data_4kiv_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 4kiv _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 ' 0' ' ' GLN . . . . . 0.557 ' C ' ' O ' ' A' ' 1' ' ' CYS . . . . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 116.016 1.858 . . . . 37.469999999999999 116.016 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' CYS . . . . . 0.557 ' O ' ' C ' ' A' ' 0' ' ' GLN . 0.0 OUTLIER -67.4 -131.22 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.089 1 N-CA-C 98.14 -4.763 . . . . 36.369999999999997 98.14 169.493 8.249 58.281 99.068 104.07 2.049 104.584 12.097 -103.215 4 4 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TYR . . . . . 0.87 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 38.0 p90 -117.05 167.89 10.75 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.351 -2.092 . . . . 31.219999999999999 105.351 171.939 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HIS . . . . . 0.515 ' O ' ' CA ' ' A' ' 6' ' ' GLY . 79.8 m-70 -123.72 152.49 42.04 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 131.501 3.92 . . . . 27.920000000000002 106.809 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.99 -130.38 8.05 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 127.302 2.876 . . . . 23.460000000000001 110.706 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.2 6.25 12.3 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 111.302 -2.449 . . . . 22.18 106.631 175.856 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 3' ' ' HIS . . . 57.67 50.71 63.02 Favored Glycine 0 N--CA 1.471 0.989 0 CA-C-N 112.473 -2.149 . . . . 24.719999999999999 114.467 177.342 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -83.07 -18.72 38.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 118.676 -0.678 . . . . 31.800000000000001 109.882 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.21 7.89 45.27 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 129.111 2.964 . . . . 24.489999999999998 112.292 -179.894 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -69.85 117.65 11.71 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.747 1.279 . . . . 22.030000000000001 108.163 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.13 47.11 2.36 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 128.024 3.773 . . . . 23.989999999999998 111.357 -179.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 174.76 19.21 Favored Glycine 0 N--CA 1.469 0.851 0 CA-C-N 111.938 -2.392 . . . . 17.789999999999999 107.753 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.7 p -108.36 21.86 16.74 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 110.959 -2.621 . . . . 18.32 116.806 -174.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -77.26 134.42 38.58 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 126.183 1.793 . . . . 18.219999999999999 107.211 -179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . 0.486 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 1.2 p -135.88 19.52 3.26 Favored 'General case' 0 C--O 1.264 1.856 1 N-CA-C 122.025 4.083 . . . . 25.199999999999999 122.025 -175.769 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -105.8 138.29 42.23 Favored 'General case' 0 C--N 1.285 -2.227 1 C-N-CA 134.598 5.159 . . . . 15.91 110.804 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.2 p -84.91 162.43 19.46 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 119.57 1.077 . . . . 20.079999999999998 108.949 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -19.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 O-C-N 119.945 -1.722 . . . . 24.359999999999999 111.285 -178.799 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . 0.672 ' CG2' ' NH2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -99.26 17.35 20.24 Favored 'General case' 0 C--O 1.253 1.238 0 N-CA-C 115.112 1.523 . . . . 20.57 115.112 179.905 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.72 -4.83 13.58 Favored Glycine 0 N--CA 1.477 1.406 0 CA-C-N 120.453 1.479 . . . . 20.199999999999999 114.276 -179.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' NH2' ' CG2' ' A' ' 18' ' ' THR . 2.8 mtm-85 -70.28 160.29 32.48 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.347 -0.983 . . . . 24.59 108.347 177.57 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -108.84 148.06 31.16 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.781 1.232 . . . . 21.530000000000001 112.176 -173.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 14' ' ' SER . 87.5 m -82.96 143.45 30.67 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 124.24 1.972 . . . . 20.34 113.083 -175.379 -67.055 -60.09 -84.965 112.116 2.064 100.993 172.831 79.828 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 31' ' ' HIS . 35.8 tt0 -88.44 123.5 33.04 Favored 'General case' 0 C--N 1.293 -1.854 1 C-N-CA 133.972 4.909 . . . . 16.879999999999999 111.907 176.852 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 230' ' ' HOH . 1.3 m -51.37 139.55 19.18 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 105.468 -2.049 . . . . 16.57 105.468 178.035 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . 0.401 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 97.3 m95 -71.37 -17.14 62.43 Favored 'General case' 0 C--O 1.264 1.839 0 O-C-N 126.711 2.507 . . . . 20.989999999999998 114.004 -175.181 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -36.29 39.83 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 126.985 2.114 . . . . 18.600000000000001 114.359 -179.444 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.85 129.74 40.88 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 130.384 3.474 . . . . 20.370000000000001 116.985 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.2 mmt -93.19 19.42 8.07 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-O 115.078 -2.391 . . . . 19.48 110.897 177.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.65 135.2 16.62 Favored Pre-proline 0 C--O 1.256 1.427 0 C-N-CA 129.335 3.054 . . . . 16.309999999999999 115.473 -176.95 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -63.76 -40.72 0.7 Allowed 'Cis proline' 0 C--O 1.253 1.249 0 O-C-N 124.888 1.994 . . . . 12.869999999999999 116.452 -0.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HIS . . . . . 0.43 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 18.3 m-70 -96.67 134.53 39.81 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 128.436 2.694 . . . . 17.260000000000002 113.653 179.31 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.69 132.53 35.74 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 127.77 2.428 . . . . 38.170000000000002 109.681 178.763 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . 0.401 ' NE2' ' O ' ' A' ' 25' ' ' TRP . 36.1 p-80 -148.48 173.15 13.42 Favored 'General case' 0 C--O 1.263 1.808 0 O-C-N 124.215 0.947 . . . . 27.91 110.782 -178.334 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -115.17 6.16 15.01 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.977 0.894 . . . . 29.84 108.916 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.01 62.99 4.36 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 116.888 -1.53 . . . . 24.280000000000001 109.185 179.863 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.9 p -115.77 157.74 43.83 Favored Pre-proline 0 C--O 1.221 -0.413 0 O-C-N 128.372 3.545 . . . . 21.960000000000001 115.483 -175.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -50.79 -17.03 2.79 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 124.675 3.584 . . . . 18.75 117.385 -177.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.3 6.84 35.6 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 130.424 3.49 . . . . 34.710000000000001 113.335 -176.899 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -128.5 -35.82 1.92 Allowed 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 104.702 -2.333 . . . . 22.600000000000001 104.702 -174.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -128.74 76.82 78.44 Favored Pre-proline 0 C--N 1.311 -1.082 0 O-C-N 128.976 3.922 . . . . 40.759999999999998 108.657 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -59.81 -19.76 55.81 Favored 'Trans proline' 0 CA--C 1.501 -1.131 0 CA-C-N 111.953 -1.838 . . . . 21.030000000000001 114.649 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -120.4 41.3 3.27 Favored 'General case' 0 C--O 1.258 1.529 0 O-C-N 120.598 -1.314 . . . . 22.129999999999999 111.122 -172.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -129.05 20.44 5.87 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 113.409 -3.186 . . . . 21.539999999999999 111.567 -175.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . 0.717 ' O ' ' N ' ' A' ' 47' ' ' THR . . . 54.51 16.69 7.35 Favored Glycine 0 C--N 1.296 -1.663 1 O-C-N 129.799 4.437 . . . . 20.75 114.219 177.742 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . 0.574 ' CB ' ' O ' ' A' ' 218' ' ' HOH . 18.8 mt -55.68 58.88 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 113.985 -1.108 . . . . 20.109999999999999 110.095 -179.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . 0.717 ' N ' ' O ' ' A' ' 45' ' ' GLY . 25.1 m -87.16 138.73 31.24 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 109.716 -0.476 . . . . 23.48 109.716 176.803 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 42.77 -112.61 0.21 Allowed 'General case' 0 C--N 1.307 -1.25 0 O-C-N 126.679 2.487 . . . . 22.710000000000001 110.499 175.14 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.13 -0.62 8.33 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 125.738 1.615 . . . . 20.18 112.144 -171.234 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -55.22 146.4 19.03 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.587 1.555 . . . . 26.079999999999998 111.866 -177.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.4 m -68.27 120.76 14.93 Favored 'General case' 0 CA--C 1.555 1.135 0 O-C-N 126.198 2.186 . . . . 27.079999999999998 110.279 177.057 -46.983 -102.787 -83.712 108.75 1.996 107.035 -157.682 -96.114 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -126.52 177.21 6.63 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 126.73 2.012 . . . . 19.600000000000001 113.275 -177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 31.2 t-20 -141.25 63.34 17.7 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-O 123.687 1.708 . . . . 19.629999999999999 108.025 175.24 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.17 -27.63 85.55 Favored 'Trans proline' 0 C--O 1.254 1.292 0 CA-C-N 113.574 -1.259 . . . . 18.27 114.437 177.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . 0.63 ' OD1' ' CZ2' ' A' ' 62' ' ' TRP . 15.9 p30 -122.53 32.63 5.7 Favored 'General case' 0 C--O 1.263 1.806 0 N-CA-C 118.028 2.603 . . . . 21.84 118.028 -173.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 55' ' ' ASP . . . 62.75 39.6 10.8 Favored 'General case' 0 C--O 1.266 1.939 0 CA-C-O 117.703 -1.142 . . . . 22.050000000000001 113.522 173.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 58' ' ' THR . 25.7 t0 -81.09 -155.28 0.12 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 103.357 -2.831 . . . . 23.989999999999998 103.357 -178.987 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . 0.482 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 1.9 m -106.42 17.51 23.27 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 116.577 2.066 . . . . 29.760000000000002 116.577 -179.245 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.09 159.98 10.66 Favored Glycine 0 N--CA 1.497 2.734 1 N-CA-C 102.786 -4.126 . . . . 23.629999999999999 102.786 -179.823 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.44 149.23 67.26 Favored 'Trans proline' 0 C--O 1.27 2.114 0 O-C-N 124.186 1.624 . . . . 20.219999999999999 112.198 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . 0.63 ' CZ2' ' OD1' ' A' ' 55' ' ' ASP . 6.2 p-90 -139.26 -148.66 0.26 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 119.227 -0.989 . . . . 21.789999999999999 109.12 174.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 62' ' ' TRP . 8.7 p 165.66 148.21 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.213 -1.032 . . . . 19.68 108.213 -179.302 79.828 172.831 -84.965 100.993 2.064 112.116 -60.09 -67.055 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -76.16 173.36 11.44 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 103.321 -2.844 . . . . 25.940000000000001 103.321 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . 0.751 ' CG2' ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -123.12 159.33 28.76 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 118.265 -2.772 . . . . 25.210000000000001 114.659 -171.753 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.5 ttm -72.43 -30.5 64.66 Favored 'General case' 0 N--CA 1.408 -2.547 2 O-C-N 131.792 5.683 . . . . 36.609999999999999 106.292 179.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . 0.662 ' CB ' ' CG2' ' A' ' 65' ' ' THR . 7.3 t0 -68.97 112.43 11.53 Favored Pre-proline 0 C--O 1.248 1.007 0 O-C-N 126.569 2.418 . . . . 29.140000000000001 107.738 178.059 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.42 -19.64 29.67 Favored 'Trans proline' 0 C--O 1.268 2.007 0 C-N-CA 122.383 2.055 . . . . 25.719999999999999 109.639 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 -36.29 12.93 Favored 'General case' 0 C--O 1.254 1.304 0 O-C-N 126.355 2.284 . . . . 24.629999999999999 113.351 -174.859 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . 0.751 ' O ' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -101.87 111.75 32.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 119.572 -1.955 . . . . 25.510000000000002 106.989 175.299 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.1 ttt85 -63.54 -62.42 1.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.655 1.222 . . . . 22.93 108.989 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.79 175.91 9.17 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 107.105 -1.442 . . . . 39.530000000000001 107.105 177.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -171.57 155.07 3.95 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 127.138 2.175 . . . . 25.309999999999999 108.074 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -65.49 -172.98 0.13 Allowed 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 115.18 -2.343 . . . . 21.879999999999999 105.583 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.13 154.94 32.45 Favored 'General case' 0 C--N 1.276 -2.625 1 C-N-CA 132.041 4.136 . . . . 24.66 110.936 177.747 -96.114 -157.682 -83.712 107.035 1.996 108.75 -102.787 -46.983 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -77.92 62.2 2.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.596 -1.184 . . . . 29.890000000000001 113.063 -178.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . 0.26 25.0 mt -120.09 145.23 47.08 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 113.742 -1.572 . . . . 27.190000000000001 109.621 178.824 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -85.1 170.71 12.67 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.965 1.306 . . . . 29.030000000000001 109.298 179.197 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . 0.411 ' N ' ' OG1' ' A' ' 78' ' ' THR . 1.3 tmt_? -91.85 107.45 19.22 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 114.526 -2.87 . . . . 30.34 105.322 176.097 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . 0.87 ' CB ' ' O ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 117.471 -1.252 . . . . 37.950000000000003 108.774 178.538 -103.215 12.097 99.068 104.584 2.049 104.07 58.281 8.249 2 2 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . 0.574 ' O ' ' CB ' ' A' ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' GLN . . . . . 0.557 ' C ' ' O ' ' A' ' 1' ' ' CYS . . . . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 116.016 1.858 . . . . 37.47 116.016 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' CYS . . . . . 0.557 ' O ' ' C ' ' A' ' 0' ' ' GLN . 0.0 OUTLIER -67.4 -131.22 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.089 1 N-CA-C 98.14 -4.763 . . . . 36.37 98.14 169.493 8.249 58.281 99.068 104.07 2.049 104.584 12.097 -103.215 4 4 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TYR . . . . . 1.218 ' O ' ' HB2' ' A' ' 80' ' ' CYS . 38.0 p90 -117.05 167.89 10.75 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.351 -2.092 . . . . 31.22 105.351 171.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HIS . . . . . 0.649 ' O ' ' HA2' ' A' ' 6' ' ' GLY . 79.8 m-70 -123.72 152.49 42.04 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 131.501 3.92 . . . . 27.92 106.809 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' H ' ' A' ' 6' ' ' GLY . . . 44.99 -130.38 8.05 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 127.302 2.876 . . . . 23.46 110.706 -177.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' OD1' ' HG3' ' A' ' 7' ' ' GLN . 28.4 p-10 -80.2 6.25 12.3 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 111.302 -2.449 . . . . 22.18 106.631 175.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . 0.649 ' HA2' ' O ' ' A' ' 3' ' ' HIS . . . 57.67 50.71 63.02 Favored Glycine 0 N--CA 1.471 0.989 0 CA-C-N 112.473 -2.149 . . . . 24.72 114.467 177.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' HG3' ' OD1' ' A' ' 5' ' ' ASN . 2.1 mt-30 -83.07 -18.72 38.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 118.676 -0.678 . . . . 31.8 109.882 176.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.21 7.89 45.27 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 129.111 2.964 . . . . 24.49 112.292 -179.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -69.85 117.65 11.71 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.747 1.279 . . . . 22.03 108.163 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.13 47.11 2.36 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 128.024 3.773 . . . . 23.99 111.357 -179.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 174.76 19.21 Favored Glycine 0 N--CA 1.469 0.851 0 CA-C-N 111.938 -2.392 . . . . 17.79 107.753 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . 0.409 ' HA ' ' CD1' ' A' ' 50' ' ' TYR . 63.7 p -108.36 21.86 16.74 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 110.959 -2.621 . . . . 18.32 116.806 -174.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -77.26 134.42 38.58 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 126.183 1.793 . . . . 18.22 107.211 -179.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . 0.486 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 1.2 p -135.88 19.52 3.26 Favored 'General case' 0 C--O 1.264 1.856 1 N-CA-C 122.025 4.083 . . . . 25.2 122.025 -175.769 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -105.8 138.29 42.23 Favored 'General case' 0 C--N 1.285 -2.227 1 C-N-CA 134.598 5.159 . . . . 15.91 110.804 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.2 p -84.91 162.43 19.46 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 119.57 1.077 . . . . 20.08 108.949 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . 0.586 HG12 ' OD1' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -51.68 -19.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 O-C-N 119.945 -1.722 . . . . 24.36 111.285 -178.799 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . 1.14 HG21 HH21 ' A' ' 20' ' ' ARG . 0.4 OUTLIER -99.26 17.35 20.24 Favored 'General case' 0 C--O 1.253 1.238 0 N-CA-C 115.112 1.523 . . . . 20.57 115.112 179.905 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.72 -4.83 13.58 Favored Glycine 0 N--CA 1.477 1.406 0 CA-C-N 120.453 1.479 . . . . 20.2 114.276 -179.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . 1.14 HH21 HG21 ' A' ' 18' ' ' THR . 2.8 mtm-85 -70.28 160.29 32.48 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.347 -0.983 . . . . 24.59 108.347 177.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -108.84 148.06 31.16 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.781 1.232 . . . . 21.53 112.176 -173.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 14' ' ' SER . 87.5 m -82.96 143.45 30.67 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 124.24 1.972 . . . . 20.34 113.083 -175.379 -67.055 -60.09 -84.965 112.116 2.064 100.993 172.831 79.828 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . 0.699 ' HA ' ' O ' ' A' ' 236' ' ' HOH . 35.8 tt0 -88.44 123.5 33.04 Favored 'General case' 0 C--N 1.293 -1.854 1 C-N-CA 133.972 4.909 . . . . 16.88 111.907 176.852 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . 0.698 ' HA ' ' O ' ' A' ' 48' ' ' MET . 1.3 m -51.37 139.55 19.18 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 105.468 -2.049 . . . . 16.57 105.468 178.035 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . 0.761 ' O ' HG22 ' A' ' 37' ' ' THR . 97.3 m95 -71.37 -17.14 62.43 Favored 'General case' 0 C--O 1.264 1.839 0 O-C-N 126.711 2.507 . . . . 20.99 114.004 -175.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -36.29 39.83 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 126.985 2.114 . . . . 18.6 114.359 -179.444 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.85 129.74 40.88 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 130.384 3.474 . . . . 20.37 116.985 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.2 mmt -93.19 19.42 8.07 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-O 115.078 -2.391 . . . . 19.48 110.897 177.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -139.65 135.2 16.62 Favored Pre-proline 0 C--O 1.256 1.427 0 C-N-CA 129.335 3.054 . . . . 16.31 115.473 -176.95 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HA ' HG22 ' A' ' 29' ' ' THR . 22.8 Cg_exo -63.76 -40.72 0.7 Allowed 'Cis proline' 0 C--O 1.253 1.249 0 O-C-N 124.888 1.994 . . . . 12.87 116.452 -0.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' CE1' ' HA ' ' A' ' 71' ' ' ARG . 18.3 m-70 -96.67 134.53 39.81 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 128.436 2.694 . . . . 17.26 113.653 179.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' HG2' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -90.69 132.53 35.74 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 127.77 2.428 . . . . 38.17 109.681 178.763 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -148.48 173.15 13.42 Favored 'General case' 0 C--O 1.263 1.808 0 O-C-N 124.215 0.947 . . . . 27.91 110.782 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' ' HE1' ' A' ' 41' ' ' TYR . 92.0 mm-40 -115.17 6.16 15.01 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.977 0.894 . . . . 29.84 108.916 178.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' HG2' ' CG ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -92.01 62.99 4.36 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 116.888 -1.53 . . . . 24.28 109.185 179.863 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 25' ' ' TRP . 66.9 p -115.77 157.74 43.83 Favored Pre-proline 0 C--O 1.221 -0.413 0 O-C-N 128.372 3.545 . . . . 21.96 115.483 -175.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 37' ' ' THR . 25.4 Cg_exo -50.79 -17.03 2.79 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 124.675 3.584 . . . . 18.75 117.385 -177.234 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.3 6.84 35.6 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 130.424 3.49 . . . . 34.71 113.335 -176.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . 0.44 ' C ' ' HD3' ' A' ' 42' ' ' PRO . 50.0 m-20 -128.5 -35.82 1.92 Allowed 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 104.702 -2.333 . . . . 22.6 104.702 -174.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 39.3 m-85 -128.74 76.82 78.44 Favored Pre-proline 0 C--N 1.311 -1.082 0 O-C-N 128.976 3.922 . . . . 40.76 108.657 179.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 40' ' ' ASN . 11.8 Cg_exo -59.81 -19.76 55.81 Favored 'Trans proline' 0 CA--C 1.501 -1.131 0 CA-C-N 111.953 -1.838 . . . . 21.03 114.649 -178.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -120.4 41.3 3.27 Favored 'General case' 0 C--O 1.258 1.529 0 O-C-N 120.598 -1.314 . . . . 22.13 111.122 -172.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . 0.567 ' OD2' ' HB3' ' A' ' 41' ' ' TYR . 88.6 m-20 -129.05 20.44 5.87 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 113.409 -3.186 . . . . 21.54 111.567 -175.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . 0.717 ' O ' ' N ' ' A' ' 47' ' ' THR . . . 54.51 16.69 7.35 Favored Glycine 0 C--N 1.296 -1.663 1 O-C-N 129.799 4.437 . . . . 20.75 114.219 177.742 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . 0.918 ' HB2' ' O ' ' A' ' 218' ' ' HOH . 18.8 mt -55.68 58.88 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 113.985 -1.108 . . . . 20.11 110.095 -179.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . 0.93 HG22 ' HG3' ' A' ' 48' ' ' MET . 25.1 m -87.16 138.73 31.24 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 109.716 -0.476 . . . . 23.48 109.716 176.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' MET . . . . . 0.93 ' HG3' HG22 ' A' ' 47' ' ' THR . 0.7 OUTLIER 42.77 -112.61 0.21 Allowed 'General case' 0 C--N 1.307 -1.25 0 O-C-N 126.679 2.487 . . . . 22.71 110.499 175.14 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . 0.691 ' HB3' ' O ' ' A' ' 230' ' ' HOH . 0.1 OUTLIER -124.13 -0.62 8.33 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 125.738 1.615 . . . . 20.18 112.144 -171.234 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' ' HA ' ' A' ' 12' ' ' THR . 20.1 m-85 -55.22 146.4 19.03 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.587 1.555 . . . . 26.08 111.866 -177.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.4 m -68.27 120.76 14.93 Favored 'General case' 0 CA--C 1.555 1.135 0 O-C-N 126.198 2.186 . . . . 27.08 110.279 177.057 -46.983 -102.787 -83.712 108.75 1.996 107.035 -157.682 -96.114 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . 0.792 ' HB3' ' HD3' ' A' ' 54' ' ' PRO . 1.4 mpt_? -126.52 177.21 6.63 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 126.73 2.012 . . . . 19.6 113.275 -177.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -141.25 63.34 17.7 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-O 123.687 1.708 . . . . 19.63 108.025 175.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' A' ' 52' ' ' ARG . 19.3 Cg_endo -59.17 -27.63 85.55 Favored 'Trans proline' 0 C--O 1.254 1.292 0 CA-C-N 113.574 -1.259 . . . . 18.27 114.437 177.086 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . 0.675 ' OD1' ' HZ2' ' A' ' 62' ' ' TRP . 15.9 p30 -122.53 32.63 5.7 Favored 'General case' 0 C--O 1.263 1.806 0 N-CA-C 118.028 2.603 . . . . 21.84 118.028 -173.056 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 55' ' ' ASP . . . 62.75 39.6 10.8 Favored 'General case' 0 C--O 1.266 1.939 0 CA-C-O 117.703 -1.142 . . . . 22.05 113.522 173.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 58' ' ' THR . 25.7 t0 -81.09 -155.28 0.12 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 103.357 -2.831 . . . . 23.99 103.357 -178.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 58' ' ' THR . 1.9 m -106.42 17.51 23.27 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 116.577 2.066 . . . . 29.76 116.577 -179.245 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.09 159.98 10.66 Favored Glycine 0 N--CA 1.497 2.734 1 N-CA-C 102.786 -4.126 . . . . 23.63 102.786 -179.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . 0.55 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 38.3 Cg_exo -57.44 149.23 67.26 Favored 'Trans proline' 0 C--O 1.27 2.114 0 O-C-N 124.186 1.624 . . . . 20.22 112.198 -178.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . 0.785 ' O ' ' HB3' ' A' ' 63' ' ' CYS . 6.2 p-90 -139.26 -148.66 0.26 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 119.227 -0.989 . . . . 21.79 109.12 174.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' CYS . . . . . 0.785 ' HB3' ' O ' ' A' ' 62' ' ' TRP . 8.7 p 165.66 148.21 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.213 -1.032 . . . . 19.68 108.213 -179.302 79.828 172.831 -84.965 100.993 2.064 112.116 -60.09 -67.055 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HA ' ' O ' ' A' ' 71' ' ' ARG . 95.7 m-85 -76.16 173.36 11.44 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 103.321 -2.844 . . . . 25.94 103.321 176.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . 1.043 HG23 ' H ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -123.12 159.33 28.76 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 118.265 -2.772 . . . . 25.21 114.659 -171.753 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.5 ttm -72.43 -30.5 64.66 Favored 'General case' 0 N--CA 1.408 -2.547 2 O-C-N 131.792 5.683 . . . . 36.61 106.292 179.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . 1.043 ' H ' HG23 ' A' ' 65' ' ' THR . 7.3 t0 -68.97 112.43 11.53 Favored Pre-proline 0 C--O 1.248 1.007 0 O-C-N 126.569 2.418 . . . . 29.14 107.738 178.059 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.42 -19.64 29.67 Favored 'Trans proline' 0 C--O 1.268 2.007 0 C-N-CA 122.383 2.055 . . . . 25.72 109.639 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . 0.604 ' HB2' ' OD1' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -92.83 -36.29 12.93 Favored 'General case' 0 C--O 1.254 1.304 0 O-C-N 126.355 2.284 . . . . 24.63 113.351 -174.859 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . 0.789 ' O ' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -101.87 111.75 32.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 119.572 -1.955 . . . . 25.51 106.989 175.299 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . 0.5 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 44.1 ttt85 -63.54 -62.42 1.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.655 1.222 . . . . 22.93 108.989 -179.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . 0.425 ' HG3' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -137.79 175.91 9.17 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 107.105 -1.442 . . . . 39.53 107.105 177.43 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -171.57 155.07 3.95 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 127.138 2.175 . . . . 25.31 108.074 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -65.49 -172.98 0.13 Allowed 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 115.18 -2.343 . . . . 21.88 105.583 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.13 154.94 32.45 Favored 'General case' 0 C--N 1.276 -2.625 1 C-N-CA 132.041 4.136 . . . . 24.66 110.936 177.747 -96.114 -157.682 -83.712 107.035 1.996 108.75 -102.787 -46.983 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASN . . . . . 0.586 ' OD1' HG12 ' A' ' 17' ' ' VAL . 2.7 t30 -77.92 62.2 2.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.596 -1.184 . . . . 29.89 113.063 -178.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . 0.26 25.0 mt -120.09 145.23 47.08 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 113.742 -1.572 . . . . 27.19 109.621 178.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -85.1 170.71 12.67 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.965 1.306 . . . . 29.03 109.298 179.197 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . 0.411 ' N ' ' OG1' ' A' ' 78' ' ' THR . 1.3 tmt_? -91.85 107.45 19.22 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 114.526 -2.87 . . . . 30.34 105.322 176.097 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . 1.218 ' HB2' ' O ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 117.471 -1.252 . . . . 37.95 108.774 178.538 -103.215 12.097 99.068 104.584 2.049 104.07 58.281 8.249 2 2 . 1 . 001 ecloud build full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . 0.918 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . 0.439 ' O ' ' HD2' ' A' ' 64' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . 0.691 ' O ' ' HB3' ' A' ' 49' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . 0.699 ' O ' ' HA ' ' A' ' 23' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' GLN . . . . . 0.557 ' C ' ' O ' ' A' ' 1' ' ' CYS . . . . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 116.016 1.858 . . . . 37.469999999999999 116.016 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.557 ' O ' ' C ' ' A' ' 0' ' ' GLN . 0.0 OUTLIER -67.4 -131.22 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.089 1 N-CA-C 98.14 -4.763 . . . . 36.369999999999997 98.14 169.493 8.249 58.281 99.068 104.07 2.049 104.584 12.097 -103.215 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TYR . . . . . 1.218 ' O ' ' HB2' ' A' ' 80' ' ' CYS . 38.0 p90 -117.05 167.89 10.75 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.351 -2.092 . . . . 31.219999999999999 105.351 171.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.649 ' O ' ' HA2' ' A' ' 6' ' ' GLY . 79.8 m-70 -123.72 152.49 42.04 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 131.501 3.92 . . . . 27.920000000000002 106.809 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' H ' ' A' ' 6' ' ' GLY . . . 44.99 -130.38 8.05 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 127.302 2.876 . . . . 23.460000000000001 110.706 -177.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.613 HD21 ' HG3' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -80.2 6.25 12.3 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 111.302 -2.449 . . . . 22.18 106.631 175.856 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.649 ' HA2' ' O ' ' A' ' 3' ' ' HIS . . . 57.67 50.71 63.02 Favored Glycine 0 N--CA 1.471 0.989 0 CA-C-N 112.473 -2.149 . . . . 24.719999999999999 114.467 177.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.613 ' HG3' HD21 ' A' ' 5' ' ' ASN . 2.1 mt-30 -83.07 -18.72 38.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 118.676 -0.678 . . . . 31.800000000000001 109.882 176.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.21 7.89 45.27 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 129.111 2.964 . . . . 24.489999999999998 112.292 -179.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -69.85 117.65 11.71 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.747 1.279 . . . . 22.030000000000001 108.163 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.13 47.11 2.36 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 128.024 3.773 . . . . 23.989999999999998 111.357 -179.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 174.76 19.21 Favored Glycine 0 N--CA 1.469 0.851 0 CA-C-N 111.938 -2.392 . . . . 17.789999999999999 107.753 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . 0.409 ' HA ' ' CD1' ' A' ' 50' ' ' TYR . 63.7 p -108.36 21.86 16.74 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 110.959 -2.621 . . . . 18.32 116.806 -174.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -77.26 134.42 38.58 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 126.183 1.793 . . . . 18.219999999999999 107.211 -179.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . 0.486 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 1.2 p -135.88 19.52 3.26 Favored 'General case' 0 C--O 1.264 1.856 1 N-CA-C 122.025 4.083 . . . . 25.199999999999999 122.025 -175.769 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -105.8 138.29 42.23 Favored 'General case' 0 C--N 1.285 -2.227 1 C-N-CA 134.598 5.159 . . . . 15.91 110.804 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.2 p -84.91 162.43 19.46 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 119.57 1.077 . . . . 20.079999999999998 108.949 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.586 HG12 ' OD1' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -51.68 -19.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 O-C-N 119.945 -1.722 . . . . 24.359999999999999 111.285 -178.799 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . 1.14 HG21 HH21 ' A' ' 20' ' ' ARG . 0.4 OUTLIER -99.26 17.35 20.24 Favored 'General case' 0 C--O 1.253 1.238 0 N-CA-C 115.112 1.523 . . . . 20.57 115.112 179.905 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.72 -4.83 13.58 Favored Glycine 0 N--CA 1.477 1.406 0 CA-C-N 120.453 1.479 . . . . 20.199999999999999 114.276 -179.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . 1.14 HH21 HG21 ' A' ' 18' ' ' THR . 2.8 mtm-85 -70.28 160.29 32.48 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.347 -0.983 . . . . 24.59 108.347 177.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -108.84 148.06 31.16 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.781 1.232 . . . . 21.530000000000001 112.176 -173.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 14' ' ' SER . 87.5 m -82.96 143.45 30.67 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 124.24 1.972 . . . . 20.34 113.083 -175.379 -67.055 -60.09 -84.965 112.116 2.064 100.993 172.831 79.828 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.699 ' HA ' ' O ' ' A' ' 236' ' ' HOH . 35.8 tt0 -88.44 123.5 33.04 Favored 'General case' 0 C--N 1.293 -1.854 1 C-N-CA 133.972 4.909 . . . . 16.879999999999999 111.907 176.852 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . 0.698 ' HA ' ' O ' ' A' ' 48' ' ' MET . 1.3 m -51.37 139.55 19.18 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 105.468 -2.049 . . . . 16.57 105.468 178.035 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.761 ' O ' HG22 ' A' ' 37' ' ' THR . 97.3 m95 -71.37 -17.14 62.43 Favored 'General case' 0 C--O 1.264 1.839 0 O-C-N 126.711 2.507 . . . . 20.989999999999998 114.004 -175.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -36.29 39.83 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 126.985 2.114 . . . . 18.600000000000001 114.359 -179.444 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -66.85 129.74 40.88 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 130.384 3.474 . . . . 20.370000000000001 116.985 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.2 mmt -93.19 19.42 8.07 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-O 115.078 -2.391 . . . . 19.48 110.897 177.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -139.65 135.2 16.62 Favored Pre-proline 0 C--O 1.256 1.427 0 C-N-CA 129.335 3.054 . . . . 16.309999999999999 115.473 -176.95 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HA ' HG22 ' A' ' 29' ' ' THR . 22.8 Cg_exo -63.76 -40.72 0.7 Allowed 'Cis proline' 0 C--O 1.253 1.249 0 O-C-N 124.888 1.994 . . . . 12.869999999999999 116.452 -0.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' CE1' ' HA ' ' A' ' 71' ' ' ARG . 18.3 m-70 -96.67 134.53 39.81 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 128.436 2.694 . . . . 17.260000000000002 113.653 179.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' HG2' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -90.69 132.53 35.74 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 127.77 2.428 . . . . 38.170000000000002 109.681 178.763 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -148.48 173.15 13.42 Favored 'General case' 0 C--O 1.263 1.808 0 O-C-N 124.215 0.947 . . . . 27.91 110.782 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' ' HE1' ' A' ' 41' ' ' TYR . 92.0 mm-40 -115.17 6.16 15.01 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.977 0.894 . . . . 29.84 108.916 178.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' HG2' ' CG ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -92.01 62.99 4.36 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 116.888 -1.53 . . . . 24.280000000000001 109.185 179.863 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 25' ' ' TRP . 66.9 p -115.77 157.74 43.83 Favored Pre-proline 0 C--O 1.221 -0.413 0 O-C-N 128.372 3.545 . . . . 21.960000000000001 115.483 -175.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 37' ' ' THR . 25.4 Cg_exo -50.79 -17.03 2.79 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 124.675 3.584 . . . . 18.75 117.385 -177.234 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.3 6.84 35.6 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 130.424 3.49 . . . . 34.710000000000001 113.335 -176.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.44 ' C ' ' HD3' ' A' ' 42' ' ' PRO . 50.0 m-20 -128.5 -35.82 1.92 Allowed 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 104.702 -2.333 . . . . 22.600000000000001 104.702 -174.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 39.3 m-85 -128.74 76.82 78.44 Favored Pre-proline 0 C--N 1.311 -1.082 0 O-C-N 128.976 3.922 . . . . 40.759999999999998 108.657 179.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 40' ' ' ASN . 11.8 Cg_exo -59.81 -19.76 55.81 Favored 'Trans proline' 0 CA--C 1.501 -1.131 0 CA-C-N 111.953 -1.838 . . . . 21.030000000000001 114.649 -178.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -120.4 41.3 3.27 Favored 'General case' 0 C--O 1.258 1.529 0 O-C-N 120.598 -1.314 . . . . 22.129999999999999 111.122 -172.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.567 ' OD2' ' HB3' ' A' ' 41' ' ' TYR . 88.6 m-20 -129.05 20.44 5.87 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 113.409 -3.186 . . . . 21.539999999999999 111.567 -175.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.717 ' O ' ' N ' ' A' ' 47' ' ' THR . . . 54.51 16.69 7.35 Favored Glycine 0 C--N 1.296 -1.663 1 O-C-N 129.799 4.437 . . . . 20.75 114.219 177.742 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.918 ' HB2' ' O ' ' A' ' 218' ' ' HOH . 18.8 mt -55.68 58.88 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 113.985 -1.108 . . . . 20.109999999999999 110.095 -179.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . 0.93 HG22 ' HG3' ' A' ' 48' ' ' MET . 25.1 m -87.16 138.73 31.24 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 109.716 -0.476 . . . . 23.48 109.716 176.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' MET . . . . . 0.93 ' HG3' HG22 ' A' ' 47' ' ' THR . 0.7 OUTLIER 42.77 -112.61 0.21 Allowed 'General case' 0 C--N 1.307 -1.25 0 O-C-N 126.679 2.487 . . . . 22.710000000000001 110.499 175.14 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.691 ' HB3' ' O ' ' A' ' 230' ' ' HOH . 0.1 OUTLIER -124.13 -0.62 8.33 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 125.738 1.615 . . . . 20.18 112.144 -171.234 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' ' HA ' ' A' ' 12' ' ' THR . 20.1 m-85 -55.22 146.4 19.03 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.587 1.555 . . . . 26.079999999999998 111.866 -177.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.4 m -68.27 120.76 14.93 Favored 'General case' 0 CA--C 1.555 1.135 0 O-C-N 126.198 2.186 . . . . 27.079999999999998 110.279 177.057 -46.983 -102.787 -83.712 108.75 1.996 107.035 -157.682 -96.114 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.792 ' HB3' ' HD3' ' A' ' 54' ' ' PRO . 1.4 mpt_? -126.52 177.21 6.63 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 126.73 2.012 . . . . 19.600000000000001 113.275 -177.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -141.25 63.34 17.7 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-O 123.687 1.708 . . . . 19.629999999999999 108.025 175.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' A' ' 52' ' ' ARG . 19.3 Cg_endo -59.17 -27.63 85.55 Favored 'Trans proline' 0 C--O 1.254 1.292 0 CA-C-N 113.574 -1.259 . . . . 18.27 114.437 177.086 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.675 ' OD1' ' HZ2' ' A' ' 62' ' ' TRP . 15.9 p30 -122.53 32.63 5.7 Favored 'General case' 0 C--O 1.263 1.806 0 N-CA-C 118.028 2.603 . . . . 21.84 118.028 -173.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 55' ' ' ASP . . . 62.75 39.6 10.8 Favored 'General case' 0 C--O 1.266 1.939 0 CA-C-O 117.703 -1.142 . . . . 22.050000000000001 113.522 173.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 58' ' ' THR . 25.7 t0 -81.09 -155.28 0.12 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 103.357 -2.831 . . . . 23.989999999999998 103.357 -178.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 58' ' ' THR . 1.9 m -106.42 17.51 23.27 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 116.577 2.066 . . . . 29.760000000000002 116.577 -179.245 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.09 159.98 10.66 Favored Glycine 0 N--CA 1.497 2.734 1 N-CA-C 102.786 -4.126 . . . . 23.629999999999999 102.786 -179.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.55 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 38.3 Cg_exo -57.44 149.23 67.26 Favored 'Trans proline' 0 C--O 1.27 2.114 0 O-C-N 124.186 1.624 . . . . 20.219999999999999 112.198 -178.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.785 ' O ' ' HB3' ' A' ' 63' ' ' CYS . 6.2 p-90 -139.26 -148.66 0.26 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 119.227 -0.989 . . . . 21.789999999999999 109.12 174.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.785 ' HB3' ' O ' ' A' ' 62' ' ' TRP . 8.7 p 165.66 148.21 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.213 -1.032 . . . . 19.68 108.213 -179.302 79.828 172.831 -84.965 100.993 2.064 112.116 -60.09 -67.055 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HA ' ' O ' ' A' ' 71' ' ' ARG . 95.7 m-85 -76.16 173.36 11.44 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 103.321 -2.844 . . . . 25.940000000000001 103.321 176.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . 1.043 HG23 ' H ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -123.12 159.33 28.76 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 118.265 -2.772 . . . . 25.210000000000001 114.659 -171.753 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.5 ttm -72.43 -30.5 64.66 Favored 'General case' 0 N--CA 1.408 -2.547 2 O-C-N 131.792 5.683 . . . . 36.609999999999999 106.292 179.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . 1.043 ' H ' HG23 ' A' ' 65' ' ' THR . 7.3 t0 -68.97 112.43 11.53 Favored Pre-proline 0 C--O 1.248 1.007 0 O-C-N 126.569 2.418 . . . . 29.140000000000001 107.738 178.059 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.42 -19.64 29.67 Favored 'Trans proline' 0 C--O 1.268 2.007 0 C-N-CA 122.383 2.055 . . . . 25.719999999999999 109.639 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . 0.604 ' HB2' ' OD1' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -92.83 -36.29 12.93 Favored 'General case' 0 C--O 1.254 1.304 0 O-C-N 126.355 2.284 . . . . 24.629999999999999 113.351 -174.859 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.789 ' O ' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -101.87 111.75 32.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 119.572 -1.955 . . . . 25.510000000000002 106.989 175.299 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.5 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 44.1 ttt85 -63.54 -62.42 1.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.655 1.222 . . . . 22.93 108.989 -179.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.425 ' HG3' ' HG2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -137.79 175.91 9.17 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 107.105 -1.442 . . . . 39.530000000000001 107.105 177.43 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -171.57 155.07 3.95 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 127.138 2.175 . . . . 25.309999999999999 108.074 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -65.49 -172.98 0.13 Allowed 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 115.18 -2.343 . . . . 21.879999999999999 105.583 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.13 154.94 32.45 Favored 'General case' 0 C--N 1.276 -2.625 1 C-N-CA 132.041 4.136 . . . . 24.66 110.936 177.747 -96.114 -157.682 -83.712 107.035 1.996 108.75 -102.787 -46.983 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.586 ' OD1' HG12 ' A' ' 17' ' ' VAL . 2.7 t30 -77.92 62.2 2.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.596 -1.184 . . . . 29.890000000000001 113.063 -178.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . 0.26 25.0 mt -120.09 145.23 47.08 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 113.742 -1.572 . . . . 27.190000000000001 109.621 178.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -85.1 170.71 12.67 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.965 1.306 . . . . 29.030000000000001 109.298 179.197 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.411 ' N ' ' OG1' ' A' ' 78' ' ' THR . 1.3 tmt_? -91.85 107.45 19.22 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 114.526 -2.87 . . . . 30.34 105.322 176.097 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . 1.218 ' HB2' ' O ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 117.471 -1.252 . . . . 37.950000000000003 108.774 178.538 -103.215 12.097 99.068 104.584 2.049 104.07 58.281 8.249 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . 0.918 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . 0.439 ' O ' ' HD2' ' A' ' 64' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . 0.691 ' O ' ' HB3' ' A' ' 49' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . 0.699 ' O ' ' HA ' ' A' ' 23' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_