data_6rtq_residue ############################ # Computer software used # ############################ 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 6rtq _Structure_validation_residue.Date_analyzed 2019-08-09 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 ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 108.171 -1.048 . . . . 102.18 108.171 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . 0.702 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 3.1 pp -126.7 127.65 45.46 Favored 'General case' 0 C--O 1.262 1.756 0 C-N-CA 125.909 1.684 . . . . 112.34 107.654 -159.842 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.08 44.29 2.99 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 125.649 1.843 . . . . 113.87 108.28 170.664 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.89 132.73 45.68 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.205 0.911 . . . . 109.23 108.732 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.38 -175.14 47.55 Favored Glycine 0 C--O 1.273 2.579 0 C-N-CA 124.882 1.229 . . . . 80.05 112.047 -157.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.47 134.89 33.65 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.313 -0.625 . . . . 76.34 109.313 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.6 p -122.91 153.34 39.81 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.203 0.601 . . . . 61.15 111.295 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -116.14 124.56 50.65 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-O 118.597 -0.716 . . . . 75.81 110.168 -172.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -127.12 123.07 35.94 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 115.943 -1.98 . . . . 62.12 109.23 -171.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 t -117.73 128.23 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.304 0 O-C-N 125.583 1.802 . . . . 61.52 109.374 -170.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . 0.88 ' ND2' ' O ' ' A' ' 202' ' ' HOH . 30.5 p30 -92.54 175.71 6.73 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 124.514 1.134 . . . . 52.33 108.335 -175.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -54.53 -40.01 68.23 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 125.977 1.711 . . . . 83.98 109.852 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -87.75 7.3 30.92 Favored 'General case' 0 C--O 1.271 2.206 0 CA-C-N 118.639 0.654 . . . . 70.94 111.225 -177.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.56 -13.17 64.73 Favored Glycine 0 N--CA 1.477 1.378 0 CA-C-O 115.9 -2.611 . . . . 65.85 114.71 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -55.5 150.4 12.01 Favored 'General case' 0 C--O 1.266 1.97 0 CA-C-N 120.717 2.259 . . . . 69.19 110.818 173.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' ILE . 22.7 t -125.0 124.94 68.71 Favored 'Isoleucine or valine' 0 C--O 1.279 2.619 0 O-C-N 124.334 1.021 . . . . 84.43 108.893 -166.365 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.68 119.22 38.48 Favored 'General case' 0 C--O 1.276 2.456 0 O-C-N 125.876 1.985 . . . . 58.32 108.102 170.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -107.68 118.06 35.75 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 125.023 1.452 . . . . 71.59 107.669 170.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -104.66 138.33 41.14 Favored 'General case' 0 C--O 1.273 2.305 0 CA-C-O 122.065 0.936 . . . . 51.77 111.033 -169.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.55 138.47 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.585 -1.322 . . . . 68.14 108.247 163.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -117.33 128.22 54.83 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.523 1.139 . . . . 51.37 110.045 -173.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 m -126.37 136.12 28.17 Favored Pre-proline 0 N--CA 1.474 0.762 0 N-CA-C 107.885 -1.154 . . . . 61.6 107.885 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -66.78 138.48 49.01 Favored 'Trans proline' 0 C--O 1.192 -1.779 0 N-CA-C 104.604 -2.883 . . . . 65.61 104.604 -172.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -63.98 136.86 96.92 Favored Pre-proline 0 N--CA 1.478 0.948 0 N-CA-C 107.074 -1.454 . . . . 62.18 107.074 165.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -67.76 -11.58 32.59 Favored 'Trans proline' 0 C--O 1.17 -2.894 0 CA-C-O 115.033 -2.153 . . . . 66.72 115.828 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.9 p -137.93 -20.45 1.13 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 115.811 -2.042 . . . . 56.9 111.397 -162.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -105.73 108.54 61.76 Favored Pre-proline 0 N--CA 1.476 0.865 0 CA-C-N 119.944 1.247 . . . . 50.71 108.427 -169.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.74 128.46 24.18 Favored 'Trans proline' 0 C--O 1.268 2.02 0 C-N-CA 121.196 1.264 . . . . 51.82 111.141 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 57.9 31.98 21.31 Favored 'General case' 0 C--O 1.275 2.43 0 O-C-N 125.557 1.786 . . . . 68.04 110.984 171.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.5 m -116.18 137.9 51.74 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 117.411 -1.28 . . . . 50.27 108.421 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -122.37 136.33 54.88 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 125.814 1.946 . . . . 58.73 109.1 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.97 132.17 46.26 Favored 'General case' 0 C--O 1.26 1.65 0 O-C-N 126.913 2.633 . . . . 82.23 106.403 165.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.3 t -103.08 126.04 57.43 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 O-C-N 125.659 1.85 . . . . 55.13 106.03 -176.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.2 p -126.11 -175.94 3.5 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 108.321 -0.992 . . . . 50.14 108.321 166.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.82 -152.97 19.8 Favored Glycine 0 C--O 1.218 -0.903 0 N-CA-C 108.393 -1.883 . . . . 47.19 108.393 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -146.03 143.01 29.16 Favored 'General case' 1 C--O 1.31 4.277 0 O-C-N 125.662 1.448 . . . . 70.22 107.752 -164.395 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -119.75 129.63 54.58 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 126.715 2.509 . . . . 73.78 108.657 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' VAL . 2.6 mp -122.8 106.48 17.65 Favored 'Isoleucine or valine' 0 C--O 1.291 3.275 0 N-CA-C 104.672 -2.344 . . . . 69.27 104.672 174.643 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -72.91 115.23 11.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 128.834 3.834 . . . . 72.25 110.862 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -128.48 33.45 4.68 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 117.21 -1.376 . . . . 79.38 110.839 -170.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . 0.508 ' O ' ' OG1' ' A' ' 55' ' ' THR . . . -92.27 141.67 28.3 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 116.693 -1.622 . . . . 97.77 109.6 -176.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -48.15 -62.19 1.6 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 119.275 0.943 . . . . 150.0 112.806 -171.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.97 39.63 2.69 Favored Glycine 0 N--CA 1.474 1.2 0 CA-C-O 117.829 -1.539 . . . . 107.72 112.992 -158.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 52' ' ' ALA . 7.5 p -124.87 149.08 47.89 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 116.404 -1.76 . . . . 101.3 110.575 -162.244 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.36 164.92 54.48 Favored Glycine 0 C--O 1.292 3.776 0 O-C-N 127.184 2.803 . . . . 74.42 113.374 162.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.0 m 56.08 55.09 7.16 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.354 1.461 . . . . 67.18 107.848 166.354 -66.244 87.038 119.45 102.165 2.059 104.914 77.308 -62.577 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . 0.267 41.8 mtpt -105.2 158.76 16.37 Favored 'General case' 0 C--O 1.276 2.482 0 C-N-CA 125.671 1.588 . . . . 85.41 114.632 176.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.21 10.76 57.63 Favored Glycine 0 N--CA 1.479 1.532 0 CA-C-O 117.037 -1.979 . . . . 55.13 115.845 173.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -130.78 159.86 36.07 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 121.39 2.595 . . . . 73.3 110.67 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.8 m -73.82 123.65 24.58 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.067 0.947 . . . . 87.69 111.029 -175.305 -88.088 0.0 0.0 0.0 0.0 0.0 0.0 -88.088 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TYR . . . . . 0.494 ' OH ' ' O ' ' A' ' 86' ' ' ALA . 73.0 m-85 -106.46 125.35 33.08 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.749 -1.204 . . . . 56.38 107.749 163.23 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -51.89 139.13 51.04 Favored 'Trans proline' 0 C--O 1.26 1.583 0 CA-C-O 124.954 1.981 . . . . 49.34 115.723 166.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . 0.256 3.0 pp -120.75 149.54 42.38 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 116.918 -1.913 . . . . 60.08 106.927 173.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.9 p -137.99 134.25 34.62 Favored 'General case' 0 C--O 1.278 2.603 0 C-N-CA 125.798 1.639 . . . . 66.14 107.665 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.26 -147.5 5.93 Favored Glycine 0 N--CA 1.474 1.172 0 C-N-CA 119.77 -1.205 . . . . 45.31 110.364 166.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.16 154.91 44.37 Favored 'General case' 0 C--O 1.284 2.894 0 O-C-N 125.982 1.636 . . . . 43.35 108.896 -172.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' TYR . . . . . 0.792 ' OH ' ' O ' ' A' ' 201' ' ' HOH . 72.1 t80 -139.72 139.82 36.63 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.231 -0.44 . . . . 57.27 111.098 -179.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -112.55 111.38 22.15 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 107.029 -1.471 . . . . 58.26 107.029 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.1 p -82.07 -8.36 59.66 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 117.083 -1.437 . . . . 62.46 110.434 -170.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.16 -46.83 93.16 Favored Glycine 0 C--O 1.277 2.806 0 CA-C-O 117.641 -1.644 . . . . 61.6 109.392 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . 0.637 ' O ' ' O ' ' A' ' 203' ' ' HOH . 23.3 p30 -130.99 20.52 4.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 126.262 1.801 . . . . 72.92 111.175 174.613 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 65.06 52.9 1.44 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 106.741 -1.577 . . . . 71.19 106.741 160.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.0 mt -112.49 150.14 14.8 Favored 'Isoleucine or valine' 0 C--O 1.3 3.755 0 CA-C-N 114.444 -1.253 . . . . 59.34 110.75 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.7 tt -144.13 157.52 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 108.99 -0.744 . . . . 49.52 108.99 -171.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 t -151.47 119.59 6.29 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 104.667 -2.346 . . . . 50.5 104.667 169.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -134.59 166.31 23.19 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 125.183 1.552 . . . . 51.58 108.75 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.4 m -136.44 147.91 47.47 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 126.093 2.121 . . . . 50.84 111.46 -174.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -129.24 127.07 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 106.011 -1.848 . . . . 50.43 106.011 173.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.5 t -89.1 121.01 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 105.579 -2.008 . . . . 55.21 105.579 162.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -81.31 64.33 6.0 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-O 116.528 -1.701 . . . . 59.45 107.988 -174.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 t -140.78 117.34 10.86 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.702 1.601 . . . . 56.67 109.971 169.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -143.73 -174.6 4.29 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-O 115.45 -2.214 . . . . 55.7 106.631 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.29 -9.67 54.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 125.196 1.56 . . . . 57.81 111.413 -170.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 m -102.87 -38.58 7.34 Favored 'General case' 0 N--CA 1.5 2.057 0 C-N-CA 126.076 1.75 . . . . 69.51 111.217 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . 0.494 ' O ' ' OH ' ' A' ' 62' ' ' TYR . . . -168.92 130.11 1.19 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.459 1.481 . . . . 67.98 113.562 -169.932 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -109.92 111.75 23.35 Favored 'General case' 0 C--O 1.259 1.593 0 C-N-CA 129.688 3.195 . . . . 71.89 109.278 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 71.0 m -103.86 10.63 36.34 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 118.068 -0.968 . . . . 68.77 109.239 176.457 -62.577 77.308 119.45 104.914 2.059 102.165 87.038 -66.244 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 34.6 64.98 0.37 Allowed 'General case' 0 N--CA 1.509 2.485 0 C-N-CA 128.408 2.683 . . . . 72.56 110.885 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 p -164.71 167.47 18.99 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 116.674 -1.632 . . . . 73.76 107.174 -171.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.84 132.22 34.32 Favored 'General case' 1 C--O 1.305 4.009 0 O-C-N 127.582 3.052 . . . . 55.64 110.624 -176.07 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.1 m -104.5 135.25 46.28 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 117.406 -1.283 . . . . 63.98 110.957 165.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -111.63 129.49 9.17 Favored Glycine 0 C--O 1.247 0.949 0 O-C-N 125.601 1.813 . . . . 54.03 112.38 162.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -111.69 136.34 51.05 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 114.671 -2.585 . . . . 65.99 105.983 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.5 m -131.53 129.65 41.31 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 126.202 2.189 . . . . 55.16 111.042 173.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.6 -163.04 25.77 Favored Glycine 0 N--CA 1.482 1.71 0 CA-C-N 122.399 2.363 . . . . 54.38 116.225 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -144.2 158.97 43.42 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 122.891 1.329 . . . . 83.21 110.287 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -113.5 144.63 42.52 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.464 1.906 . . . . 67.51 108.878 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -124.28 105.22 9.3 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 105.65 -1.981 . . . . 80.4 105.65 169.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -87.56 6.22 35.44 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 116.039 -1.934 . . . . 83.91 113.156 172.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.2 m -67.35 148.2 51.95 Favored 'General case' 0 C--O 1.278 2.58 0 CA-C-N 122.042 2.201 . . . . 77.54 110.441 178.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.59 -158.3 32.23 Favored Glycine 0 C--O 1.275 2.659 0 C-N-CA 123.799 0.714 . . . . 57.43 114.059 172.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.9 p -75.64 -17.23 60.06 Favored 'General case' 0 C--O 1.28 2.702 0 CA-C-O 116.819 -1.562 . . . . 56.33 110.091 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -134.19 143.18 47.72 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 124.502 1.126 . . . . 70.24 109.576 -171.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.72 121.28 43.7 Favored 'General case' 0 C--O 1.204 -1.332 0 C-N-CA 126.32 1.848 . . . . 57.1 108.505 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.5 t -126.42 146.42 32.28 Favored 'Isoleucine or valine' 0 C--O 1.28 2.702 0 N-CA-C 108.151 -1.055 . . . . 68.56 108.151 -173.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.8 tp -121.48 107.92 13.02 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 103.119 -2.919 . . . . 68.31 103.119 -177.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -92.06 124.12 35.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 104.333 -2.469 . . . . 99.51 104.333 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.76 145.58 49.95 Favored 'General case' 0 C--O 1.184 -2.38 0 CA-C-O 116.416 -1.754 . . . . 69.68 109.889 -177.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -104.75 158.5 16.47 Favored 'General case' 0 C--O 1.27 2.142 0 C-N-CA 128.697 2.799 . . . . 74.93 110.354 154.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 39.3 p-90 -159.26 155.33 26.78 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 117.046 -1.454 . . . . 72.14 110.69 -173.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -130.22 144.59 51.45 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 131.108 3.763 . . . . 70.85 108.391 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . 0.438 ' CD2' ' C ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -143.11 109.0 5.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 117.614 -1.184 . . . . 94.59 110.091 -170.091 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.39 108.66 20.28 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 127.305 2.242 . . . . 79.01 108.612 -173.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -140.31 -168.81 2.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 125.517 1.761 . . . . 106.86 109.688 -174.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -128.5 171.59 11.95 Favored 'General case' 0 C--O 1.253 1.284 0 O-C-N 124.814 1.322 . . . . 120.12 111.759 -172.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.0 m -125.39 -90.03 0.56 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.806 2.042 . . . . 120.85 106.923 153.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -89.33 -110.43 1.24 Allowed Glycine 0 C--O 1.259 1.689 0 CA-C-O 118.213 -1.326 . . . . 93.54 110.328 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.6 t -97.32 44.92 1.04 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 128.493 2.717 . . . . 110.09 108.61 163.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 26.6 p -137.6 73.47 48.23 Favored Pre-proline 0 N--CA 1.487 1.387 0 C-N-CA 124.687 1.195 . . . . 100.9 108.922 -161.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.17 147.28 1.49 Allowed 'Trans proline' 0 C--O 1.198 -1.512 0 C-N-CA 122.19 1.927 . . . . 101.5 114.061 171.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.26 173.13 12.22 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.918 1.287 . . . . 88.83 110.493 -175.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 46.4 mt -161.21 89.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 107.356 -1.35 . . . . 95.82 107.356 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -74.72 153.57 38.79 Favored 'General case' 0 C--O 1.296 3.511 0 O-C-N 125.89 1.994 . . . . 126.64 108.277 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -108.94 166.27 10.95 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 127.638 3.086 . . . . 126.29 107.173 -176.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -175.88 -172.61 40.82 Favored Glycine 0 N--CA 1.479 1.545 0 CA-C-N 121.026 1.739 . . . . 87.01 113.084 173.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -147.3 114.52 6.24 Favored 'General case' 0 C--O 1.243 0.748 0 O-C-N 124.602 0.825 . . . . 118.72 109.972 174.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -103.73 140.16 37.98 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.646 -0.872 . . . . 77.54 108.646 168.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -121.42 128.55 52.29 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 104.972 -2.233 . . . . 94.86 104.972 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -114.65 151.59 33.3 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 120.179 1.354 . . . . 62.0 109.675 -174.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 43.7 ttm -123.64 138.92 54.45 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.488 1.118 . . . . 89.08 110.018 170.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -67.48 133.8 50.17 Favored 'General case' 0 C--O 1.279 2.639 0 O-C-N 124.801 1.313 . . . . 81.55 107.467 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.1 t -136.61 111.21 8.63 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 117.72 -1.133 . . . . 65.08 108.647 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.6 t -71.01 132.73 32.96 Favored 'Isoleucine or valine' 0 C--O 1.255 1.372 0 O-C-N 127.402 2.939 . . . . 63.85 107.043 -176.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -23.99 121.73 0.05 OUTLIER 'General case' 0 C--O 1.28 2.674 0 O-C-N 125.643 1.839 . . . . 63.92 110.399 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 77.9 p -68.59 136.91 53.78 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 125.822 1.951 . . . . 66.43 106.958 163.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.7 t -110.59 141.57 25.53 Favored 'Isoleucine or valine' 0 C--O 1.264 1.843 0 O-C-N 124.779 1.3 . . . . 77.95 108.271 -175.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 18.8 m -136.05 146.55 47.21 Favored 'General case' 0 C--O 1.268 2.065 0 O-C-N 124.734 1.271 . . . . 87.88 109.327 177.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -48.99 -38.35 22.97 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 125.865 1.978 . . . . 127.56 107.278 169.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -167.81 172.18 9.34 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.885 0.874 . . . . 83.44 112.355 -174.469 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.79 -18.04 63.69 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.809 1.244 . . . . 71.89 111.915 174.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 30.8 mt -100.72 -39.14 7.99 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-N 119.475 1.034 . . . . 114.64 112.197 -173.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.7 p -75.46 135.0 40.72 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.187 1.395 . . . . 102.78 108.237 174.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.496 1.861 0 C-N-CA 124.648 1.179 . . . . 104.78 109.714 170.887 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' B' ' 204' ' ' HOH . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 108.135 -1.061 . . . . 104.83 108.135 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -110.11 134.89 51.71 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 126.407 2.317 . . . . 113.71 111.587 -162.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' B' ' 14' ' ' LEU . 0.0 OUTLIER -130.13 25.76 5.21 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 128.886 2.874 . . . . 131.59 105.502 174.647 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.24 175.78 0.21 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.299 1.84 . . . . 138.54 108.899 -169.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 58.25 -152.86 28.4 Favored Glycine 0 C--O 1.266 2.144 0 CA-C-O 118.557 -1.135 . . . . 118.69 110.702 -157.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.85 131.19 35.2 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-N 118.18 0.99 . . . . 88.23 110.03 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.1 p -122.38 146.26 47.5 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 126.983 2.113 . . . . 70.59 110.956 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -118.04 119.56 35.13 Favored 'General case' 0 C--O 1.256 1.399 0 C-N-CA 125.14 1.376 . . . . 66.5 109.692 -170.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -131.57 124.85 30.87 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 116.883 -1.532 . . . . 65.87 108.611 -168.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 t -121.14 126.49 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 125.705 1.878 . . . . 58.2 110.219 -167.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -100.88 -175.76 2.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 119.384 -0.926 . . . . 61.49 109.532 -175.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pm0 -66.93 -16.45 64.34 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 125.948 2.03 . . . . 78.46 112.485 -170.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.2 m -99.95 8.88 43.74 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 120.126 1.33 . . . . 70.72 111.445 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.92 -7.99 79.45 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-O 116.719 -2.156 . . . . 65.55 112.053 -170.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 29.4 m -67.22 138.98 57.35 Favored 'General case' 0 C--O 1.28 2.7 0 CA-C-N 120.015 1.907 . . . . 56.59 109.867 -168.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.0 t -115.37 121.51 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 119.082 -0.485 . . . . 65.32 110.621 -175.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.24 121.72 41.91 Favored 'General case' 0 C--O 1.275 2.429 0 C-N-CA 125.016 1.326 . . . . 59.43 110.67 163.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -104.5 120.06 40.41 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.14 -1.059 . . . . 61.29 108.14 166.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -106.16 142.24 36.18 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-O 123.17 1.462 . . . . 58.03 110.498 -176.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 80.4 t -126.3 136.53 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 103.259 -2.867 . . . . 71.93 103.259 173.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -124.31 127.31 47.44 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 125.608 1.563 . . . . 55.36 109.608 -172.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . 0.263 14.2 p -131.28 125.14 20.74 Favored Pre-proline 0 C--N 1.313 -0.989 0 N-CA-C 105.0 -2.222 . . . . 68.79 105.0 177.731 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -49.5 138.0 31.81 Favored 'Trans proline' 0 C--O 1.198 -1.505 0 C-N-CA 120.981 1.121 . . . . 63.71 113.774 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 39.2 t -82.63 135.81 45.85 Favored Pre-proline 0 N--CA 1.482 1.127 0 N-CA-C 106.121 -1.807 . . . . 68.46 106.121 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -67.95 -29.02 34.97 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 N-CA-C 115.759 1.407 . . . . 89.38 115.759 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 70.6 p -107.41 -24.11 11.95 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 116.318 -1.801 . . . . 68.25 110.72 -169.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -112.34 103.18 55.25 Favored Pre-proline 0 N--CA 1.499 1.978 0 C-N-CA 124.898 1.279 . . . . 61.92 110.827 -163.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -66.78 146.49 78.61 Favored 'Trans proline' 0 CA--C 1.558 1.722 0 O-C-N 117.589 -1.848 . . . . 57.31 115.444 -172.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 47.02 35.63 3.51 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 126.036 1.734 . . . . 81.86 112.697 -167.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 37.1 m -121.23 133.19 55.15 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 125.126 1.37 . . . . 53.22 109.132 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -119.9 137.05 54.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.97 1.708 . . . . 72.03 106.422 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.07 124.36 23.56 Favored 'General case' 0 C--O 1.253 1.275 0 N-CA-C 105.757 -1.942 . . . . 88.52 105.757 159.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.89 131.26 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 O-C-N 126.33 2.269 . . . . 60.4 107.154 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 86.2 p -136.8 -173.65 3.5 Favored 'General case' 0 C--O 1.198 -1.656 0 N-CA-C 107.013 -1.477 . . . . 55.19 107.013 166.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 128.95 -152.07 19.28 Favored Glycine 0 C--O 1.277 2.8 0 N-CA-C 110.935 -0.866 . . . . 54.2 110.935 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -138.24 148.85 45.18 Favored 'General case' 0 C--O 1.284 2.91 0 O-C-N 125.296 1.233 . . . . 75.63 108.498 -169.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -126.85 128.46 46.55 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 125.993 2.058 . . . . 60.31 110.844 174.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.26 117.7 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 106.67 -1.604 . . . . 68.87 106.67 175.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -84.99 130.06 34.69 Favored 'General case' 0 C--O 1.266 1.963 0 N-CA-C 105.826 -1.916 . . . . 52.56 105.826 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASN . . . . . 0.709 ' ND2' ' O ' ' B' ' 202' ' ' HOH . 37.0 m-20 -135.69 29.53 3.2 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 118.326 0.512 . . . . 76.5 109.811 172.327 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.48 131.23 34.68 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 108.697 -0.853 . . . . 55.77 108.697 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -57.38 -48.42 79.12 Favored 'General case' 0 C--O 1.27 2.149 0 CA-C-O 117.26 -1.353 . . . . 67.87 112.663 -163.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.37 -17.49 61.92 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 116.272 1.269 . . . . 70.92 116.272 -173.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.7 p -105.32 167.47 9.72 Favored 'General case' 0 C--O 1.185 -2.29 0 O-C-N 121.396 -1.061 . . . . 66.16 111.982 -152.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.01 -174.36 40.91 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-O 116.721 -2.155 . . . . 50.05 109.375 164.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 95.7 m 60.75 47.89 7.57 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.823 1.649 . . . . 53.29 107.679 174.092 -66.034 85.48 112.772 109.573 2.236 101.957 91.899 -65.956 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -108.11 143.26 37.11 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 125.74 1.9 . . . . 54.78 107.825 -171.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.55 10.44 85.25 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 115.102 -3.055 . . . . 54.03 117.318 170.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 8.7 p -141.68 159.48 42.13 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 122.298 3.049 . . . . 66.36 110.374 -178.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 17.8 m -71.7 118.02 14.01 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 127.553 2.341 . . . . 139.33 110.402 -172.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -113.09 120.41 40.43 Favored Pre-proline 0 C--N 1.319 -0.721 0 C-N-CA 124.675 1.19 . . . . 51.02 108.353 164.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -52.14 134.65 50.69 Favored 'Trans proline' 0 C--O 1.268 2.022 0 C-N-CA 121.204 1.269 . . . . 50.89 113.936 169.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 pp -112.84 149.89 32.46 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.15 -0.932 . . . . 62.26 108.736 172.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.21 132.21 41.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.168 1.787 . . . . 65.76 106.574 -178.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.54 -145.13 5.5 Favored Glycine 0 N--CA 1.463 0.44 0 C-N-CA 118.3 -1.905 . . . . 54.48 113.479 160.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.69 141.13 26.49 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 109.254 -0.647 . . . . 60.98 109.254 -172.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -123.45 128.29 49.61 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 126.205 2.19 . . . . 64.6 108.616 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' TYR . . . . . 0.418 ' CE2' ' CA ' ' B' ' 71' ' ' GLY . 69.2 t80 -105.54 109.11 20.96 Favored 'General case' 0 C--O 1.256 1.417 0 N-CA-C 107.106 -1.442 . . . . 85.6 107.106 176.049 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' SER . . . . . 0.434 ' O ' ' C ' ' B' ' 71' ' ' GLY . 28.6 t -65.94 -46.87 76.62 Favored 'General case' 0 C--O 1.25 1.082 0 O-C-N 127.199 2.812 . . . . 88.98 109.073 -171.431 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' B' ' 70' ' ' SER . . . -32.18 -60.04 0.36 Allowed Glycine 0 N--CA 1.465 0.579 0 O-C-N 125.524 1.765 . . . . 79.62 110.542 -173.912 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -120.42 24.25 10.45 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 118.536 1.168 . . . . 86.07 108.685 -174.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 53.79 51.82 14.2 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.909 1.683 . . . . 87.97 109.91 171.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 mt -102.22 155.89 4.88 Favored 'Isoleucine or valine' 0 C--O 1.261 1.671 0 O-C-N 124.881 1.363 . . . . 85.86 109.117 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 5.6 tt -151.53 159.2 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 124.719 1.262 . . . . 63.74 110.29 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 47.8 t -158.89 126.88 5.09 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 126.085 2.116 . . . . 49.64 107.105 174.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -150.69 160.42 43.85 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 125.043 1.464 . . . . 59.03 112.609 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.5 m -131.24 150.01 52.33 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 113.793 -1.549 . . . . 53.34 111.133 -167.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 t -136.92 124.59 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 103.153 -2.906 . . . . 48.12 103.153 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.5 t -92.75 120.58 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-O 116.612 -1.661 . . . . 52.12 107.004 164.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -78.91 61.62 3.17 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 126.419 2.324 . . . . 48.0 105.811 -168.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 11.7 t -145.07 119.99 9.97 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 113.049 -1.887 . . . . 47.41 110.918 173.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -150.3 -175.42 5.07 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 105.687 -1.968 . . . . 50.16 105.687 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' B' ' 208' ' ' HOH . . . -70.08 -18.48 63.27 Favored 'General case' 0 C--O 1.258 1.546 0 C-N-CA 123.786 0.834 . . . . 52.47 111.107 -172.902 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 13.2 p -92.57 -35.8 13.37 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 119.04 0.836 . . . . 59.37 110.129 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.51 147.53 7.53 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 119.851 1.205 . . . . 54.48 112.368 -168.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -129.93 127.12 39.46 Favored 'General case' 0 C--O 1.264 1.837 0 O-C-N 126.082 2.114 . . . . 55.83 108.523 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 96.4 m -119.02 7.13 11.34 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.946 1.404 . . . . 58.07 109.469 179.241 -65.956 91.899 112.772 101.957 2.236 109.573 85.48 -66.034 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 55.07 44.52 27.89 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.352 1.861 . . . . 66.75 108.59 164.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 p -156.94 170.86 21.54 Favored 'General case' 0 C--O 1.253 1.251 0 N-CA-C 107.213 -1.403 . . . . 58.82 107.213 -174.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.9 138.27 35.52 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.695 1.872 . . . . 54.66 109.359 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -116.3 139.74 50.07 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 115.722 -2.085 . . . . 52.62 110.386 171.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.43 127.56 7.43 Favored Glycine 0 CA--C 1.546 1.99 0 O-C-N 127.391 2.932 . . . . 66.17 115.977 163.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 20.1 m-90 -108.9 132.46 54.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 130.583 3.553 . . . . 66.61 105.851 -176.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -142.35 124.33 15.29 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 113.756 -3.021 . . . . 69.87 105.933 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.61 -163.87 30.6 Favored Glycine 0 N--CA 1.482 1.742 0 O-C-N 126.313 2.258 . . . . 65.93 113.145 -176.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -136.4 156.6 48.4 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 124.101 1.905 . . . . 92.98 113.758 -168.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -99.42 164.93 11.9 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 120.137 -1.602 . . . . 87.18 109.721 176.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -158.13 92.21 1.16 Allowed 'General case' 0 C--O 1.285 2.971 0 C-N-CA 129.743 3.217 . . . . 82.01 106.55 -178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -84.5 -4.49 58.98 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 124.634 1.174 . . . . 78.42 111.699 -173.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 84.3 p -61.15 144.17 54.13 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 125.405 1.691 . . . . 88.52 108.292 -170.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.01 -158.97 32.3 Favored Glycine 0 N--CA 1.469 0.872 0 O-C-N 124.216 0.947 . . . . 59.85 112.784 167.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 54.5 p -81.37 -15.27 55.76 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 116.443 -1.741 . . . . 66.3 108.591 -173.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -136.97 150.46 48.17 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 107.548 -1.279 . . . . 90.82 107.548 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.96 130.11 53.96 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 126.394 2.309 . . . . 63.82 107.529 -179.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 90.0 t -129.46 137.7 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-N 119.555 1.07 . . . . 66.97 111.51 -173.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 7.7 tp -112.45 130.13 56.09 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.971 -1.122 . . . . 64.87 107.971 170.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -114.69 132.96 56.23 Favored 'General case' 0 C--O 1.27 2.176 0 O-C-N 124.957 1.411 . . . . 95.24 108.891 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 31.0 p -140.56 150.24 43.42 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 124.338 1.024 . . . . 66.38 112.588 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.4 129.05 48.77 Favored 'General case' 0 C--O 1.264 1.833 0 O-C-N 128.044 3.34 . . . . 94.16 106.189 168.977 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -123.49 153.82 40.0 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.564 -0.854 . . . . 82.01 110.647 -177.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -128.03 149.37 50.4 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 116.18 -1.867 . . . . 81.89 107.699 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 tp -141.69 116.07 9.52 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.48 1.036 . . . . 67.92 112.447 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -88.19 127.84 35.44 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 125.441 1.497 . . . . 63.27 107.728 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -156.57 172.49 18.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 125.061 1.476 . . . . 78.05 111.144 179.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -118.0 144.09 45.84 Favored 'General case' 0 C--O 1.261 1.702 0 C-N-CA 125.022 1.329 . . . . 88.82 110.321 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 66.2 m -101.18 -65.52 0.97 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 126.725 2.01 . . . . 86.47 109.449 171.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' GLY . . . . . 0.88 ' N ' ' OG1' ' B' ' 120' ' ' THR . . . -102.12 -139.6 10.65 Favored Glycine 0 N--CA 1.483 1.79 0 CA-C-O 116.584 -2.231 . . . . 103.18 109.272 169.0 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 28.3 t -71.98 30.0 0.05 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 119.859 1.829 . . . . 124.83 108.176 156.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' THR . . . . . 0.88 ' OG1' ' N ' ' B' ' 118' ' ' GLY . 16.8 p -113.89 84.37 8.56 Favored Pre-proline 0 N--CA 1.478 0.959 0 C-N-CA 128.21 2.604 . . . . 92.43 109.76 -160.622 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.63 154.69 70.97 Favored 'Trans proline' 0 C--O 1.18 -2.376 0 C-N-CA 121.286 1.324 . . . . 90.57 111.367 -175.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.56 148.73 12.76 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 124.97 1.308 . . . . 72.4 112.265 -167.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mt -126.5 98.24 4.69 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.15 0 CA-C-O 115.868 -2.015 . . . . 79.2 105.855 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' B' ' 125' ' ' GLN . 6.7 tp-100 -65.93 -176.08 0.36 Allowed 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 116.239 -1.838 . . . . 92.6 107.172 170.353 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' B' ' 124' ' ' GLN . 0.0 OUTLIER -162.55 173.2 14.3 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 117.544 -1.217 . . . . 99.27 109.349 173.02 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.53 -166.69 39.46 Favored Glycine 0 N--CA 1.477 1.402 0 CA-C-O 117.613 -1.659 . . . . 63.63 112.961 -174.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -145.39 134.85 23.17 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 125.717 1.607 . . . . 87.37 110.971 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -128.87 146.04 51.05 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 117.096 -1.43 . . . . 76.01 107.633 177.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.64 115.95 22.99 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 128.025 3.328 . . . . 75.18 110.718 177.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -105.69 142.75 34.88 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 116.083 -1.913 . . . . 69.0 106.548 -175.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 25.9 ttm -117.22 140.13 49.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 126.318 2.261 . . . . 70.41 110.536 169.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -62.63 137.87 58.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.789 0.436 . . . . 74.58 110.971 172.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 2.6 m -141.74 116.91 10.04 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 107.576 -1.268 . . . . 85.7 107.576 172.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 71.6 t -78.06 139.15 19.02 Favored 'Isoleucine or valine' 0 C--O 1.272 2.28 0 N-CA-C 106.603 -1.629 . . . . 61.51 106.603 -176.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -29.17 118.06 0.12 Allowed 'General case' 0 C--O 1.28 2.679 0 O-C-N 126.313 2.258 . . . . 67.02 110.586 172.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' THR . . . . . . . . . . . . . 67.0 p -64.15 148.64 49.5 Favored 'General case' 0 C--O 1.274 2.377 0 N-CA-C 105.959 -1.867 . . . . 64.27 105.959 162.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 52.4 t -117.84 137.31 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 124.737 1.273 . . . . 62.39 108.77 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 72.3 m -125.32 146.9 49.36 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 125.362 1.664 . . . . 69.21 109.878 -178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -51.21 -47.23 62.35 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 106.373 -1.714 . . . . 99.39 106.373 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 20.3 p -152.74 178.32 9.76 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.001 -1.111 . . . . 63.36 108.001 -175.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.4 tp -64.34 -41.78 96.6 Favored 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 106.603 -1.629 . . . . 61.0 106.603 171.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.88 -36.58 80.5 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 116.522 -1.704 . . . . 69.43 111.564 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 66.8 p -149.86 135.72 18.61 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.652 1.114 . . . . 76.07 113.397 -167.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 N--CA 1.496 1.871 1 C-N-CA 132.239 4.215 . . . . 104.28 108.217 161.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.792 ' O ' ' OH ' ' A' ' 68' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.88 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . 0.637 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 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 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.709 ' O ' ' ND2' ' B' ' 51' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . 0.589 ' O ' ' N ' ' B' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . 0.415 ' O ' ' N ' ' B' ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 108.171 -1.048 . . . . 102.18 108.171 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . 1.1 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.1 pp -126.7 127.65 45.46 Favored 'General case' 0 C--O 1.262 1.756 0 C-N-CA 125.909 1.684 . . . . 112.34 107.654 -159.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.08 44.29 2.99 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 125.649 1.843 . . . . 113.87 108.28 170.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.89 132.73 45.68 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.205 0.911 . . . . 109.23 108.732 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.38 -175.14 47.55 Favored Glycine 0 C--O 1.273 2.579 0 C-N-CA 124.882 1.229 . . . . 80.05 112.047 -157.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.47 134.89 33.65 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.313 -0.625 . . . . 76.34 109.313 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.6 p -122.91 153.34 39.81 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.203 0.601 . . . . 61.15 111.295 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -116.14 124.56 50.65 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-O 118.597 -0.716 . . . . 75.81 110.168 -172.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -127.12 123.07 35.94 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 115.943 -1.98 . . . . 62.12 109.23 -171.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 t -117.73 128.23 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.304 0 O-C-N 125.583 1.802 . . . . 61.52 109.374 -170.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 202' ' ' HOH . 30.5 p30 -92.54 175.71 6.73 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 124.514 1.134 . . . . 52.33 108.335 -175.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -54.53 -40.01 68.23 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 125.977 1.711 . . . . 83.98 109.852 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -87.75 7.3 30.92 Favored 'General case' 0 C--O 1.271 2.206 0 CA-C-N 118.639 0.654 . . . . 70.94 111.225 -177.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.56 -13.17 64.73 Favored Glycine 0 N--CA 1.477 1.378 0 CA-C-O 115.9 -2.611 . . . . 65.85 114.71 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -55.5 150.4 12.01 Favored 'General case' 0 C--O 1.266 1.97 0 CA-C-N 120.717 2.259 . . . . 69.19 110.818 173.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 t -125.0 124.94 68.71 Favored 'Isoleucine or valine' 0 C--O 1.279 2.619 0 O-C-N 124.334 1.021 . . . . 84.43 108.893 -166.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.68 119.22 38.48 Favored 'General case' 0 C--O 1.276 2.456 0 O-C-N 125.876 1.985 . . . . 58.32 108.102 170.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -107.68 118.06 35.75 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 125.023 1.452 . . . . 71.59 107.669 170.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -104.66 138.33 41.14 Favored 'General case' 0 C--O 1.273 2.305 0 CA-C-O 122.065 0.936 . . . . 51.77 111.033 -169.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.55 138.47 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.585 -1.322 . . . . 68.14 108.247 163.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -117.33 128.22 54.83 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.523 1.139 . . . . 51.37 110.045 -173.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 m -126.37 136.12 28.17 Favored Pre-proline 0 N--CA 1.474 0.762 0 N-CA-C 107.885 -1.154 . . . . 61.6 107.885 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -66.78 138.48 49.01 Favored 'Trans proline' 0 C--O 1.192 -1.779 0 N-CA-C 104.604 -2.883 . . . . 65.61 104.604 -172.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -63.98 136.86 96.92 Favored Pre-proline 0 N--CA 1.478 0.948 0 N-CA-C 107.074 -1.454 . . . . 62.18 107.074 165.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -67.76 -11.58 32.59 Favored 'Trans proline' 0 C--O 1.17 -2.894 0 CA-C-O 115.033 -2.153 . . . . 66.72 115.828 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.9 p -137.93 -20.45 1.13 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 115.811 -2.042 . . . . 56.9 111.397 -162.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -105.73 108.54 61.76 Favored Pre-proline 0 N--CA 1.476 0.865 0 CA-C-N 119.944 1.247 . . . . 50.71 108.427 -169.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.74 128.46 24.18 Favored 'Trans proline' 0 C--O 1.268 2.02 0 C-N-CA 121.196 1.264 . . . . 51.82 111.141 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 57.9 31.98 21.31 Favored 'General case' 0 C--O 1.275 2.43 0 O-C-N 125.557 1.786 . . . . 68.04 110.984 171.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.5 m -116.18 137.9 51.74 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 117.411 -1.28 . . . . 50.27 108.421 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -122.37 136.33 54.88 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 125.814 1.946 . . . . 58.73 109.1 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.97 132.17 46.26 Favored 'General case' 0 C--O 1.26 1.65 0 O-C-N 126.913 2.633 . . . . 82.23 106.403 165.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.3 t -103.08 126.04 57.43 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 O-C-N 125.659 1.85 . . . . 55.13 106.03 -176.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.2 p -126.11 -175.94 3.5 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 108.321 -0.992 . . . . 50.14 108.321 166.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.82 -152.97 19.8 Favored Glycine 0 C--O 1.218 -0.903 0 N-CA-C 108.393 -1.883 . . . . 47.19 108.393 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -146.03 143.01 29.16 Favored 'General case' 1 C--O 1.31 4.277 0 O-C-N 125.662 1.448 . . . . 70.22 107.752 -164.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -119.75 129.63 54.58 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 126.715 2.509 . . . . 73.78 108.657 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.8 106.48 17.65 Favored 'Isoleucine or valine' 0 C--O 1.291 3.275 0 N-CA-C 104.672 -2.344 . . . . 69.27 104.672 174.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -72.91 115.23 11.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 128.834 3.834 . . . . 72.25 110.862 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -128.48 33.45 4.68 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 117.21 -1.376 . . . . 79.38 110.839 -170.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' O ' ' OG1' ' A' ' 55' ' ' THR . . . -92.27 141.67 28.3 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 116.693 -1.622 . . . . 97.77 109.6 -176.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -48.15 -62.19 1.6 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 119.275 0.943 . . . . 150.0 112.806 -171.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.97 39.63 2.69 Favored Glycine 0 N--CA 1.474 1.2 0 CA-C-O 117.829 -1.539 . . . . 107.72 112.992 -158.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 52' ' ' ALA . 7.5 p -124.87 149.08 47.89 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 116.404 -1.76 . . . . 101.3 110.575 -162.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.36 164.92 54.48 Favored Glycine 0 C--O 1.292 3.776 0 O-C-N 127.184 2.803 . . . . 74.42 113.374 162.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.0 m 56.08 55.09 7.16 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.354 1.461 . . . . 67.18 107.848 166.354 -66.244 87.038 119.45 102.165 2.059 104.914 77.308 -62.577 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . 0.267 41.8 mtpt -105.2 158.76 16.37 Favored 'General case' 0 C--O 1.276 2.482 0 C-N-CA 125.671 1.588 . . . . 85.41 114.632 176.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.21 10.76 57.63 Favored Glycine 0 N--CA 1.479 1.532 0 CA-C-O 117.037 -1.979 . . . . 55.13 115.845 173.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -130.78 159.86 36.07 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 121.39 2.595 . . . . 73.3 110.67 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.8 m -73.82 123.65 24.58 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.067 0.947 . . . . 87.69 111.029 -175.305 -88.088 0.0 0.0 0.0 0.0 0.0 0.0 -88.088 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -106.46 125.35 33.08 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.749 -1.204 . . . . 56.38 107.749 163.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -51.89 139.13 51.04 Favored 'Trans proline' 0 C--O 1.26 1.583 0 CA-C-O 124.954 1.981 . . . . 49.34 115.723 166.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . 0.522 HD12 ' C ' ' A' ' 64' ' ' LEU 0.256 3.0 pp -120.75 149.54 42.38 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 116.918 -1.913 . . . . 60.08 106.927 173.343 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.9 p -137.99 134.25 34.62 Favored 'General case' 0 C--O 1.278 2.603 0 C-N-CA 125.798 1.639 . . . . 66.14 107.665 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.26 -147.5 5.93 Favored Glycine 0 N--CA 1.474 1.172 0 C-N-CA 119.77 -1.205 . . . . 45.31 110.364 166.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.16 154.91 44.37 Favored 'General case' 0 C--O 1.284 2.894 0 O-C-N 125.982 1.636 . . . . 43.35 108.896 -172.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -139.72 139.82 36.63 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.231 -0.44 . . . . 57.27 111.098 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -112.55 111.38 22.15 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 107.029 -1.471 . . . . 58.26 107.029 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.1 p -82.07 -8.36 59.66 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 117.083 -1.437 . . . . 62.46 110.434 -170.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.16 -46.83 93.16 Favored Glycine 0 C--O 1.277 2.806 0 CA-C-O 117.641 -1.644 . . . . 61.6 109.392 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . 0.637 ' O ' ' O ' ' A' ' 203' ' ' HOH . 23.3 p30 -130.99 20.52 4.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 126.262 1.801 . . . . 72.92 111.175 174.613 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 65.06 52.9 1.44 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 106.741 -1.577 . . . . 71.19 106.741 160.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.0 mt -112.49 150.14 14.8 Favored 'Isoleucine or valine' 0 C--O 1.3 3.755 0 CA-C-N 114.444 -1.253 . . . . 59.34 110.75 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.7 tt -144.13 157.52 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 108.99 -0.744 . . . . 49.52 108.99 -171.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 t -151.47 119.59 6.29 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 104.667 -2.346 . . . . 50.5 104.667 169.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -134.59 166.31 23.19 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 125.183 1.552 . . . . 51.58 108.75 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.4 m -136.44 147.91 47.47 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 126.093 2.121 . . . . 50.84 111.46 -174.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -129.24 127.07 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 106.011 -1.848 . . . . 50.43 106.011 173.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.5 t -89.1 121.01 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 105.579 -2.008 . . . . 55.21 105.579 162.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -81.31 64.33 6.0 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-O 116.528 -1.701 . . . . 59.45 107.988 -174.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 t -140.78 117.34 10.86 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.702 1.601 . . . . 56.67 109.971 169.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -143.73 -174.6 4.29 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-O 115.45 -2.214 . . . . 55.7 106.631 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.29 -9.67 54.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 125.196 1.56 . . . . 57.81 111.413 -170.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 m -102.87 -38.58 7.34 Favored 'General case' 0 N--CA 1.5 2.057 0 C-N-CA 126.076 1.75 . . . . 69.51 111.217 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -168.92 130.11 1.19 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.459 1.481 . . . . 67.98 113.562 -169.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -109.92 111.75 23.35 Favored 'General case' 0 C--O 1.259 1.593 0 C-N-CA 129.688 3.195 . . . . 71.89 109.278 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 71.0 m -103.86 10.63 36.34 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 118.068 -0.968 . . . . 68.77 109.239 176.457 -62.577 77.308 119.45 104.914 2.059 102.165 87.038 -66.244 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 34.6 64.98 0.37 Allowed 'General case' 0 N--CA 1.509 2.485 0 C-N-CA 128.408 2.683 . . . . 72.56 110.885 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 p -164.71 167.47 18.99 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 116.674 -1.632 . . . . 73.76 107.174 -171.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.84 132.22 34.32 Favored 'General case' 1 C--O 1.305 4.009 0 O-C-N 127.582 3.052 . . . . 55.64 110.624 -176.07 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.1 m -104.5 135.25 46.28 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 117.406 -1.283 . . . . 63.98 110.957 165.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -111.63 129.49 9.17 Favored Glycine 0 C--O 1.247 0.949 0 O-C-N 125.601 1.813 . . . . 54.03 112.38 162.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TRP . . . . . 0.778 ' HD1' HG21 ' A' ' 109' ' ' THR . 25.0 m-90 -111.69 136.34 51.05 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 114.671 -2.585 . . . . 65.99 105.983 178.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.5 m -131.53 129.65 41.31 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 126.202 2.189 . . . . 55.16 111.042 173.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.6 -163.04 25.77 Favored Glycine 0 N--CA 1.482 1.71 0 CA-C-N 122.399 2.363 . . . . 54.38 116.225 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -144.2 158.97 43.42 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 122.891 1.329 . . . . 83.21 110.287 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -113.5 144.63 42.52 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.464 1.906 . . . . 67.51 108.878 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -124.28 105.22 9.3 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 105.65 -1.981 . . . . 80.4 105.65 169.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -87.56 6.22 35.44 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 116.039 -1.934 . . . . 83.91 113.156 172.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.2 m -67.35 148.2 51.95 Favored 'General case' 0 C--O 1.278 2.58 0 CA-C-N 122.042 2.201 . . . . 77.54 110.441 178.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.59 -158.3 32.23 Favored Glycine 0 C--O 1.275 2.659 0 C-N-CA 123.799 0.714 . . . . 57.43 114.059 172.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.9 p -75.64 -17.23 60.06 Favored 'General case' 0 C--O 1.28 2.702 0 CA-C-O 116.819 -1.562 . . . . 56.33 110.091 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -134.19 143.18 47.72 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 124.502 1.126 . . . . 70.24 109.576 -171.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.72 121.28 43.7 Favored 'General case' 0 C--O 1.204 -1.332 0 C-N-CA 126.32 1.848 . . . . 57.1 108.505 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 130' ' ' PHE . 60.5 t -126.42 146.42 32.28 Favored 'Isoleucine or valine' 0 C--O 1.28 2.702 0 N-CA-C 108.151 -1.055 . . . . 68.56 108.151 -173.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.8 tp -121.48 107.92 13.02 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 103.119 -2.919 . . . . 68.31 103.119 -177.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -92.06 124.12 35.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 104.333 -2.469 . . . . 99.51 104.333 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . 0.778 HG21 ' HD1' ' A' ' 94' ' ' TRP . 1.0 OUTLIER -133.76 145.58 49.95 Favored 'General case' 0 C--O 1.184 -2.38 0 CA-C-O 116.416 -1.754 . . . . 69.68 109.889 -177.591 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 109' ' ' THR . 9.2 m-20 -104.75 158.5 16.47 Favored 'General case' 0 C--O 1.27 2.142 0 C-N-CA 128.697 2.799 . . . . 74.93 110.354 154.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . 0.434 ' CE2' ' HA3' ' A' ' 126' ' ' GLY . 39.3 p-90 -159.26 155.33 26.78 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 117.046 -1.454 . . . . 72.14 110.69 -173.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -130.22 144.59 51.45 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 131.108 3.763 . . . . 70.85 108.391 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . 0.438 ' CD2' ' C ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -143.11 109.0 5.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 117.614 -1.184 . . . . 94.59 110.091 -170.091 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.39 108.66 20.28 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 127.305 2.242 . . . . 79.01 108.612 -173.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' PHE . . . . . 0.423 ' HD2' HD22 ' A' ' 113' ' ' LEU . 52.9 p90 -140.31 -168.81 2.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 125.517 1.761 . . . . 106.86 109.688 -174.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -128.5 171.59 11.95 Favored 'General case' 0 C--O 1.253 1.284 0 O-C-N 124.814 1.322 . . . . 120.12 111.759 -172.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.0 m -125.39 -90.03 0.56 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.806 2.042 . . . . 120.85 106.923 153.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -89.33 -110.43 1.24 Allowed Glycine 0 C--O 1.259 1.689 0 CA-C-O 118.213 -1.326 . . . . 93.54 110.328 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 219' ' ' HOH . 4.6 t -97.32 44.92 1.04 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 128.493 2.717 . . . . 110.09 108.61 163.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 26.6 p -137.6 73.47 48.23 Favored Pre-proline 0 N--CA 1.487 1.387 0 C-N-CA 124.687 1.195 . . . . 100.9 108.922 -161.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.17 147.28 1.49 Allowed 'Trans proline' 0 C--O 1.198 -1.512 0 C-N-CA 122.19 1.927 . . . . 101.5 114.061 171.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . 0.747 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -145.26 173.13 12.22 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.918 1.287 . . . . 88.83 110.493 -175.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ILE . . . . . 0.747 HG13 ' O ' ' A' ' 122' ' ' ALA . 46.4 mt -161.21 89.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 107.356 -1.35 . . . . 95.82 107.356 179.183 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -74.72 153.57 38.79 Favored 'General case' 0 C--O 1.296 3.511 0 O-C-N 125.89 1.994 . . . . 126.64 108.277 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -108.94 166.27 10.95 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 127.638 3.086 . . . . 126.29 107.173 -176.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . 0.434 ' HA3' ' CE2' ' A' ' 111' ' ' TRP . . . -175.88 -172.61 40.82 Favored Glycine 0 N--CA 1.479 1.545 0 CA-C-N 121.026 1.739 . . . . 87.01 113.084 173.782 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -147.3 114.52 6.24 Favored 'General case' 0 C--O 1.243 0.748 0 O-C-N 124.602 0.825 . . . . 118.72 109.972 174.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -103.73 140.16 37.98 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.646 -0.872 . . . . 77.54 108.646 168.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -121.42 128.55 52.29 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 104.972 -2.233 . . . . 94.86 104.972 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 22' ' ' ASN . 74.1 m-85 -114.65 151.59 33.3 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 120.179 1.354 . . . . 62.0 109.675 -174.411 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 43.7 ttm -123.64 138.92 54.45 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.488 1.118 . . . . 89.08 110.018 170.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -67.48 133.8 50.17 Favored 'General case' 0 C--O 1.279 2.639 0 O-C-N 124.801 1.313 . . . . 81.55 107.467 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.1 t -136.61 111.21 8.63 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 117.72 -1.133 . . . . 65.08 108.647 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.6 t -71.01 132.73 32.96 Favored 'Isoleucine or valine' 0 C--O 1.255 1.372 0 O-C-N 127.402 2.939 . . . . 63.85 107.043 -176.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -23.99 121.73 0.05 OUTLIER 'General case' 0 C--O 1.28 2.674 0 O-C-N 125.643 1.839 . . . . 63.92 110.399 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 77.9 p -68.59 136.91 53.78 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 125.822 1.951 . . . . 66.43 106.958 163.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.7 t -110.59 141.57 25.53 Favored 'Isoleucine or valine' 0 C--O 1.264 1.843 0 O-C-N 124.779 1.3 . . . . 77.95 108.271 -175.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 18.8 m -136.05 146.55 47.21 Favored 'General case' 0 C--O 1.268 2.065 0 O-C-N 124.734 1.271 . . . . 87.88 109.327 177.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -48.99 -38.35 22.97 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 125.865 1.978 . . . . 127.56 107.278 169.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -167.81 172.18 9.34 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.885 0.874 . . . . 83.44 112.355 -174.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.79 -18.04 63.69 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.809 1.244 . . . . 71.89 111.915 174.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 30.8 mt -100.72 -39.14 7.99 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-N 119.475 1.034 . . . . 114.64 112.197 -173.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.7 p -75.46 135.0 40.72 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.187 1.395 . . . . 102.78 108.237 174.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.496 1.861 0 C-N-CA 124.648 1.179 . . . . 104.78 109.714 170.887 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' B' ' 204' ' ' HOH . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 108.135 -1.061 . . . . 104.83 108.135 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -110.11 134.89 51.71 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 126.407 2.317 . . . . 113.71 111.587 -162.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . 0.554 ' H ' ' CD2' ' B' ' 14' ' ' LEU . 0.0 OUTLIER -130.13 25.76 5.21 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 128.886 2.874 . . . . 131.59 105.502 174.647 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.24 175.78 0.21 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.299 1.84 . . . . 138.54 108.899 -169.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 58.25 -152.86 28.4 Favored Glycine 0 C--O 1.266 2.144 0 CA-C-O 118.557 -1.135 . . . . 118.69 110.702 -157.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.85 131.19 35.2 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-N 118.18 0.99 . . . . 88.23 110.03 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.1 p -122.38 146.26 47.5 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 126.983 2.113 . . . . 70.59 110.956 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -118.04 119.56 35.13 Favored 'General case' 0 C--O 1.256 1.399 0 C-N-CA 125.14 1.376 . . . . 66.5 109.692 -170.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -131.57 124.85 30.87 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 116.883 -1.532 . . . . 65.87 108.611 -168.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 t -121.14 126.49 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 125.705 1.878 . . . . 58.2 110.219 -167.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASN . . . . . 0.547 ' HB3' ' CD2' ' B' ' 130' ' ' PHE . 30.8 p30 -100.88 -175.76 2.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 119.384 -0.926 . . . . 61.49 109.532 -175.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pm0 -66.93 -16.45 64.34 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 125.948 2.03 . . . . 78.46 112.485 -170.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.2 m -99.95 8.88 43.74 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 120.126 1.33 . . . . 70.72 111.445 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.92 -7.99 79.45 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-O 116.719 -2.156 . . . . 65.55 112.053 -170.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 29.4 m -67.22 138.98 57.35 Favored 'General case' 0 C--O 1.28 2.7 0 CA-C-N 120.015 1.907 . . . . 56.59 109.867 -168.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.0 t -115.37 121.51 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 119.082 -0.485 . . . . 65.32 110.621 -175.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.24 121.72 41.91 Favored 'General case' 0 C--O 1.275 2.429 0 C-N-CA 125.016 1.326 . . . . 59.43 110.67 163.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -104.5 120.06 40.41 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.14 -1.059 . . . . 61.29 108.14 166.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -106.16 142.24 36.18 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-O 123.17 1.462 . . . . 58.03 110.498 -176.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 80.4 t -126.3 136.53 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 103.259 -2.867 . . . . 71.93 103.259 173.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -124.31 127.31 47.44 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 125.608 1.563 . . . . 55.36 109.608 -172.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' THR . . . . . 0.44 ' HA ' ' HD2' ' B' ' 34' ' ' PRO 0.263 14.2 p -131.28 125.14 20.74 Favored Pre-proline 0 C--N 1.313 -0.989 0 N-CA-C 105.0 -2.222 . . . . 68.79 105.0 177.731 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 34' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' B' ' 33' ' ' THR . 14.0 Cg_endo -49.5 138.0 31.81 Favored 'Trans proline' 0 C--O 1.198 -1.505 0 C-N-CA 120.981 1.121 . . . . 63.71 113.774 175.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 39.2 t -82.63 135.81 45.85 Favored Pre-proline 0 N--CA 1.482 1.127 0 N-CA-C 106.121 -1.807 . . . . 68.46 106.121 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -67.95 -29.02 34.97 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 N-CA-C 115.759 1.407 . . . . 89.38 115.759 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 70.6 p -107.41 -24.11 11.95 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 116.318 -1.801 . . . . 68.25 110.72 -169.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -112.34 103.18 55.25 Favored Pre-proline 0 N--CA 1.499 1.978 0 C-N-CA 124.898 1.279 . . . . 61.92 110.827 -163.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -66.78 146.49 78.61 Favored 'Trans proline' 0 CA--C 1.558 1.722 0 O-C-N 117.589 -1.848 . . . . 57.31 115.444 -172.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 47.02 35.63 3.51 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 126.036 1.734 . . . . 81.86 112.697 -167.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 37.1 m -121.23 133.19 55.15 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 125.126 1.37 . . . . 53.22 109.132 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' TYR . . . . . 0.401 ' CD1' ' HA ' ' B' ' 34' ' ' PRO . 98.7 m-85 -119.9 137.05 54.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.97 1.708 . . . . 72.03 106.422 178.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.07 124.36 23.56 Favored 'General case' 0 C--O 1.253 1.275 0 N-CA-C 105.757 -1.942 . . . . 88.52 105.757 159.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.89 131.26 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 O-C-N 126.33 2.269 . . . . 60.4 107.154 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 86.2 p -136.8 -173.65 3.5 Favored 'General case' 0 C--O 1.198 -1.656 0 N-CA-C 107.013 -1.477 . . . . 55.19 107.013 166.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 128.95 -152.07 19.28 Favored Glycine 0 C--O 1.277 2.8 0 N-CA-C 110.935 -0.866 . . . . 54.2 110.935 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -138.24 148.85 45.18 Favored 'General case' 0 C--O 1.284 2.91 0 O-C-N 125.296 1.233 . . . . 75.63 108.498 -169.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -126.85 128.46 46.55 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 125.993 2.058 . . . . 60.31 110.844 174.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.26 117.7 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 106.67 -1.604 . . . . 68.87 106.67 175.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -84.99 130.06 34.69 Favored 'General case' 0 C--O 1.266 1.963 0 N-CA-C 105.826 -1.916 . . . . 52.56 105.826 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' B' ' 202' ' ' HOH . 37.0 m-20 -135.69 29.53 3.2 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 118.326 0.512 . . . . 76.5 109.811 172.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.48 131.23 34.68 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 108.697 -0.853 . . . . 55.77 108.697 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -57.38 -48.42 79.12 Favored 'General case' 0 C--O 1.27 2.149 0 CA-C-O 117.26 -1.353 . . . . 67.87 112.663 -163.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.37 -17.49 61.92 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 116.272 1.269 . . . . 70.92 116.272 -173.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.7 p -105.32 167.47 9.72 Favored 'General case' 0 C--O 1.185 -2.29 0 O-C-N 121.396 -1.061 . . . . 66.16 111.982 -152.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.01 -174.36 40.91 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-O 116.721 -2.155 . . . . 50.05 109.375 164.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 95.7 m 60.75 47.89 7.57 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.823 1.649 . . . . 53.29 107.679 174.092 -66.034 85.48 112.772 109.573 2.236 101.957 91.899 -65.956 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -108.11 143.26 37.11 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 125.74 1.9 . . . . 54.78 107.825 -171.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.55 10.44 85.25 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 115.102 -3.055 . . . . 54.03 117.318 170.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 8.7 p -141.68 159.48 42.13 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 122.298 3.049 . . . . 66.36 110.374 -178.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 17.8 m -71.7 118.02 14.01 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 127.553 2.341 . . . . 139.33 110.402 -172.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -113.09 120.41 40.43 Favored Pre-proline 0 C--N 1.319 -0.721 0 C-N-CA 124.675 1.19 . . . . 51.02 108.353 164.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -52.14 134.65 50.69 Favored 'Trans proline' 0 C--O 1.268 2.022 0 C-N-CA 121.204 1.269 . . . . 50.89 113.936 169.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . 0.519 ' C ' HD12 ' B' ' 64' ' ' LEU . 4.6 pp -112.84 149.89 32.46 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.15 -0.932 . . . . 62.26 108.736 172.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.21 132.21 41.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.168 1.787 . . . . 65.76 106.574 -178.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.54 -145.13 5.5 Favored Glycine 0 N--CA 1.463 0.44 0 C-N-CA 118.3 -1.905 . . . . 54.48 113.479 160.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.69 141.13 26.49 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 109.254 -0.647 . . . . 60.98 109.254 -172.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -123.45 128.29 49.61 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 126.205 2.19 . . . . 64.6 108.616 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' TYR . . . . . 0.648 ' CE2' ' HA3' ' B' ' 71' ' ' GLY . 69.2 t80 -105.54 109.11 20.96 Favored 'General case' 0 C--O 1.256 1.417 0 N-CA-C 107.106 -1.442 . . . . 85.6 107.106 176.049 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' SER . . . . . 0.434 ' O ' ' C ' ' B' ' 71' ' ' GLY . 28.6 t -65.94 -46.87 76.62 Favored 'General case' 0 C--O 1.25 1.082 0 O-C-N 127.199 2.812 . . . . 88.98 109.073 -171.431 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLY . . . . . 0.648 ' HA3' ' CE2' ' B' ' 69' ' ' TYR . . . -32.18 -60.04 0.36 Allowed Glycine 0 N--CA 1.465 0.579 0 O-C-N 125.524 1.765 . . . . 79.62 110.542 -173.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASN . . . . . 0.426 ' OD1' HG13 ' B' ' 74' ' ' ILE . 56.5 p30 -120.42 24.25 10.45 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 118.536 1.168 . . . . 86.07 108.685 -174.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLN . . . . . 0.627 ' HG2' ' HE1' ' B' ' 100' ' ' PHE . 15.6 mp0 53.79 51.82 14.2 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.909 1.683 . . . . 87.97 109.91 171.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ILE . . . . . 0.426 HG13 ' OD1' ' B' ' 72' ' ' ASN . 1.1 mt -102.22 155.89 4.88 Favored 'Isoleucine or valine' 0 C--O 1.261 1.671 0 O-C-N 124.881 1.363 . . . . 85.86 109.117 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 5.6 tt -151.53 159.2 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 124.719 1.262 . . . . 63.74 110.29 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 47.8 t -158.89 126.88 5.09 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 126.085 2.116 . . . . 49.64 107.105 174.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -150.69 160.42 43.85 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 125.043 1.464 . . . . 59.03 112.609 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.5 m -131.24 150.01 52.33 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 113.793 -1.549 . . . . 53.34 111.133 -167.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 t -136.92 124.59 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 103.153 -2.906 . . . . 48.12 103.153 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.5 t -92.75 120.58 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-O 116.612 -1.661 . . . . 52.12 107.004 164.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -78.91 61.62 3.17 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 126.419 2.324 . . . . 48.0 105.811 -168.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 11.7 t -145.07 119.99 9.97 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 113.049 -1.887 . . . . 47.41 110.918 173.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -150.3 -175.42 5.07 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 105.687 -1.968 . . . . 50.16 105.687 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.08 -18.48 63.27 Favored 'General case' 0 C--O 1.258 1.546 0 C-N-CA 123.786 0.834 . . . . 52.47 111.107 -172.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 13.2 p -92.57 -35.8 13.37 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 119.04 0.836 . . . . 59.37 110.129 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.51 147.53 7.53 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 119.851 1.205 . . . . 54.48 112.368 -168.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -129.93 127.12 39.46 Favored 'General case' 0 C--O 1.264 1.837 0 O-C-N 126.082 2.114 . . . . 55.83 108.523 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 96.4 m -119.02 7.13 11.34 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.946 1.404 . . . . 58.07 109.469 179.241 -65.956 91.899 112.772 101.957 2.236 109.573 85.48 -66.034 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 55.07 44.52 27.89 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.352 1.861 . . . . 66.75 108.59 164.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 p -156.94 170.86 21.54 Favored 'General case' 0 C--O 1.253 1.251 0 N-CA-C 107.213 -1.403 . . . . 58.82 107.213 -174.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.9 138.27 35.52 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.695 1.872 . . . . 54.66 109.359 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -116.3 139.74 50.07 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 115.722 -2.085 . . . . 52.62 110.386 171.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.43 127.56 7.43 Favored Glycine 0 CA--C 1.546 1.99 0 O-C-N 127.391 2.932 . . . . 66.17 115.977 163.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 20.1 m-90 -108.9 132.46 54.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 130.583 3.553 . . . . 66.61 105.851 -176.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -142.35 124.33 15.29 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 113.756 -3.021 . . . . 69.87 105.933 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.61 -163.87 30.6 Favored Glycine 0 N--CA 1.482 1.742 0 O-C-N 126.313 2.258 . . . . 65.93 113.145 -176.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -136.4 156.6 48.4 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 124.101 1.905 . . . . 92.98 113.758 -168.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' PHE . . . . . 0.506 ' HB2' ' HB3' ' B' ' 73' ' ' GLN . 52.0 m-85 -99.42 164.93 11.9 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 120.137 -1.602 . . . . 87.18 109.721 176.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -158.13 92.21 1.16 Allowed 'General case' 0 C--O 1.285 2.971 0 C-N-CA 129.743 3.217 . . . . 82.01 106.55 -178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' PHE . . . . . 0.627 ' HE1' ' HG2' ' B' ' 73' ' ' GLN . 58.7 m-85 -84.5 -4.49 58.98 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 124.634 1.174 . . . . 78.42 111.699 -173.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 84.3 p -61.15 144.17 54.13 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 125.405 1.691 . . . . 88.52 108.292 -170.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.01 -158.97 32.3 Favored Glycine 0 N--CA 1.469 0.872 0 O-C-N 124.216 0.947 . . . . 59.85 112.784 167.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 54.5 p -81.37 -15.27 55.76 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 116.443 -1.741 . . . . 66.3 108.591 -173.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -136.97 150.46 48.17 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 107.548 -1.279 . . . . 90.82 107.548 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.96 130.11 53.96 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 126.394 2.309 . . . . 63.82 107.529 -179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 90.0 t -129.46 137.7 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-N 119.555 1.07 . . . . 66.97 111.51 -173.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 7.7 tp -112.45 130.13 56.09 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.971 -1.122 . . . . 64.87 107.971 170.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -114.69 132.96 56.23 Favored 'General case' 0 C--O 1.27 2.176 0 O-C-N 124.957 1.411 . . . . 95.24 108.891 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 31.0 p -140.56 150.24 43.42 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 124.338 1.024 . . . . 66.38 112.588 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.4 129.05 48.77 Favored 'General case' 0 C--O 1.264 1.833 0 O-C-N 128.044 3.34 . . . . 94.16 106.189 168.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 111' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -123.49 153.82 40.0 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.564 -0.854 . . . . 82.01 110.647 -177.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -128.03 149.37 50.4 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 116.18 -1.867 . . . . 81.89 107.699 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 tp -141.69 116.07 9.52 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.48 1.036 . . . . 67.92 112.447 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -88.19 127.84 35.44 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 125.441 1.497 . . . . 63.27 107.728 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -156.57 172.49 18.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 125.061 1.476 . . . . 78.05 111.144 179.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -118.0 144.09 45.84 Favored 'General case' 0 C--O 1.261 1.702 0 C-N-CA 125.022 1.329 . . . . 88.82 110.321 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 66.2 m -101.18 -65.52 0.97 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 126.725 2.01 . . . . 86.47 109.449 171.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' GLY . . . . . 0.871 ' N ' ' OG1' ' B' ' 120' ' ' THR . . . -102.12 -139.6 10.65 Favored Glycine 0 N--CA 1.483 1.79 0 CA-C-O 116.584 -2.231 . . . . 103.18 109.272 169.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 28.3 t -71.98 30.0 0.05 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 119.859 1.829 . . . . 124.83 108.176 156.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' THR . . . . . 0.871 ' OG1' ' N ' ' B' ' 118' ' ' GLY . 16.8 p -113.89 84.37 8.56 Favored Pre-proline 0 N--CA 1.478 0.959 0 C-N-CA 128.21 2.604 . . . . 92.43 109.76 -160.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.63 154.69 70.97 Favored 'Trans proline' 0 C--O 1.18 -2.376 0 C-N-CA 121.286 1.324 . . . . 90.57 111.367 -175.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.56 148.73 12.76 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 124.97 1.308 . . . . 72.4 112.265 -167.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mt -126.5 98.24 4.69 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.15 0 CA-C-O 115.868 -2.015 . . . . 79.2 105.855 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' GLN . . . . . 0.655 ' HG3' ' N ' ' B' ' 125' ' ' GLN . 6.7 tp-100 -65.93 -176.08 0.36 Allowed 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 116.239 -1.838 . . . . 92.6 107.172 170.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 125' ' ' GLN . . . . . 0.655 ' N ' ' HG3' ' B' ' 124' ' ' GLN . 0.0 OUTLIER -162.55 173.2 14.3 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 117.544 -1.217 . . . . 99.27 109.349 173.02 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.53 -166.69 39.46 Favored Glycine 0 N--CA 1.477 1.402 0 CA-C-O 117.613 -1.659 . . . . 63.63 112.961 -174.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -145.39 134.85 23.17 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 125.717 1.607 . . . . 87.37 110.971 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -128.87 146.04 51.05 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 117.096 -1.43 . . . . 76.01 107.633 177.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.64 115.95 22.99 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 128.025 3.328 . . . . 75.18 110.718 177.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 130' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 51.3 m-85 -105.69 142.75 34.88 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 116.083 -1.913 . . . . 69.0 106.548 -175.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 25.9 ttm -117.22 140.13 49.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 126.318 2.261 . . . . 70.41 110.536 169.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -62.63 137.87 58.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.789 0.436 . . . . 74.58 110.971 172.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 2.6 m -141.74 116.91 10.04 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 107.576 -1.268 . . . . 85.7 107.576 172.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 71.6 t -78.06 139.15 19.02 Favored 'Isoleucine or valine' 0 C--O 1.272 2.28 0 N-CA-C 106.603 -1.629 . . . . 61.51 106.603 -176.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -29.17 118.06 0.12 Allowed 'General case' 0 C--O 1.28 2.679 0 O-C-N 126.313 2.258 . . . . 67.02 110.586 172.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' THR . . . . . . . . . . . . . 67.0 p -64.15 148.64 49.5 Favored 'General case' 0 C--O 1.274 2.377 0 N-CA-C 105.959 -1.867 . . . . 64.27 105.959 162.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 52.4 t -117.84 137.31 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 124.737 1.273 . . . . 62.39 108.77 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 72.3 m -125.32 146.9 49.36 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 125.362 1.664 . . . . 69.21 109.878 -178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -51.21 -47.23 62.35 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 106.373 -1.714 . . . . 99.39 106.373 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 20.3 p -152.74 178.32 9.76 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.001 -1.111 . . . . 63.36 108.001 -175.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.4 tp -64.34 -41.78 96.6 Favored 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 106.603 -1.629 . . . . 61.0 106.603 171.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.88 -36.58 80.5 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 116.522 -1.704 . . . . 69.43 111.564 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' B' ' 227' ' ' HOH . 66.8 p -149.86 135.72 18.61 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.652 1.114 . . . . 76.07 113.397 -167.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 N--CA 1.496 1.871 1 C-N-CA 132.239 4.215 . . . . 104.28 108.217 161.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.667 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . 0.637 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . 0.42 ' O ' ' HB2' ' A' ' 119' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.504 ' O ' ' ND2' ' B' ' 51' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . 0.589 ' O ' ' N ' ' B' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . 0.432 ' O ' ' HB ' ' B' ' 143' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 108.171 -1.048 . . . . 102.18 108.171 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.1 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.1 pp -126.7 127.65 45.46 Favored 'General case' 0 C--O 1.262 1.756 0 C-N-CA 125.909 1.684 . . . . 112.34 107.654 -159.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.08 44.29 2.99 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 125.649 1.843 . . . . 113.87 108.28 170.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.89 132.73 45.68 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.205 0.911 . . . . 109.23 108.732 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.38 -175.14 47.55 Favored Glycine 0 C--O 1.273 2.579 0 C-N-CA 124.882 1.229 . . . . 80.05 112.047 -157.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.47 134.89 33.65 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.313 -0.625 . . . . 76.34 109.313 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.6 p -122.91 153.34 39.81 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.203 0.601 . . . . 61.15 111.295 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -116.14 124.56 50.65 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-O 118.597 -0.716 . . . . 75.81 110.168 -172.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -127.12 123.07 35.94 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 115.943 -1.98 . . . . 62.12 109.23 -171.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 t -117.73 128.23 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.304 0 O-C-N 125.583 1.802 . . . . 61.52 109.374 -170.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 202' ' ' HOH . 30.5 p30 -92.54 175.71 6.73 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 124.514 1.134 . . . . 52.33 108.335 -175.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -54.53 -40.01 68.23 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 125.977 1.711 . . . . 83.98 109.852 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -87.75 7.3 30.92 Favored 'General case' 0 C--O 1.271 2.206 0 CA-C-N 118.639 0.654 . . . . 70.94 111.225 -177.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.56 -13.17 64.73 Favored Glycine 0 N--CA 1.477 1.378 0 CA-C-O 115.9 -2.611 . . . . 65.85 114.71 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -55.5 150.4 12.01 Favored 'General case' 0 C--O 1.266 1.97 0 CA-C-N 120.717 2.259 . . . . 69.19 110.818 173.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 t -125.0 124.94 68.71 Favored 'Isoleucine or valine' 0 C--O 1.279 2.619 0 O-C-N 124.334 1.021 . . . . 84.43 108.893 -166.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.68 119.22 38.48 Favored 'General case' 0 C--O 1.276 2.456 0 O-C-N 125.876 1.985 . . . . 58.32 108.102 170.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -107.68 118.06 35.75 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 125.023 1.452 . . . . 71.59 107.669 170.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -104.66 138.33 41.14 Favored 'General case' 0 C--O 1.273 2.305 0 CA-C-O 122.065 0.936 . . . . 51.77 111.033 -169.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.55 138.47 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.585 -1.322 . . . . 68.14 108.247 163.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -117.33 128.22 54.83 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.523 1.139 . . . . 51.37 110.045 -173.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 m -126.37 136.12 28.17 Favored Pre-proline 0 N--CA 1.474 0.762 0 N-CA-C 107.885 -1.154 . . . . 61.6 107.885 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -66.78 138.48 49.01 Favored 'Trans proline' 0 C--O 1.192 -1.779 0 N-CA-C 104.604 -2.883 . . . . 65.61 104.604 -172.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -63.98 136.86 96.92 Favored Pre-proline 0 N--CA 1.478 0.948 0 N-CA-C 107.074 -1.454 . . . . 62.18 107.074 165.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -67.76 -11.58 32.59 Favored 'Trans proline' 0 C--O 1.17 -2.894 0 CA-C-O 115.033 -2.153 . . . . 66.72 115.828 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.9 p -137.93 -20.45 1.13 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 115.811 -2.042 . . . . 56.9 111.397 -162.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -105.73 108.54 61.76 Favored Pre-proline 0 N--CA 1.476 0.865 0 CA-C-N 119.944 1.247 . . . . 50.71 108.427 -169.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.74 128.46 24.18 Favored 'Trans proline' 0 C--O 1.268 2.02 0 C-N-CA 121.196 1.264 . . . . 51.82 111.141 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 57.9 31.98 21.31 Favored 'General case' 0 C--O 1.275 2.43 0 O-C-N 125.557 1.786 . . . . 68.04 110.984 171.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.5 m -116.18 137.9 51.74 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 117.411 -1.28 . . . . 50.27 108.421 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -122.37 136.33 54.88 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 125.814 1.946 . . . . 58.73 109.1 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.97 132.17 46.26 Favored 'General case' 0 C--O 1.26 1.65 0 O-C-N 126.913 2.633 . . . . 82.23 106.403 165.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.3 t -103.08 126.04 57.43 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 O-C-N 125.659 1.85 . . . . 55.13 106.03 -176.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.2 p -126.11 -175.94 3.5 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 108.321 -0.992 . . . . 50.14 108.321 166.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.82 -152.97 19.8 Favored Glycine 0 C--O 1.218 -0.903 0 N-CA-C 108.393 -1.883 . . . . 47.19 108.393 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -146.03 143.01 29.16 Favored 'General case' 1 C--O 1.31 4.277 0 O-C-N 125.662 1.448 . . . . 70.22 107.752 -164.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -119.75 129.63 54.58 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 126.715 2.509 . . . . 73.78 108.657 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.8 106.48 17.65 Favored 'Isoleucine or valine' 0 C--O 1.291 3.275 0 N-CA-C 104.672 -2.344 . . . . 69.27 104.672 174.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -72.91 115.23 11.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 128.834 3.834 . . . . 72.25 110.862 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -128.48 33.45 4.68 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 117.21 -1.376 . . . . 79.38 110.839 -170.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' O ' ' OG1' ' A' ' 55' ' ' THR . . . -92.27 141.67 28.3 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 116.693 -1.622 . . . . 97.77 109.6 -176.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -48.15 -62.19 1.6 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 119.275 0.943 . . . . 150.0 112.806 -171.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.97 39.63 2.69 Favored Glycine 0 N--CA 1.474 1.2 0 CA-C-O 117.829 -1.539 . . . . 107.72 112.992 -158.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 52' ' ' ALA . 7.5 p -124.87 149.08 47.89 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 116.404 -1.76 . . . . 101.3 110.575 -162.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.36 164.92 54.48 Favored Glycine 0 C--O 1.292 3.776 0 O-C-N 127.184 2.803 . . . . 74.42 113.374 162.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.0 m 56.08 55.09 7.16 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.354 1.461 . . . . 67.18 107.848 166.354 -66.244 87.038 119.45 102.165 2.059 104.914 77.308 -62.577 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . 0.267 41.8 mtpt -105.2 158.76 16.37 Favored 'General case' 0 C--O 1.276 2.482 0 C-N-CA 125.671 1.588 . . . . 85.41 114.632 176.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.21 10.76 57.63 Favored Glycine 0 N--CA 1.479 1.532 0 CA-C-O 117.037 -1.979 . . . . 55.13 115.845 173.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -130.78 159.86 36.07 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 121.39 2.595 . . . . 73.3 110.67 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.8 m -73.82 123.65 24.58 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.067 0.947 . . . . 87.69 111.029 -175.305 -88.088 0.0 0.0 0.0 0.0 0.0 0.0 -88.088 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -106.46 125.35 33.08 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.749 -1.204 . . . . 56.38 107.749 163.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -51.89 139.13 51.04 Favored 'Trans proline' 0 C--O 1.26 1.583 0 CA-C-O 124.954 1.981 . . . . 49.34 115.723 166.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.522 HD12 ' C ' ' A' ' 64' ' ' LEU 0.256 3.0 pp -120.75 149.54 42.38 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 116.918 -1.913 . . . . 60.08 106.927 173.343 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.9 p -137.99 134.25 34.62 Favored 'General case' 0 C--O 1.278 2.603 0 C-N-CA 125.798 1.639 . . . . 66.14 107.665 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.26 -147.5 5.93 Favored Glycine 0 N--CA 1.474 1.172 0 C-N-CA 119.77 -1.205 . . . . 45.31 110.364 166.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.16 154.91 44.37 Favored 'General case' 0 C--O 1.284 2.894 0 O-C-N 125.982 1.636 . . . . 43.35 108.896 -172.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -139.72 139.82 36.63 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.231 -0.44 . . . . 57.27 111.098 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -112.55 111.38 22.15 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 107.029 -1.471 . . . . 58.26 107.029 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.1 p -82.07 -8.36 59.66 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 117.083 -1.437 . . . . 62.46 110.434 -170.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.16 -46.83 93.16 Favored Glycine 0 C--O 1.277 2.806 0 CA-C-O 117.641 -1.644 . . . . 61.6 109.392 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.637 ' O ' ' O ' ' A' ' 203' ' ' HOH . 23.3 p30 -130.99 20.52 4.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 126.262 1.801 . . . . 72.92 111.175 174.613 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 65.06 52.9 1.44 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 106.741 -1.577 . . . . 71.19 106.741 160.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.0 mt -112.49 150.14 14.8 Favored 'Isoleucine or valine' 0 C--O 1.3 3.755 0 CA-C-N 114.444 -1.253 . . . . 59.34 110.75 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.7 tt -144.13 157.52 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 108.99 -0.744 . . . . 49.52 108.99 -171.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 t -151.47 119.59 6.29 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 104.667 -2.346 . . . . 50.5 104.667 169.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -134.59 166.31 23.19 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 125.183 1.552 . . . . 51.58 108.75 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.4 m -136.44 147.91 47.47 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 126.093 2.121 . . . . 50.84 111.46 -174.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -129.24 127.07 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 106.011 -1.848 . . . . 50.43 106.011 173.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.5 t -89.1 121.01 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 105.579 -2.008 . . . . 55.21 105.579 162.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -81.31 64.33 6.0 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-O 116.528 -1.701 . . . . 59.45 107.988 -174.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 t -140.78 117.34 10.86 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.702 1.601 . . . . 56.67 109.971 169.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -143.73 -174.6 4.29 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-O 115.45 -2.214 . . . . 55.7 106.631 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.29 -9.67 54.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 125.196 1.56 . . . . 57.81 111.413 -170.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 m -102.87 -38.58 7.34 Favored 'General case' 0 N--CA 1.5 2.057 0 C-N-CA 126.076 1.75 . . . . 69.51 111.217 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -168.92 130.11 1.19 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.459 1.481 . . . . 67.98 113.562 -169.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -109.92 111.75 23.35 Favored 'General case' 0 C--O 1.259 1.593 0 C-N-CA 129.688 3.195 . . . . 71.89 109.278 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 71.0 m -103.86 10.63 36.34 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 118.068 -0.968 . . . . 68.77 109.239 176.457 -62.577 77.308 119.45 104.914 2.059 102.165 87.038 -66.244 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 34.6 64.98 0.37 Allowed 'General case' 0 N--CA 1.509 2.485 0 C-N-CA 128.408 2.683 . . . . 72.56 110.885 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 p -164.71 167.47 18.99 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 116.674 -1.632 . . . . 73.76 107.174 -171.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.84 132.22 34.32 Favored 'General case' 1 C--O 1.305 4.009 0 O-C-N 127.582 3.052 . . . . 55.64 110.624 -176.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.1 m -104.5 135.25 46.28 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 117.406 -1.283 . . . . 63.98 110.957 165.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -111.63 129.49 9.17 Favored Glycine 0 C--O 1.247 0.949 0 O-C-N 125.601 1.813 . . . . 54.03 112.38 162.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.778 ' HD1' HG21 ' A' ' 109' ' ' THR . 25.0 m-90 -111.69 136.34 51.05 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 114.671 -2.585 . . . . 65.99 105.983 178.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.5 m -131.53 129.65 41.31 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 126.202 2.189 . . . . 55.16 111.042 173.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.6 -163.04 25.77 Favored Glycine 0 N--CA 1.482 1.71 0 CA-C-N 122.399 2.363 . . . . 54.38 116.225 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -144.2 158.97 43.42 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 122.891 1.329 . . . . 83.21 110.287 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -113.5 144.63 42.52 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.464 1.906 . . . . 67.51 108.878 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -124.28 105.22 9.3 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 105.65 -1.981 . . . . 80.4 105.65 169.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -87.56 6.22 35.44 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 116.039 -1.934 . . . . 83.91 113.156 172.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.2 m -67.35 148.2 51.95 Favored 'General case' 0 C--O 1.278 2.58 0 CA-C-N 122.042 2.201 . . . . 77.54 110.441 178.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.59 -158.3 32.23 Favored Glycine 0 C--O 1.275 2.659 0 C-N-CA 123.799 0.714 . . . . 57.43 114.059 172.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.9 p -75.64 -17.23 60.06 Favored 'General case' 0 C--O 1.28 2.702 0 CA-C-O 116.819 -1.562 . . . . 56.33 110.091 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -134.19 143.18 47.72 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 124.502 1.126 . . . . 70.24 109.576 -171.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.72 121.28 43.7 Favored 'General case' 0 C--O 1.204 -1.332 0 C-N-CA 126.32 1.848 . . . . 57.1 108.505 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 130' ' ' PHE . 60.5 t -126.42 146.42 32.28 Favored 'Isoleucine or valine' 0 C--O 1.28 2.702 0 N-CA-C 108.151 -1.055 . . . . 68.56 108.151 -173.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.8 tp -121.48 107.92 13.02 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 103.119 -2.919 . . . . 68.31 103.119 -177.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -92.06 124.12 35.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 104.333 -2.469 . . . . 99.51 104.333 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . 0.778 HG21 ' HD1' ' A' ' 94' ' ' TRP . 1.0 OUTLIER -133.76 145.58 49.95 Favored 'General case' 0 C--O 1.184 -2.38 0 CA-C-O 116.416 -1.754 . . . . 69.68 109.889 -177.591 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 109' ' ' THR . 9.2 m-20 -104.75 158.5 16.47 Favored 'General case' 0 C--O 1.27 2.142 0 C-N-CA 128.697 2.799 . . . . 74.93 110.354 154.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.434 ' CE2' ' HA3' ' A' ' 126' ' ' GLY . 39.3 p-90 -159.26 155.33 26.78 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 117.046 -1.454 . . . . 72.14 110.69 -173.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -130.22 144.59 51.45 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 131.108 3.763 . . . . 70.85 108.391 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.438 ' CD2' ' C ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -143.11 109.0 5.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 117.614 -1.184 . . . . 94.59 110.091 -170.091 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.39 108.66 20.28 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 127.305 2.242 . . . . 79.01 108.612 -173.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.423 ' HD2' HD22 ' A' ' 113' ' ' LEU . 52.9 p90 -140.31 -168.81 2.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 125.517 1.761 . . . . 106.86 109.688 -174.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -128.5 171.59 11.95 Favored 'General case' 0 C--O 1.253 1.284 0 O-C-N 124.814 1.322 . . . . 120.12 111.759 -172.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.0 m -125.39 -90.03 0.56 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.806 2.042 . . . . 120.85 106.923 153.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -89.33 -110.43 1.24 Allowed Glycine 0 C--O 1.259 1.689 0 CA-C-O 118.213 -1.326 . . . . 93.54 110.328 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 219' ' ' HOH . 4.6 t -97.32 44.92 1.04 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 128.493 2.717 . . . . 110.09 108.61 163.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 26.6 p -137.6 73.47 48.23 Favored Pre-proline 0 N--CA 1.487 1.387 0 C-N-CA 124.687 1.195 . . . . 100.9 108.922 -161.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.17 147.28 1.49 Allowed 'Trans proline' 0 C--O 1.198 -1.512 0 C-N-CA 122.19 1.927 . . . . 101.5 114.061 171.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.747 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -145.26 173.13 12.22 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.918 1.287 . . . . 88.83 110.493 -175.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.747 HG13 ' O ' ' A' ' 122' ' ' ALA . 46.4 mt -161.21 89.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 107.356 -1.35 . . . . 95.82 107.356 179.183 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -74.72 153.57 38.79 Favored 'General case' 0 C--O 1.296 3.511 0 O-C-N 125.89 1.994 . . . . 126.64 108.277 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -108.94 166.27 10.95 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 127.638 3.086 . . . . 126.29 107.173 -176.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.434 ' HA3' ' CE2' ' A' ' 111' ' ' TRP . . . -175.88 -172.61 40.82 Favored Glycine 0 N--CA 1.479 1.545 0 CA-C-N 121.026 1.739 . . . . 87.01 113.084 173.782 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -147.3 114.52 6.24 Favored 'General case' 0 C--O 1.243 0.748 0 O-C-N 124.602 0.825 . . . . 118.72 109.972 174.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -103.73 140.16 37.98 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.646 -0.872 . . . . 77.54 108.646 168.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -121.42 128.55 52.29 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 104.972 -2.233 . . . . 94.86 104.972 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 22' ' ' ASN . 74.1 m-85 -114.65 151.59 33.3 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 120.179 1.354 . . . . 62.0 109.675 -174.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 43.7 ttm -123.64 138.92 54.45 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.488 1.118 . . . . 89.08 110.018 170.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -67.48 133.8 50.17 Favored 'General case' 0 C--O 1.279 2.639 0 O-C-N 124.801 1.313 . . . . 81.55 107.467 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.1 t -136.61 111.21 8.63 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 117.72 -1.133 . . . . 65.08 108.647 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.6 t -71.01 132.73 32.96 Favored 'Isoleucine or valine' 0 C--O 1.255 1.372 0 O-C-N 127.402 2.939 . . . . 63.85 107.043 -176.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -23.99 121.73 0.05 OUTLIER 'General case' 0 C--O 1.28 2.674 0 O-C-N 125.643 1.839 . . . . 63.92 110.399 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 77.9 p -68.59 136.91 53.78 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 125.822 1.951 . . . . 66.43 106.958 163.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.7 t -110.59 141.57 25.53 Favored 'Isoleucine or valine' 0 C--O 1.264 1.843 0 O-C-N 124.779 1.3 . . . . 77.95 108.271 -175.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 18.8 m -136.05 146.55 47.21 Favored 'General case' 0 C--O 1.268 2.065 0 O-C-N 124.734 1.271 . . . . 87.88 109.327 177.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -48.99 -38.35 22.97 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 125.865 1.978 . . . . 127.56 107.278 169.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -167.81 172.18 9.34 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.885 0.874 . . . . 83.44 112.355 -174.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.79 -18.04 63.69 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.809 1.244 . . . . 71.89 111.915 174.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 30.8 mt -100.72 -39.14 7.99 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-N 119.475 1.034 . . . . 114.64 112.197 -173.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.7 p -75.46 135.0 40.72 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.187 1.395 . . . . 102.78 108.237 174.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.496 1.861 0 C-N-CA 124.648 1.179 . . . . 104.78 109.714 170.887 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' B' ' 204' ' ' HOH . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 108.135 -1.061 . . . . 104.83 108.135 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -110.11 134.89 51.71 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 126.407 2.317 . . . . 113.71 111.587 -162.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.554 ' H ' ' CD2' ' B' ' 14' ' ' LEU . 0.0 OUTLIER -130.13 25.76 5.21 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 128.886 2.874 . . . . 131.59 105.502 174.647 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.24 175.78 0.21 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.299 1.84 . . . . 138.54 108.899 -169.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 58.25 -152.86 28.4 Favored Glycine 0 C--O 1.266 2.144 0 CA-C-O 118.557 -1.135 . . . . 118.69 110.702 -157.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.85 131.19 35.2 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-N 118.18 0.99 . . . . 88.23 110.03 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.1 p -122.38 146.26 47.5 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 126.983 2.113 . . . . 70.59 110.956 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -118.04 119.56 35.13 Favored 'General case' 0 C--O 1.256 1.399 0 C-N-CA 125.14 1.376 . . . . 66.5 109.692 -170.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -131.57 124.85 30.87 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 116.883 -1.532 . . . . 65.87 108.611 -168.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 t -121.14 126.49 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 125.705 1.878 . . . . 58.2 110.219 -167.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.547 ' HB3' ' CD2' ' B' ' 130' ' ' PHE . 30.8 p30 -100.88 -175.76 2.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 119.384 -0.926 . . . . 61.49 109.532 -175.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pm0 -66.93 -16.45 64.34 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 125.948 2.03 . . . . 78.46 112.485 -170.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.2 m -99.95 8.88 43.74 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 120.126 1.33 . . . . 70.72 111.445 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.92 -7.99 79.45 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-O 116.719 -2.156 . . . . 65.55 112.053 -170.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 29.4 m -67.22 138.98 57.35 Favored 'General case' 0 C--O 1.28 2.7 0 CA-C-N 120.015 1.907 . . . . 56.59 109.867 -168.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.0 t -115.37 121.51 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 119.082 -0.485 . . . . 65.32 110.621 -175.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.24 121.72 41.91 Favored 'General case' 0 C--O 1.275 2.429 0 C-N-CA 125.016 1.326 . . . . 59.43 110.67 163.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -104.5 120.06 40.41 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.14 -1.059 . . . . 61.29 108.14 166.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -106.16 142.24 36.18 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-O 123.17 1.462 . . . . 58.03 110.498 -176.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 80.4 t -126.3 136.53 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 103.259 -2.867 . . . . 71.93 103.259 173.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -124.31 127.31 47.44 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 125.608 1.563 . . . . 55.36 109.608 -172.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' THR . . . . . 0.44 ' HA ' ' HD2' ' B' ' 34' ' ' PRO 0.263 14.2 p -131.28 125.14 20.74 Favored Pre-proline 0 C--N 1.313 -0.989 0 N-CA-C 105.0 -2.222 . . . . 68.79 105.0 177.731 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' B' ' 33' ' ' THR . 14.0 Cg_endo -49.5 138.0 31.81 Favored 'Trans proline' 0 C--O 1.198 -1.505 0 C-N-CA 120.981 1.121 . . . . 63.71 113.774 175.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 39.2 t -82.63 135.81 45.85 Favored Pre-proline 0 N--CA 1.482 1.127 0 N-CA-C 106.121 -1.807 . . . . 68.46 106.121 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -67.95 -29.02 34.97 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 N-CA-C 115.759 1.407 . . . . 89.38 115.759 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 70.6 p -107.41 -24.11 11.95 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 116.318 -1.801 . . . . 68.25 110.72 -169.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -112.34 103.18 55.25 Favored Pre-proline 0 N--CA 1.499 1.978 0 C-N-CA 124.898 1.279 . . . . 61.92 110.827 -163.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -66.78 146.49 78.61 Favored 'Trans proline' 0 CA--C 1.558 1.722 0 O-C-N 117.589 -1.848 . . . . 57.31 115.444 -172.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 47.02 35.63 3.51 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 126.036 1.734 . . . . 81.86 112.697 -167.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 37.1 m -121.23 133.19 55.15 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 125.126 1.37 . . . . 53.22 109.132 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' TYR . . . . . 0.401 ' CD1' ' HA ' ' B' ' 34' ' ' PRO . 98.7 m-85 -119.9 137.05 54.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.97 1.708 . . . . 72.03 106.422 178.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.07 124.36 23.56 Favored 'General case' 0 C--O 1.253 1.275 0 N-CA-C 105.757 -1.942 . . . . 88.52 105.757 159.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.89 131.26 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 O-C-N 126.33 2.269 . . . . 60.4 107.154 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 86.2 p -136.8 -173.65 3.5 Favored 'General case' 0 C--O 1.198 -1.656 0 N-CA-C 107.013 -1.477 . . . . 55.19 107.013 166.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 128.95 -152.07 19.28 Favored Glycine 0 C--O 1.277 2.8 0 N-CA-C 110.935 -0.866 . . . . 54.2 110.935 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -138.24 148.85 45.18 Favored 'General case' 0 C--O 1.284 2.91 0 O-C-N 125.296 1.233 . . . . 75.63 108.498 -169.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -126.85 128.46 46.55 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 125.993 2.058 . . . . 60.31 110.844 174.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.26 117.7 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 106.67 -1.604 . . . . 68.87 106.67 175.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -84.99 130.06 34.69 Favored 'General case' 0 C--O 1.266 1.963 0 N-CA-C 105.826 -1.916 . . . . 52.56 105.826 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' B' ' 202' ' ' HOH . 37.0 m-20 -135.69 29.53 3.2 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 118.326 0.512 . . . . 76.5 109.811 172.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.48 131.23 34.68 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 108.697 -0.853 . . . . 55.77 108.697 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -57.38 -48.42 79.12 Favored 'General case' 0 C--O 1.27 2.149 0 CA-C-O 117.26 -1.353 . . . . 67.87 112.663 -163.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.37 -17.49 61.92 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 116.272 1.269 . . . . 70.92 116.272 -173.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.7 p -105.32 167.47 9.72 Favored 'General case' 0 C--O 1.185 -2.29 0 O-C-N 121.396 -1.061 . . . . 66.16 111.982 -152.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.01 -174.36 40.91 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-O 116.721 -2.155 . . . . 50.05 109.375 164.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 95.7 m 60.75 47.89 7.57 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.823 1.649 . . . . 53.29 107.679 174.092 -66.034 85.48 112.772 109.573 2.236 101.957 91.899 -65.956 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -108.11 143.26 37.11 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 125.74 1.9 . . . . 54.78 107.825 -171.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.55 10.44 85.25 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 115.102 -3.055 . . . . 54.03 117.318 170.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 8.7 p -141.68 159.48 42.13 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 122.298 3.049 . . . . 66.36 110.374 -178.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 17.8 m -71.7 118.02 14.01 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 127.553 2.341 . . . . 139.33 110.402 -172.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -113.09 120.41 40.43 Favored Pre-proline 0 C--N 1.319 -0.721 0 C-N-CA 124.675 1.19 . . . . 51.02 108.353 164.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -52.14 134.65 50.69 Favored 'Trans proline' 0 C--O 1.268 2.022 0 C-N-CA 121.204 1.269 . . . . 50.89 113.936 169.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.519 ' C ' HD12 ' B' ' 64' ' ' LEU . 4.6 pp -112.84 149.89 32.46 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.15 -0.932 . . . . 62.26 108.736 172.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.21 132.21 41.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.168 1.787 . . . . 65.76 106.574 -178.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.54 -145.13 5.5 Favored Glycine 0 N--CA 1.463 0.44 0 C-N-CA 118.3 -1.905 . . . . 54.48 113.479 160.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.69 141.13 26.49 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 109.254 -0.647 . . . . 60.98 109.254 -172.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -123.45 128.29 49.61 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 126.205 2.19 . . . . 64.6 108.616 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.648 ' CE2' ' HA3' ' B' ' 71' ' ' GLY . 69.2 t80 -105.54 109.11 20.96 Favored 'General case' 0 C--O 1.256 1.417 0 N-CA-C 107.106 -1.442 . . . . 85.6 107.106 176.049 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' SER . . . . . 0.434 ' O ' ' C ' ' B' ' 71' ' ' GLY . 28.6 t -65.94 -46.87 76.62 Favored 'General case' 0 C--O 1.25 1.082 0 O-C-N 127.199 2.812 . . . . 88.98 109.073 -171.431 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.648 ' HA3' ' CE2' ' B' ' 69' ' ' TYR . . . -32.18 -60.04 0.36 Allowed Glycine 0 N--CA 1.465 0.579 0 O-C-N 125.524 1.765 . . . . 79.62 110.542 -173.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.426 ' OD1' HG13 ' B' ' 74' ' ' ILE . 56.5 p30 -120.42 24.25 10.45 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 118.536 1.168 . . . . 86.07 108.685 -174.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.627 ' HG2' ' HE1' ' B' ' 100' ' ' PHE . 15.6 mp0 53.79 51.82 14.2 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.909 1.683 . . . . 87.97 109.91 171.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.426 HG13 ' OD1' ' B' ' 72' ' ' ASN . 1.1 mt -102.22 155.89 4.88 Favored 'Isoleucine or valine' 0 C--O 1.261 1.671 0 O-C-N 124.881 1.363 . . . . 85.86 109.117 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 5.6 tt -151.53 159.2 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 124.719 1.262 . . . . 63.74 110.29 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 47.8 t -158.89 126.88 5.09 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 126.085 2.116 . . . . 49.64 107.105 174.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -150.69 160.42 43.85 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 125.043 1.464 . . . . 59.03 112.609 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.5 m -131.24 150.01 52.33 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 113.793 -1.549 . . . . 53.34 111.133 -167.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 t -136.92 124.59 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 103.153 -2.906 . . . . 48.12 103.153 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 10.5 t -92.75 120.58 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-O 116.612 -1.661 . . . . 52.12 107.004 164.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -78.91 61.62 3.17 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 126.419 2.324 . . . . 48.0 105.811 -168.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 11.7 t -145.07 119.99 9.97 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 113.049 -1.887 . . . . 47.41 110.918 173.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -150.3 -175.42 5.07 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 105.687 -1.968 . . . . 50.16 105.687 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.08 -18.48 63.27 Favored 'General case' 0 C--O 1.258 1.546 0 C-N-CA 123.786 0.834 . . . . 52.47 111.107 -172.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 13.2 p -92.57 -35.8 13.37 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 119.04 0.836 . . . . 59.37 110.129 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.51 147.53 7.53 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 119.851 1.205 . . . . 54.48 112.368 -168.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -129.93 127.12 39.46 Favored 'General case' 0 C--O 1.264 1.837 0 O-C-N 126.082 2.114 . . . . 55.83 108.523 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 96.4 m -119.02 7.13 11.34 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.946 1.404 . . . . 58.07 109.469 179.241 -65.956 91.899 112.772 101.957 2.236 109.573 85.48 -66.034 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 55.07 44.52 27.89 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.352 1.861 . . . . 66.75 108.59 164.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 p -156.94 170.86 21.54 Favored 'General case' 0 C--O 1.253 1.251 0 N-CA-C 107.213 -1.403 . . . . 58.82 107.213 -174.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.9 138.27 35.52 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.695 1.872 . . . . 54.66 109.359 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -116.3 139.74 50.07 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 115.722 -2.085 . . . . 52.62 110.386 171.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.43 127.56 7.43 Favored Glycine 0 CA--C 1.546 1.99 0 O-C-N 127.391 2.932 . . . . 66.17 115.977 163.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 20.1 m-90 -108.9 132.46 54.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 130.583 3.553 . . . . 66.61 105.851 -176.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -142.35 124.33 15.29 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 113.756 -3.021 . . . . 69.87 105.933 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.61 -163.87 30.6 Favored Glycine 0 N--CA 1.482 1.742 0 O-C-N 126.313 2.258 . . . . 65.93 113.145 -176.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -136.4 156.6 48.4 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 124.101 1.905 . . . . 92.98 113.758 -168.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' PHE . . . . . 0.506 ' HB2' ' HB3' ' B' ' 73' ' ' GLN . 52.0 m-85 -99.42 164.93 11.9 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 120.137 -1.602 . . . . 87.18 109.721 176.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -158.13 92.21 1.16 Allowed 'General case' 0 C--O 1.285 2.971 0 C-N-CA 129.743 3.217 . . . . 82.01 106.55 -178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' PHE . . . . . 0.627 ' HE1' ' HG2' ' B' ' 73' ' ' GLN . 58.7 m-85 -84.5 -4.49 58.98 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 124.634 1.174 . . . . 78.42 111.699 -173.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 84.3 p -61.15 144.17 54.13 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 125.405 1.691 . . . . 88.52 108.292 -170.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.01 -158.97 32.3 Favored Glycine 0 N--CA 1.469 0.872 0 O-C-N 124.216 0.947 . . . . 59.85 112.784 167.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 54.5 p -81.37 -15.27 55.76 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 116.443 -1.741 . . . . 66.3 108.591 -173.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -136.97 150.46 48.17 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 107.548 -1.279 . . . . 90.82 107.548 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.96 130.11 53.96 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 126.394 2.309 . . . . 63.82 107.529 -179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 90.0 t -129.46 137.7 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-N 119.555 1.07 . . . . 66.97 111.51 -173.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 7.7 tp -112.45 130.13 56.09 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.971 -1.122 . . . . 64.87 107.971 170.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -114.69 132.96 56.23 Favored 'General case' 0 C--O 1.27 2.176 0 O-C-N 124.957 1.411 . . . . 95.24 108.891 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 31.0 p -140.56 150.24 43.42 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 124.338 1.024 . . . . 66.38 112.588 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.4 129.05 48.77 Favored 'General case' 0 C--O 1.264 1.833 0 O-C-N 128.044 3.34 . . . . 94.16 106.189 168.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -123.49 153.82 40.0 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.564 -0.854 . . . . 82.01 110.647 -177.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -128.03 149.37 50.4 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 116.18 -1.867 . . . . 81.89 107.699 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 tp -141.69 116.07 9.52 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.48 1.036 . . . . 67.92 112.447 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -88.19 127.84 35.44 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 125.441 1.497 . . . . 63.27 107.728 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -156.57 172.49 18.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 125.061 1.476 . . . . 78.05 111.144 179.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -118.0 144.09 45.84 Favored 'General case' 0 C--O 1.261 1.702 0 C-N-CA 125.022 1.329 . . . . 88.82 110.321 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 66.2 m -101.18 -65.52 0.97 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 126.725 2.01 . . . . 86.47 109.449 171.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' GLY . . . . . 0.871 ' N ' ' OG1' ' B' ' 120' ' ' THR . . . -102.12 -139.6 10.65 Favored Glycine 0 N--CA 1.483 1.79 0 CA-C-O 116.584 -2.231 . . . . 103.18 109.272 169.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 28.3 t -71.98 30.0 0.05 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 119.859 1.829 . . . . 124.83 108.176 156.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' THR . . . . . 0.871 ' OG1' ' N ' ' B' ' 118' ' ' GLY . 16.8 p -113.89 84.37 8.56 Favored Pre-proline 0 N--CA 1.478 0.959 0 C-N-CA 128.21 2.604 . . . . 92.43 109.76 -160.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.63 154.69 70.97 Favored 'Trans proline' 0 C--O 1.18 -2.376 0 C-N-CA 121.286 1.324 . . . . 90.57 111.367 -175.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.56 148.73 12.76 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 124.97 1.308 . . . . 72.4 112.265 -167.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mt -126.5 98.24 4.69 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.15 0 CA-C-O 115.868 -2.015 . . . . 79.2 105.855 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.655 ' HG3' ' N ' ' B' ' 125' ' ' GLN . 6.7 tp-100 -65.93 -176.08 0.36 Allowed 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 116.239 -1.838 . . . . 92.6 107.172 170.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.655 ' N ' ' HG3' ' B' ' 124' ' ' GLN . 0.0 OUTLIER -162.55 173.2 14.3 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 117.544 -1.217 . . . . 99.27 109.349 173.02 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.53 -166.69 39.46 Favored Glycine 0 N--CA 1.477 1.402 0 CA-C-O 117.613 -1.659 . . . . 63.63 112.961 -174.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -145.39 134.85 23.17 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 125.717 1.607 . . . . 87.37 110.971 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -128.87 146.04 51.05 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 117.096 -1.43 . . . . 76.01 107.633 177.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.64 115.95 22.99 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 128.025 3.328 . . . . 75.18 110.718 177.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 51.3 m-85 -105.69 142.75 34.88 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 116.083 -1.913 . . . . 69.0 106.548 -175.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 25.9 ttm -117.22 140.13 49.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 126.318 2.261 . . . . 70.41 110.536 169.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -62.63 137.87 58.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.789 0.436 . . . . 74.58 110.971 172.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 2.6 m -141.74 116.91 10.04 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 107.576 -1.268 . . . . 85.7 107.576 172.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 71.6 t -78.06 139.15 19.02 Favored 'Isoleucine or valine' 0 C--O 1.272 2.28 0 N-CA-C 106.603 -1.629 . . . . 61.51 106.603 -176.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -29.17 118.06 0.12 Allowed 'General case' 0 C--O 1.28 2.679 0 O-C-N 126.313 2.258 . . . . 67.02 110.586 172.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' THR . . . . . . . . . . . . . 67.0 p -64.15 148.64 49.5 Favored 'General case' 0 C--O 1.274 2.377 0 N-CA-C 105.959 -1.867 . . . . 64.27 105.959 162.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 52.4 t -117.84 137.31 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 124.737 1.273 . . . . 62.39 108.77 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 72.3 m -125.32 146.9 49.36 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 125.362 1.664 . . . . 69.21 109.878 -178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -51.21 -47.23 62.35 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 106.373 -1.714 . . . . 99.39 106.373 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 20.3 p -152.74 178.32 9.76 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.001 -1.111 . . . . 63.36 108.001 -175.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.4 tp -64.34 -41.78 96.6 Favored 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 106.603 -1.629 . . . . 61.0 106.603 171.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.88 -36.58 80.5 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 116.522 -1.704 . . . . 69.43 111.564 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' B' ' 227' ' ' HOH . 66.8 p -149.86 135.72 18.61 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.652 1.114 . . . . 76.07 113.397 -167.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 N--CA 1.496 1.871 1 C-N-CA 132.239 4.215 . . . . 104.28 108.217 161.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.667 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . 0.637 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . 0.42 ' O ' ' HB2' ' A' ' 119' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.504 ' O ' ' ND2' ' B' ' 51' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . 0.589 ' O ' ' N ' ' B' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . 0.432 ' O ' ' HB ' ' B' ' 143' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_