data_1r0j_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 1r0j _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 121.119 0.485 . . . . 34.92 111.438 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -87.18 148.44 25.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.342 -0.845 . . . . 32.85 111.246 -174.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -73.98 154.18 39.42 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.474 -0.565 . . . . 28.3 109.474 164.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -131.73 143.27 50.13 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 124.664 1.186 . . . . 27.99 108.272 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 m -119.31 132.45 55.89 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.919 0.762 . . . . 25.81 109.745 -176.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.2 t -66.21 111.16 3.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.843 -0.799 . . . . 25.78 108.843 168.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.9 p -78.07 4.98 10.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.263 1.579 . . . . 26.13 115.263 -178.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.8 t -94.99 -40.14 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 122.672 0.389 . . . . 27.06 109.984 172.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.02 -15.88 6.23 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.232 1.567 . . . . 29.55 115.232 -174.359 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.55 -8.89 64.34 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 115.619 1.007 . . . . 27.29 115.619 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -40.23 139.06 0.77 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.655 -0.868 . . . . 28.4 108.655 173.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.14 112.76 41.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 N-CA-C 106.917 -1.512 . . . . 30.9 106.917 176.612 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -76.08 121.26 22.54 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.599 -0.519 . . . . 25.48 109.599 166.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -112.61 115.23 49.31 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.544 -0.909 . . . . 28.91 108.544 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -51.99 -47.22 27.69 Favored 'Trans proline' 0 C--N 1.329 -0.491 0 C-N-CA 120.531 0.82 . . . . 27.94 112.037 -176.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.97 -20.44 52.55 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.475 1.287 . . . . 33.4 114.475 -174.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -102.94 -33.23 9.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.145 0.978 . . . . 28.43 112.831 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.41 -158.96 42.17 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-O 121.438 0.466 . . . . 24.98 111.968 -177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -138.11 61.29 26.53 Favored Pre-proline 0 N--CA 1.47 0.528 0 N-CA-C 106.039 -1.838 . . . . 23.97 106.039 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -47.1 -35.73 19.88 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.021 1.814 . . . . 27.71 116.638 -177.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -66.7 -24.44 66.25 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.571 1.078 . . . . 31.13 112.222 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -106.29 15.89 25.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.466 0.543 . . . . 32.04 112.466 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.16 7.07 64.29 Favored Glycine 0 C--N 1.334 0.436 0 N-CA-C 117.76 1.864 . . . . 25.69 117.76 170.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.3 t -101.64 102.81 14.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 107.0 -1.481 . . . . 23.83 107.0 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -71.73 157.21 90.14 Favored Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 116.405 -0.361 . . . . 25.5 110.957 -173.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -51.97 145.0 34.48 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 121.331 1.354 . . . . 25.0 110.03 171.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.44 1.06 64.51 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 116.445 1.338 . . . . 25.24 116.445 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -91.96 123.69 35.51 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.45 0.643 . . . . 25.6 111.857 -173.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.04 138.34 58.53 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.66 1.584 . . . . 27.52 107.702 173.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -52.89 -40.58 63.61 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.27 0.487 . . . . 27.69 109.853 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -27.0 68.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.833 0.679 . . . . 31.02 112.833 -173.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -91.26 -7.54 50.88 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 113.944 1.091 . . . . 28.36 113.944 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.7 mt -60.87 132.63 91.92 Favored Pre-proline 0 N--CA 1.451 -0.397 0 N-CA-C 106.503 -1.665 . . . . 27.69 106.503 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -41.26 137.1 2.33 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.302 1.335 . . . . 25.53 112.141 171.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -77.87 9.98 3.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 114.174 1.176 . . . . 26.16 114.174 -177.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -106.31 3.02 27.15 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.593 0.633 . . . . 27.17 111.877 171.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -69.21 138.76 54.31 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.323 0.649 . . . . 27.54 111.278 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.09 136.43 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 112.662 0.615 . . . . 29.44 112.662 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 t -30.12 123.38 0.3 Allowed Pre-proline 0 N--CA 1.477 0.924 0 N-CA-C 112.614 0.598 . . . . 30.95 112.614 170.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.59 -38.33 82.91 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 120.988 1.125 . . . . 32.08 113.319 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.2 mt -76.75 -48.04 19.91 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.072 1.508 . . . . 31.41 115.072 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.0 -18.11 12.71 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 117.226 2.306 . . . . 30.56 117.226 -174.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.17 6.48 71.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 116.819 1.488 . . . . 28.21 116.819 170.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 m -80.13 171.46 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 107.454 -1.313 . . . . 27.62 107.454 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.99 168.9 24.93 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 121.116 -0.564 . . . . 25.05 112.802 -171.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -47.76 -38.6 15.87 Favored 'General case' 0 C--O 1.194 -1.841 0 CA-C-O 118.574 -0.727 . . . . 26.81 110.553 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.63 -16.66 6.6 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.548 1.684 . . . . 30.98 115.548 -176.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -92.93 4.14 54.47 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.657 0.984 . . . . 28.36 113.657 171.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -94.4 144.0 25.92 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.696 -0.853 . . . . 27.16 108.696 -177.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -126.42 136.16 52.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.669 0.747 . . . . 29.72 111.0 175.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -50.12 138.1 16.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.513 -1.221 . . . . 34.23 110.414 171.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.0 t -98.46 107.56 20.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 106.909 -1.515 . . . . 33.91 106.909 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 C--O 1.238 0.466 0 N-CA-C 109.318 -0.623 . . . . 39.7 109.318 175.556 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 121.119 0.485 . . . . 34.920000000000002 111.438 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -87.18 148.44 25.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.342 -0.845 . . . . 32.850000000000001 111.246 -174.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -73.98 154.18 39.42 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.474 -0.565 . . . . 30.07 109.474 164.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -131.73 143.27 50.13 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 124.664 1.186 . . . . 27.989999999999998 108.272 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 m -119.31 132.45 55.89 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.919 0.762 . . . . 25.809999999999999 109.745 -176.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . 52.2 t -66.21 111.16 3.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.843 -0.799 . . . . 25.780000000000001 108.843 168.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . 0.436 HG21 ' HG3' ' A' ' 50' ' ' GLU . 45.9 p -78.07 4.98 10.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.263 1.579 . . . . 26.129999999999999 115.263 -178.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.8 t -94.99 -40.14 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 122.672 0.389 . . . . 27.059999999999999 109.984 172.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' SG ' HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -125.02 -15.88 6.23 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.232 1.567 . . . . 29.550000000000001 115.232 -174.359 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.55 -8.89 64.34 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 115.619 1.007 . . . . 27.289999999999999 115.619 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -40.23 139.06 0.77 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.655 -0.868 . . . . 28.399999999999999 108.655 173.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.14 112.76 41.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 N-CA-C 106.917 -1.512 . . . . 30.899999999999999 106.917 176.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -76.08 121.26 22.54 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.599 -0.519 . . . . 25.48 109.599 166.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -112.61 115.23 49.31 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.544 -0.909 . . . . 28.91 108.544 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -51.99 -47.22 27.69 Favored 'Trans proline' 0 C--N 1.329 -0.491 0 C-N-CA 120.531 0.82 . . . . 27.940000000000001 112.037 -176.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.97 -20.44 52.55 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.475 1.287 . . . . 33.399999999999999 114.475 -174.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -102.94 -33.23 9.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.145 0.978 . . . . 28.43 112.831 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.41 -158.96 42.17 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-O 121.438 0.466 . . . . 24.98 111.968 -177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -138.11 61.29 26.53 Favored Pre-proline 0 N--CA 1.47 0.528 0 N-CA-C 106.039 -1.838 . . . . 23.969999999999999 106.039 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -47.1 -35.73 19.88 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.021 1.814 . . . . 27.710000000000001 116.638 -177.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -66.7 -24.44 66.25 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.571 1.078 . . . . 31.129999999999999 112.222 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -106.29 15.89 25.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.466 0.543 . . . . 32.039999999999999 112.466 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.16 7.07 64.29 Favored Glycine 0 C--N 1.334 0.436 0 N-CA-C 117.76 1.864 . . . . 25.690000000000001 117.76 170.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.3 t -101.64 102.81 14.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 107.0 -1.481 . . . . 23.829999999999998 107.0 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -71.73 157.21 90.14 Favored Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 116.405 -0.361 . . . . 25.5 110.957 -173.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -51.97 145.0 34.48 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 121.331 1.354 . . . . 25.0 110.03 171.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.44 1.06 64.51 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 116.445 1.338 . . . . 25.239999999999998 116.445 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -91.96 123.69 35.51 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.45 0.643 . . . . 25.600000000000001 111.857 -173.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.04 138.34 58.53 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.66 1.584 . . . . 27.52 107.702 173.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -52.89 -40.58 63.61 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.27 0.487 . . . . 27.690000000000001 109.853 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -27.0 68.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.833 0.679 . . . . 31.02 112.833 -173.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -91.26 -7.54 50.88 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 113.944 1.091 . . . . 28.359999999999999 113.944 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.7 mt -60.87 132.63 91.92 Favored Pre-proline 0 N--CA 1.451 -0.397 0 N-CA-C 106.503 -1.665 . . . . 27.690000000000001 106.503 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -41.26 137.1 2.33 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.302 1.335 . . . . 25.530000000000001 112.141 171.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -77.87 9.98 3.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 114.174 1.176 . . . . 26.16 114.174 -177.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -106.31 3.02 27.15 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.593 0.633 . . . . 27.170000000000002 111.877 171.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -69.21 138.76 54.31 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.323 0.649 . . . . 27.539999999999999 111.278 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.09 136.43 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 112.662 0.615 . . . . 29.440000000000001 112.662 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 t -30.12 123.38 0.3 Allowed Pre-proline 0 N--CA 1.477 0.924 0 N-CA-C 112.614 0.598 . . . . 30.949999999999999 112.614 170.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.59 -38.33 82.91 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 120.988 1.125 . . . . 32.079999999999998 113.319 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD12 ' SG ' ' A' ' 9' ' ' CYS . 46.2 mt -76.75 -48.04 19.91 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.072 1.508 . . . . 32.420000000000002 115.072 -178.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.0 -18.11 12.71 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 117.226 2.306 . . . . 30.559999999999999 117.226 -174.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.17 6.48 71.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 116.819 1.488 . . . . 28.210000000000001 116.819 170.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 m -80.13 171.46 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 107.454 -1.313 . . . . 27.620000000000001 107.454 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.99 168.9 24.93 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 121.116 -0.564 . . . . 25.050000000000001 112.802 -171.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -47.76 -38.6 15.87 Favored 'General case' 0 C--O 1.194 -1.841 0 CA-C-O 118.574 -0.727 . . . . 26.809999999999999 110.553 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.63 -16.66 6.6 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.548 1.684 . . . . 30.98 115.548 -176.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -92.93 4.14 54.47 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.657 0.984 . . . . 28.359999999999999 113.657 171.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 6' ' ' CYS . 25.2 m-85 -94.4 144.0 25.92 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.696 -0.853 . . . . 27.16 108.696 -177.016 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . 0.436 ' HG3' HG21 ' A' ' 7' ' ' THR . 14.9 mt-10 -126.42 136.16 52.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.669 0.747 . . . . 29.719999999999999 111.0 175.228 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -50.12 138.1 16.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.513 -1.221 . . . . 34.229999999999997 110.414 171.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.0 t -98.46 107.56 20.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 106.909 -1.515 . . . . 33.909999999999997 106.909 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 C--O 1.238 0.466 0 N-CA-C 109.318 -0.623 . . . . 39.700000000000003 109.318 175.556 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 121.119 0.485 . . . . 34.920000000000002 111.438 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -87.18 148.44 25.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.342 -0.845 . . . . 32.850000000000001 111.246 -174.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -73.98 154.18 39.42 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.474 -0.565 . . . . 30.07 109.474 164.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -131.73 143.27 50.13 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 124.664 1.186 . . . . 27.989999999999998 108.272 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 m -119.31 132.45 55.89 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.919 0.762 . . . . 25.809999999999999 109.745 -176.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . 52.2 t -66.21 111.16 3.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.843 -0.799 . . . . 25.780000000000001 108.843 168.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . 0.436 HG21 ' HG3' ' A' ' 50' ' ' GLU . 45.9 p -78.07 4.98 10.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.263 1.579 . . . . 26.129999999999999 115.263 -178.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.8 t -94.99 -40.14 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 122.672 0.389 . . . . 27.059999999999999 109.984 172.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' SG ' HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -125.02 -15.88 6.23 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.232 1.567 . . . . 29.550000000000001 115.232 -174.359 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.55 -8.89 64.34 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 115.619 1.007 . . . . 27.289999999999999 115.619 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -40.23 139.06 0.77 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.655 -0.868 . . . . 28.399999999999999 108.655 173.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.14 112.76 41.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 N-CA-C 106.917 -1.512 . . . . 30.899999999999999 106.917 176.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -76.08 121.26 22.54 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.599 -0.519 . . . . 25.48 109.599 166.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -112.61 115.23 49.31 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.544 -0.909 . . . . 28.91 108.544 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -51.99 -47.22 27.69 Favored 'Trans proline' 0 C--N 1.329 -0.491 0 C-N-CA 120.531 0.82 . . . . 27.940000000000001 112.037 -176.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.97 -20.44 52.55 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.475 1.287 . . . . 33.399999999999999 114.475 -174.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -102.94 -33.23 9.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.145 0.978 . . . . 28.43 112.831 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.41 -158.96 42.17 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-O 121.438 0.466 . . . . 24.98 111.968 -177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -138.11 61.29 26.53 Favored Pre-proline 0 N--CA 1.47 0.528 0 N-CA-C 106.039 -1.838 . . . . 23.969999999999999 106.039 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -47.1 -35.73 19.88 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.021 1.814 . . . . 27.710000000000001 116.638 -177.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -66.7 -24.44 66.25 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.571 1.078 . . . . 31.129999999999999 112.222 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -106.29 15.89 25.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.466 0.543 . . . . 32.039999999999999 112.466 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.16 7.07 64.29 Favored Glycine 0 C--N 1.334 0.436 0 N-CA-C 117.76 1.864 . . . . 25.690000000000001 117.76 170.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.3 t -101.64 102.81 14.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 107.0 -1.481 . . . . 23.829999999999998 107.0 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -71.73 157.21 90.14 Favored Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 116.405 -0.361 . . . . 25.5 110.957 -173.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -51.97 145.0 34.48 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 121.331 1.354 . . . . 25.0 110.03 171.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.44 1.06 64.51 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 116.445 1.338 . . . . 25.239999999999998 116.445 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -91.96 123.69 35.51 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.45 0.643 . . . . 25.600000000000001 111.857 -173.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.04 138.34 58.53 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.66 1.584 . . . . 27.52 107.702 173.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -52.89 -40.58 63.61 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.27 0.487 . . . . 27.690000000000001 109.853 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -27.0 68.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.833 0.679 . . . . 31.02 112.833 -173.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -91.26 -7.54 50.88 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 113.944 1.091 . . . . 28.359999999999999 113.944 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.7 mt -60.87 132.63 91.92 Favored Pre-proline 0 N--CA 1.451 -0.397 0 N-CA-C 106.503 -1.665 . . . . 27.690000000000001 106.503 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -41.26 137.1 2.33 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.302 1.335 . . . . 25.530000000000001 112.141 171.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -77.87 9.98 3.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 114.174 1.176 . . . . 26.16 114.174 -177.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -106.31 3.02 27.15 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.593 0.633 . . . . 27.170000000000002 111.877 171.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -69.21 138.76 54.31 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.323 0.649 . . . . 27.539999999999999 111.278 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.09 136.43 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 112.662 0.615 . . . . 29.440000000000001 112.662 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 t -30.12 123.38 0.3 Allowed Pre-proline 0 N--CA 1.477 0.924 0 N-CA-C 112.614 0.598 . . . . 30.949999999999999 112.614 170.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.59 -38.33 82.91 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 120.988 1.125 . . . . 32.079999999999998 113.319 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD12 ' SG ' ' A' ' 9' ' ' CYS . 46.2 mt -76.75 -48.04 19.91 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.072 1.508 . . . . 32.420000000000002 115.072 -178.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.0 -18.11 12.71 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 117.226 2.306 . . . . 30.559999999999999 117.226 -174.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.17 6.48 71.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 116.819 1.488 . . . . 28.210000000000001 116.819 170.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 m -80.13 171.46 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 107.454 -1.313 . . . . 27.620000000000001 107.454 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.99 168.9 24.93 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 121.116 -0.564 . . . . 25.050000000000001 112.802 -171.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -47.76 -38.6 15.87 Favored 'General case' 0 C--O 1.194 -1.841 0 CA-C-O 118.574 -0.727 . . . . 26.809999999999999 110.553 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.63 -16.66 6.6 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.548 1.684 . . . . 30.98 115.548 -176.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -92.93 4.14 54.47 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.657 0.984 . . . . 28.359999999999999 113.657 171.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 6' ' ' CYS . 25.2 m-85 -94.4 144.0 25.92 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.696 -0.853 . . . . 27.16 108.696 -177.016 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.436 ' HG3' HG21 ' A' ' 7' ' ' THR . 14.9 mt-10 -126.42 136.16 52.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.669 0.747 . . . . 29.719999999999999 111.0 175.228 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -50.12 138.1 16.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.513 -1.221 . . . . 34.229999999999997 110.414 171.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.0 t -98.46 107.56 20.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 106.909 -1.515 . . . . 33.909999999999997 106.909 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 C--O 1.238 0.466 0 N-CA-C 109.318 -0.623 . . . . 39.700000000000003 109.318 175.556 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_