA 1.425 -2.048 0 CA-C-N 118.937 0.79 . . . . 36.170000000000002 112.273 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 594' ' ' VAL . . . . . . . . . . . . . 65.0 t -125.9 141.55 45.27 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.318 0 C-N-CA 123.788 0.835 . . . . 48.229999999999997 108.839 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -85.41 169.77 43.8 Favored Glycine 0 C--O 1.197 -2.205 0 CA-C-O 117.891 -1.505 . . . . 46.920000000000002 114.018 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 596' ' ' SER . . . . . 0.571 ' OG ' ' O ' ' A' ' 633' ' ' HOH . 1.6 m -127.58 131.0 50.04 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 119.313 1.557 . . . . 66.290000000000006 109.894 179.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 22.3 mttt . . . . . 0 C--N 1.316 -0.86 0 N-CA-C 113.666 0.987 . . . . 88.879999999999995 113.666 178.36 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . 0.603 ' O ' HG22 ' A' ' 567' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 633' ' ' HOH . . . . . 0.571 ' O ' ' OG ' ' A' ' 596' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 634' ' ' HOH . . . . . 0.715 ' O ' ' NH1' ' A' ' 511' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 638' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 639' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 640' ' ' HOH . . . . . 0.615 ' O ' ' NH2' ' A' ' 527' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.963 0 CA-C-O 120.921 0.391 . . . . 67.810000000000002 111.277 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' ARG . . . . . 0.715 ' NH1' ' O ' ' A' ' 634' ' ' HOH . 27.3 mtt180 -95.09 154.05 17.36 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 115.877 -0.601 . . . . 86.299999999999997 110.432 179.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' GLY . . . . . . . . . . . . . . . -98.13 162.56 20.97 Favored Glycine 0 C--O 1.194 -2.404 0 N-CA-C 106.214 -2.754 . . . . 36.520000000000003 106.214 167.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -148.88 154.48 39.52 Favored 'General case' 0 C--O 1.186 -2.251 0 C-N-CA 123.154 0.581 . . . . 32.549999999999997 110.752 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' ILE . . . . . . . . . . . . . 77.8 mt -134.74 123.33 41.25 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.018 0 N-CA-C 105.82 -1.918 . . . . 32.439999999999998 105.82 173.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 27.4 t -94.22 129.96 43.79 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.382 0 CA-C-N 118.749 0.704 . . . . 33.18 110.74 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 9.1 p -110.43 177.52 4.67 Favored 'General case' 0 C--O 1.198 -1.626 0 N-CA-C 112.5 0.555 . . . . 34.140000000000001 112.5 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -92.98 9.97 33.35 Favored 'General case' 0 C--O 1.192 -1.941 0 O-C-N 124.145 0.903 . . . . 49.149999999999999 111.829 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -102.51 137.88 40.16 Favored 'General case' 0 C--O 1.191 -2.0 0 CA-C-O 119.269 -0.396 . . . . 79.890000000000001 110.141 175.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -155.65 117.75 2.33 Favored Pre-proline 0 N--CA 1.498 1.942 0 C-N-CA 119.027 -1.069 . . . . 42.18 110.372 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.95 142.42 70.14 Favored 'Cis proline' 0 C--O 1.19 -1.889 0 C-N-CA 123.187 -1.589 . . . . 45.479999999999997 111.938 -0.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 50.4 tp -69.14 126.65 30.46 Favored 'General case' 0 C--O 1.198 -1.643 0 N-CA-C 108.508 -0.923 . . . . 38.049999999999997 108.508 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.688 HH22 HH22 ' A' ' 528' ' ' ARG . 21.4 mtp-105 -67.14 141.73 96.54 Favored Pre-proline 0 C--O 1.184 -2.364 0 CA-C-O 118.378 -0.82 . . . . 79.969999999999999 111.602 -178.366 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -52.69 -44.28 48.97 Favored 'Trans proline' 0 C--O 1.187 -2.051 0 CA-C-N 120.036 1.049 . . . . 48.329999999999998 112.649 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -57.7 -37.28 73.23 Favored 'General case' 0 C--O 1.197 -1.71 0 C-N-CA 124.902 1.281 . . . . 78.709999999999994 112.356 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' GLU . . . . . 0.942 ' OE1' ' NH1' ' A' ' 528' ' ' ARG . 33.0 tp10 -77.06 -37.32 54.85 Favored 'General case' 0 C--O 1.19 -2.054 0 N-CA-C 114.237 1.199 . . . . 69.579999999999998 114.237 176.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . -57.9 -41.22 94.09 Favored Glycine 0 C--O 1.198 -2.131 0 CA-C-N 119.055 0.843 . . . . 39.140000000000001 111.238 171.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.615 ' NH2' ' O ' ' A' ' 640' ' ' HOH . 14.1 tpp180 -62.56 -44.94 95.08 Favored 'General case' 0 C--O 1.194 -1.863 0 N-CA-C 113.103 0.779 . . . . 94.579999999999998 113.103 177.561 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.942 ' NH1' ' OE1' ' A' ' 525' ' ' GLU . 12.2 mtm180 -61.41 -43.86 98.14 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 121.353 0.597 . . . . 83.959999999999994 111.493 178.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.04 -40.0 96.41 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 113.861 1.06 . . . . 39.289999999999999 113.861 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.2 t -65.49 -39.64 85.75 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.36 0 CA-C-O 118.867 -0.587 . . . . 41.439999999999998 111.718 172.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -61.69 -40.93 96.74 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-N 118.513 0.597 . . . . 80.090000000000003 111.873 174.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -58.02 -44.09 87.09 Favored 'General case' 0 C--O 1.191 -2.005 0 C-N-CA 123.923 0.889 . . . . 50.649999999999999 112.181 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.39 -39.63 81.12 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.731 0 N-CA-C 112.038 0.385 . . . . 50.340000000000003 112.038 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.68 90.9 Favored 'General case' 0 C--O 1.191 -1.999 0 CA-C-O 120.923 0.392 . . . . 47.259999999999998 110.963 175.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -63.92 -35.06 79.44 Favored 'General case' 0 C--O 1.191 -1.984 0 O-C-N 121.255 -0.903 . . . . 93.629999999999995 112.838 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -30.51 71.1 Favored 'General case' 0 C--O 1.191 -1.984 0 CA-C-O 121.561 0.696 . . . . 69.909999999999997 111.063 178.335 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.48 ' CD1' HG22 ' A' ' 570' ' ' VAL . 55.6 mt -100.6 1.96 41.27 Favored 'General case' 0 C--O 1.2 -1.514 0 N-CA-C 113.518 0.933 . . . . 56.700000000000003 113.518 -175.476 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.476 ' O ' ' HG3' ' A' ' 563' ' ' GLN . 89.7 mm-40 51.32 52.05 15.62 Favored 'General case' 0 C--O 1.205 -1.271 0 O-C-N 121.682 -0.636 . . . . 68.480000000000004 112.544 -175.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.89 146.38 57.23 Favored Pre-proline 0 C--O 1.201 -1.491 0 N-CA-C 106.944 -1.502 . . . . 49.310000000000002 106.944 168.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.97 156.29 63.16 Favored 'Trans proline' 0 C--O 1.195 -1.626 0 C-N-CA 117.259 -1.361 . . . . 49.159999999999997 109.092 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 9.9 p -63.2 -22.11 66.65 Favored 'General case' 0 C--O 1.192 -1.933 0 CA-C-N 118.635 0.652 . . . . 53.619999999999997 111.121 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 23.8 p -59.49 -17.69 33.7 Favored 'General case' 0 C--O 1.193 -1.905 0 N-CA-C 112.824 0.676 . . . . 49.770000000000003 112.824 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -74.6 -14.02 60.73 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 113.786 1.032 . . . . 41.789999999999999 113.786 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -95.64 122.23 38.18 Favored 'General case' 0 C--O 1.18 -2.603 0 O-C-N 121.471 -0.768 . . . . 48.18 109.864 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' ALA . . . . . . . . . . . . . . . -115.28 168.66 9.77 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.922 -1.111 . . . . 43.530000000000001 110.916 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 58.19 38.78 26.29 Favored 'General case' 0 C--O 1.181 -2.502 0 CA-C-N 116.243 -0.435 . . . . 58.810000000000002 111.056 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 79.1 t -72.88 123.68 28.18 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.386 0 O-C-N 120.963 -1.086 . . . . 38.340000000000003 111.11 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -145.28 143.89 30.46 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 112.802 0.668 . . . . 66.620000000000005 112.802 -175.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 13.4 m -101.44 139.58 22.28 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.893 0 CA-C-N 119.261 0.937 . . . . 34.880000000000003 111.345 174.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 33.1 mt -134.77 100.04 4.49 Favored 'General case' 0 C--O 1.189 -2.104 0 N-CA-C 107.715 -1.217 . . . . 44.450000000000003 107.715 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' GLY . . . . . . . . . . . . . . . 61.2 -119.73 19.81 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 119.378 -1.391 . . . . 31.18 112.21 -175.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -89.22 0.87 6.02 Favored 'Trans proline' 0 C--O 1.212 -0.785 0 C-N-CA 120.806 1.004 . . . . 32.039999999999999 114.556 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -109.39 153.49 23.91 Favored 'General case' 0 C--O 1.197 -1.66 0 N-CA-C 114.342 1.238 . . . . 29.460000000000001 114.342 -172.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 9.1 p -113.2 141.63 28.3 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.087 0 N-CA-C 110.032 -0.358 . . . . 28.170000000000002 110.032 163.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' THR . . . . . 0.539 HG23 HH21 ' A' ' 511' ' ' ARG . 19.5 p -128.52 159.28 35.97 Favored 'General case' 0 C--O 1.2 -1.543 0 CA-C-O 114.806 -2.521 . . . . 35.32 111.133 179.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -167.94 163.43 13.77 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 123.537 2.88 . . . . 34.990000000000002 110.786 -168.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -119.6 143.51 47.62 Favored 'General case' 0 C--O 1.183 -2.447 0 N-CA-C 107.756 -1.201 . . . . 63.740000000000002 107.756 169.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 20.4 t -95.73 121.54 46.38 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.52 0 CA-C-O 118.287 -0.864 . . . . 45.310000000000002 109.21 172.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 1.6 m -85.39 163.4 18.55 Favored 'General case' 0 C--O 1.183 -2.399 0 CA-C-N 118.81 0.732 . . . . 50.310000000000002 110.569 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.0 141.33 40.21 Favored 'General case' 0 C--O 1.197 -1.674 0 O-C-N 121.656 -0.653 . . . . 44.520000000000003 109.86 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -146.47 169.09 19.62 Favored 'General case' 0 C--O 1.199 -1.569 0 N-CA-C 114.503 1.298 . . . . 44.109999999999999 114.503 -170.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 21.1 m -71.83 -18.39 19.68 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.018 0 C-N-CA 119.669 -0.812 . . . . 52.170000000000002 113.136 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 563' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 11.3 mm-40 -90.39 0.81 57.11 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 115.016 1.487 . . . . 65.099999999999994 115.016 176.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 564' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 59.04 26.35 14.99 Favored 'General case' 0 C--O 1.199 -1.573 0 N-CA-C 114.018 1.118 . . . . 82.810000000000002 114.018 -177.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.432 HG11 HD13 ' A' ' 537' ' ' LEU . 5.4 t -77.55 126.25 37.85 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.845 0 O-C-N 121.961 -0.462 . . . . 47.350000000000001 110.282 -179.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 68.7 p -99.81 175.21 5.87 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 113.975 1.102 . . . . 56.719999999999999 113.975 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 567' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 610' ' ' HOH . 7.1 m -62.05 -40.43 95.72 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 121.315 -0.865 . . . . 53.640000000000001 110.887 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -66.54 -35.41 80.16 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 120.88 -1.138 . . . . 81.719999999999999 113.848 176.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 569' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.41 -36.94 81.71 Favored 'General case' 0 C--O 1.191 -1.984 0 CA-C-N 118.909 0.777 . . . . 56.340000000000003 110.618 176.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 537' ' ' LEU . 63.9 t -68.3 -40.87 83.22 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.405 0 O-C-N 121.868 -0.52 . . . . 41.939999999999998 111.084 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.02 -50.51 73.05 Favored 'General case' 0 C--O 1.193 -1.905 0 O-C-N 121.76 -0.588 . . . . 70.540000000000006 110.583 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -58.8 -40.23 83.45 Favored 'General case' 0 C--O 1.193 -1.908 0 N-CA-C 114.596 1.332 . . . . 93.120000000000005 114.596 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.98 73.06 Favored 'General case' 0 C--O 1.187 -2.184 0 O-C-N 121.595 -0.69 . . . . 51.299999999999997 111.92 177.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 31.6 m -68.82 -48.14 64.29 Favored 'General case' 0 C--O 1.188 -2.147 0 C-N-CA 123.133 0.573 . . . . 47.450000000000003 111.007 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.22 -51.46 72.72 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.562 0 O-C-N 121.539 -0.726 . . . . 56.07 109.195 174.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.33 -28.35 69.68 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 114.895 1.443 . . . . 77.349999999999994 114.895 -175.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -113.73 23.29 13.22 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 113.638 0.977 . . . . 60.5 113.638 -177.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 578' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -52.1 -48.5 64.73 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 114.577 1.325 . . . . 61.640000000000001 114.577 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -62.08 -41.06 97.79 Favored 'General case' 0 C--O 1.195 -1.78 0 C-N-CA 119.949 -0.7 . . . . 80.629999999999995 112.757 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 580' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -64.27 -41.5 96.88 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-N 119.25 0.932 . . . . 87.299999999999997 111.684 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.9 -41.47 97.94 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 121.42 0.628 . . . . 53.57 112.521 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 582' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.42 -41.45 98.71 Favored 'General case' 0 C--O 1.2 -1.518 0 CA-C-N 114.989 -1.005 . . . . 59.5 110.752 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 583' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.51 -46.12 73.8 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 121.132 -0.98 . . . . 106.65000000000001 111.635 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 584' ' ' THR . . . . . . . . . . . . . 96.6 m -59.71 -47.19 86.63 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 112.636 0.606 . . . . 66.730000000000004 112.636 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 94.3 p -80.35 -31.55 37.93 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 113.788 1.033 . . . . 63.32 113.788 -176.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 79.03 22.6 65.46 Favored Glycine 0 C--O 1.196 -2.257 0 C-N-CA 118.881 -1.628 . . . . 62.07 112.277 -174.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 587' ' ' LEU . 3.2 pp -134.54 174.44 10.54 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 120.355 -1.673 . . . . 52.600000000000001 111.301 171.097 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -103.2 140.22 37.65 Favored 'General case' 0 C--O 1.192 -1.942 0 N-CA-C 112.735 0.643 . . . . 76.950000000000003 112.735 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 589' ' ' ILE . . . . . . . . . . . . . 77.9 mt -101.24 123.57 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 N-CA-C 106.905 -1.517 . . . . 44.090000000000003 106.905 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 88.5 mt -102.72 -21.51 14.08 Favored 'General case' 0 C--O 1.188 -2.169 0 N-CA-C 113.923 1.082 . . . . 44.869999999999997 113.923 -175.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -167.63 152.89 7.11 Favored 'General case' 0 C--O 1.207 -1.156 0 O-C-N 121.084 -1.01 . . . . 37.539999999999999 108.883 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 15.3 t -147.39 157.64 43.66 Favored 'General case' 0 C--O 1.185 -2.322 0 N-CA-C 108.14 -1.059 . . . . 42.450000000000003 108.14 171.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 178.42 -164.19 32.65 Favored Glycine 0 N--CA 1.425 -2.048 0 CA-C-N 118.937 0.79 . . . . 36.170000000000002 112.273 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 594' ' ' VAL . . . . . . . . . . . . . 65.0 t -125.9 141.55 45.27 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.318 0 C-N-CA 123.788 0.835 . . . . 48.229999999999997 108.839 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -85.41 169.77 43.8 Favored Glycine 0 C--O 1.197 -2.205 0 CA-C-O 117.891 -1.505 . . . . 46.920000000000002 114.018 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 596' ' ' SER . . . . . 0.571 ' OG ' ' O ' ' A' ' 633' ' ' HOH . 1.6 m -127.58 131.0 50.04 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 119.313 1.557 . . . . 66.290000000000006 109.894 179.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 22.3 mttt . . . . . 0 C--N 1.316 -0.86 0 N-CA-C 113.666 0.987 . . . . 88.879999999999995 113.666 178.36 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . 0.603 ' O ' HG22 ' A' ' 567' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 633' ' ' HOH . . . . . 0.571 ' O ' ' OG ' ' A' ' 596' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 634' ' ' HOH . . . . . 0.715 ' O ' ' NH1' ' A' ' 511' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 638' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 639' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 640' ' ' HOH . . . . . 0.615 ' O ' ' NH2' ' A' ' 527' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_