data_6otx_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 6otx _Structure_validation_residue.Date_analyzed 2020-03-27 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.907 0.86 . . . . 82.94 111.767 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.5 p 67.46 -19.08 0.13 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.239 1.816 . . . . 77.14 111.38 -163.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.21 104.41 0.2 Allowed 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 123.087 0.555 . . . . 67.69 112.404 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.1 p -54.31 167.0 0.35 Allowed 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.262 1.029 . . . . 77.4 110.286 170.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.88 -40.53 63.99 Favored Pre-proline 0 C--O 1.244 0.777 0 C-N-CA 119.272 -0.971 . . . . 79.14 111.678 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -57.53 -42.74 57.81 Favored 'Trans proline' 0 C--O 1.239 0.572 0 CA-C-N 121.281 1.493 . . . . 73.0 113.474 172.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.12 -42.01 97.0 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.25 -0.58 . . . . 69.3 111.739 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -59.9 -42.21 93.34 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.846 -0.741 . . . . 74.03 111.026 174.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.44 94.1 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 120.325 -0.55 . . . . 66.16 110.672 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.31 89.16 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.645 -0.422 . . . . 71.99 111.509 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.4 mt -58.13 -41.65 81.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 120.287 -0.565 . . . . 67.92 110.255 174.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -69.77 -42.87 73.25 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.664 -0.647 . . . . 106.79 111.733 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 p -73.39 -33.5 65.04 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 118.009 -1.477 . . . . 71.38 112.896 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -69.87 -40.76 75.54 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.283 -1.367 . . . . 70.17 110.518 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -63.13 -36.56 84.01 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 120.313 -0.555 . . . . 66.25 111.511 174.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -64.21 -36.15 83.13 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.059 -0.656 . . . . 74.06 110.745 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -65.0 -47.99 75.54 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.286 -0.565 . . . . 99.02 110.531 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -48.87 -46.9 43.14 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.048 0.452 . . . . 72.04 111.148 171.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.1 mmm -73.68 -17.28 61.15 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 112.741 0.645 . . . . 72.15 112.741 -171.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -53.67 -28.02 30.9 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 118.222 0.465 . . . . 77.26 112.067 171.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -134.2 59.28 1.74 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.503 -0.925 . . . . 86.0 108.503 171.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.45 -48.47 84.79 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.391 -0.909 . . . . 71.77 113.043 -168.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.16 -42.73 91.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 119.798 -0.761 . . . . 94.03 110.498 -175.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -64.67 -48.38 74.95 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.594 -0.442 . . . . 88.72 110.962 174.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -64.5 -39.78 94.42 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.523 -0.471 . . . . 83.67 111.296 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.02 -55.93 27.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.59 -0.814 . . . . 83.39 112.415 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -68.57 -19.38 64.47 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 118.745 -1.182 . . . . 116.89 111.564 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.57 95.11 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.087 -1.054 . . . . 76.79 112.817 167.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -32.56 71.59 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 122.109 -0.642 . . . . 77.67 111.806 178.752 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -69.0 -44.92 71.83 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.052 -0.659 . . . . 90.55 111.597 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.5 mmm -52.52 -46.07 66.55 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.623 -0.831 . . . . 96.18 110.604 175.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -54.09 -60.57 3.15 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.147 0.499 . . . . 91.3 110.698 174.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -48.15 -53.72 15.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.093 -0.503 . . . . 89.13 111.257 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -63.52 -35.24 79.83 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.475 -0.49 . . . . 99.46 111.608 -177.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -70.36 -52.72 20.54 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.423 -0.511 . . . . 104.06 111.332 175.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.99 96.48 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 122.062 -0.399 . . . . 104.06 111.953 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -128.24 86.47 57.86 Favored Pre-proline 0 C--O 1.241 0.658 0 N-CA-C 109.632 -0.507 . . . . 98.91 109.632 -174.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -58.16 -28.93 85.71 Favored 'Trans proline' 0 C--O 1.237 0.445 0 N-CA-C 114.824 1.048 . . . . 102.72 114.824 -173.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -72.41 -23.81 61.15 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 119.504 -0.878 . . . . 137.36 112.477 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -61.05 -18.07 55.8 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 118.8 0.727 . . . . 95.21 111.545 173.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' CD1' ' NZ ' ' A' ' 45' ' ' LYS . 2.9 tm? -66.82 -29.76 69.78 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 111.492 0.182 . . . . 113.14 111.492 177.309 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 p -74.47 -36.42 2.55 Favored Pre-proline 0 C--O 1.238 0.488 0 N-CA-C 114.406 1.261 . . . . 99.84 114.406 -169.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -54.21 -16.35 9.59 Favored 'Trans proline' 0 C--N 1.373 1.818 0 CA-C-N 121.857 1.699 . . . . 85.52 113.508 168.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' PHE . 61.8 m-85 -94.67 10.96 32.92 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 112.954 0.724 . . . . 88.25 112.954 -175.527 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' NZ ' ' CD1' ' A' ' 41' ' ' LEU . 8.5 mmpt? -73.8 -26.29 60.55 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.501 -1.28 . . . . 123.57 112.014 -170.478 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -50.78 -55.75 15.31 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.61 -0.436 . . . . 90.65 110.195 164.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 tp -78.45 -54.72 5.87 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 121.903 -0.498 . . . . 96.51 112.199 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 44' ' ' PHE . 22.3 m-30 -102.29 13.87 33.49 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 113.652 0.982 . . . . 95.34 113.652 -168.852 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.48 -43.24 97.67 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 119.837 -1.173 . . . . 98.56 113.507 -167.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.42 13.75 65.67 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 116.006 1.162 . . . . 96.95 116.006 -174.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -121.68 134.95 54.97 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.747 1.273 . . . . 96.35 110.169 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 p -75.85 165.62 24.74 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.463 0.649 . . . . 97.32 109.695 171.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.96 -40.59 89.56 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.542 -0.863 . . . . 102.56 110.161 -177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.62 92.19 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.212 -0.449 . . . . 92.05 111.063 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -75.04 -17.55 60.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.188 -1.005 . . . . 91.27 111.905 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.9 -14.74 62.87 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.351 -0.939 . . . . 95.43 112.982 -174.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -82.02 126.14 31.62 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.024 0.829 . . . . 126.56 110.736 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 65.23 30.35 11.35 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.009 0.924 . . . . 131.13 111.71 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -92.75 137.86 23.9 Favored Pre-proline 0 C--O 1.24 0.567 0 C-N-CA 127.195 2.198 . . . . 92.35 109.313 166.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.26 -39.82 61.87 Favored 'Trans proline' 0 C--O 1.241 0.625 0 O-C-N 123.181 1.095 . . . . 83.5 114.283 -178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -65.64 -34.67 78.77 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.543 -0.463 . . . . 95.06 111.761 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.7 tpp -79.84 -34.13 39.67 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.265 0.469 . . . . 83.5 112.265 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -69.12 -34.59 75.29 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.067 -1.053 . . . . 110.5 110.725 172.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.86 86.81 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.831 -0.347 . . . . 75.52 110.985 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -61.59 -44.78 96.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.108 0.48 . . . . 74.77 111.043 177.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.4 t -61.16 -33.87 74.12 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.963 -0.695 . . . . 75.11 110.736 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.8 tp -70.87 -44.71 65.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.693 -0.803 . . . . 94.22 110.899 -177.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 m -71.09 -30.96 43.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 118.754 -1.178 . . . . 73.41 109.9 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.95 -35.88 81.6 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.718 -0.793 . . . . 72.41 110.977 173.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.7 m -75.46 -34.02 60.89 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.155 -1.018 . . . . 70.83 110.952 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -63.38 -45.2 92.22 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.109 -1.037 . . . . 104.7 110.581 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.05 -52.12 55.26 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 119.991 -1.1 . . . . 66.75 112.327 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 tpp -62.55 -44.1 97.18 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.566 -0.453 . . . . 85.61 111.645 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.7 m -55.63 -37.19 67.87 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 119.941 -0.704 . . . . 64.66 111.846 173.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 p -68.44 -34.98 76.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.048 -1.061 . . . . 64.98 110.306 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -63.35 -53.43 52.68 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 119.961 -0.696 . . . . 62.97 111.171 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.53 -38.19 74.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 120.932 0.396 . . . . 65.99 110.35 -173.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -71.01 -2.34 15.06 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.179 0.807 . . . . 89.94 113.179 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -129.86 34.8 4.23 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 119.295 0.952 . . . . 64.57 110.752 -176.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.28 -21.5 66.73 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.436 -0.802 . . . . 63.91 111.773 172.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -111.93 13.37 20.84 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.146 0.795 . . . . 73.58 113.146 174.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -131.21 76.42 1.72 Allowed 'General case' 0 C--N 1.346 0.444 0 N-CA-C 106.376 -1.713 . . . . 72.44 106.376 171.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.08 -36.21 80.98 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.181 -0.918 . . . . 85.02 112.101 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -56.53 -41.23 76.41 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.839 -0.744 . . . . 81.47 111.187 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.6 mtp -75.83 -42.12 50.6 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 118.639 -1.224 . . . . 73.44 110.274 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.31 -42.73 99.16 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.271 0.357 . . . . 69.3 110.839 -174.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.4 t -61.85 -37.2 77.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-O 120.765 0.317 . . . . 69.01 110.342 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.89 -51.58 59.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 O-C-N 121.567 -0.708 . . . . 70.09 110.558 175.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 62.6 mt -54.09 -38.6 65.52 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.095 0.474 . . . . 71.95 111.041 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.5 -42.56 90.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-O 121.539 0.685 . . . . 79.2 110.007 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -71.7 -33.6 68.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.526 -0.47 . . . . 82.08 111.778 -176.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . 0.661 ' NZ ' ' O1D' ' B' ' 500' ' ' HEM . 27.6 mtpp -58.45 -46.23 86.97 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.349 0.595 . . . . 69.28 110.485 171.193 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -65.77 -39.87 91.44 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.046 -0.662 . . . . 90.81 110.818 177.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.87 90.26 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.73 -0.388 . . . . 75.99 111.397 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -62.73 -56.98 12.7 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.593 -0.443 . . . . 83.39 110.42 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.1 mt -50.53 -34.88 27.05 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.739 0.304 . . . . 76.81 111.567 -178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -83.66 -43.68 15.32 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.154 -0.618 . . . . 86.96 112.121 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -53.3 -34.16 56.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.07 -0.652 . . . . 88.56 111.071 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.09 -38.94 90.76 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 118.778 -0.63 . . . . 133.27 111.853 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -72.53 -3.12 22.61 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 114.26 1.207 . . . . 95.02 114.26 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 5.69 79.8 Favored Glycine 0 C--N 1.334 0.465 0 CA-C-N 119.242 0.928 . . . . 91.58 114.015 -172.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.3 mt -82.55 108.1 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.891 -1.151 . . . . 101.0 107.891 -176.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -77.18 166.65 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.848 0.832 . . . . 139.34 110.584 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.32 -20.27 63.88 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.471 -0.786 . . . . 90.48 112.175 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 p -65.85 -44.17 86.24 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.119 -0.632 . . . . 103.05 110.923 169.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.14 -34.35 71.96 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 111.941 0.348 . . . . 104.32 111.941 174.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.89 -31.29 63.05 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 119.335 -0.946 . . . . 92.79 111.535 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -73.96 -41.82 61.41 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.686 -0.406 . . . . 128.09 111.346 -176.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -65.01 -28.93 69.84 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.813 -0.755 . . . . 105.59 111.433 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.97 -29.44 66.55 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.572 -0.451 . . . . 97.43 111.606 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -72.26 -40.06 67.92 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.418 -0.513 . . . . 92.86 110.667 174.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -54.7 -44.08 73.09 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.737 -0.385 . . . . 109.38 110.685 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mm -56.78 -52.02 59.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.538 0.685 . . . . 84.42 109.827 176.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.83 -36.96 82.7 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.997 -0.547 . . . . 69.4 111.743 -177.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.4 mt -69.88 -41.51 79.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.418 -0.513 . . . . 79.29 110.26 179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -68.89 -29.88 68.26 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.297 -1.361 . . . . 113.33 110.955 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -64.07 -51.69 62.88 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 119.414 -0.914 . . . . 82.12 110.612 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 82.8 mtp -59.97 -34.46 73.33 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.396 -0.365 . . . . 83.97 111.72 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -68.43 -47.23 67.76 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 121.289 -0.165 . . . . 111.71 110.915 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -26.31 68.75 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 122.008 -0.433 . . . . 124.13 112.13 178.702 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -101.94 10.51 39.65 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 112.473 0.545 . . . . 86.98 112.473 -174.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 35.8 m120 65.72 43.47 3.19 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.717 0.807 . . . . 89.61 111.6 169.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -95.64 -23.3 17.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.73 -0.668 . . . . 89.32 112.651 169.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.7 mmt -93.92 112.5 24.36 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.387 -0.597 . . . . 110.77 109.387 -176.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.39 130.31 71.89 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 N-CA-C 109.206 -0.665 . . . . 139.76 109.206 176.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 59.56 84.57 0.05 OUTLIER Glycine 0 C--N 1.339 0.733 0 C-N-CA 124.28 0.943 . . . . 104.29 115.394 169.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.41 -2.82 5.2 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-O 119.07 -0.85 . . . . 106.13 115.073 -178.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.12 93.52 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.523 1.162 . . . . 79.69 111.54 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -70.63 -42.65 70.6 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 118.824 -1.151 . . . . 96.07 111.109 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -54.32 -40.83 68.35 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.081 0.4 . . . . 83.81 112.081 173.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.95 -33.14 67.96 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.593 -0.843 . . . . 77.83 111.629 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -65.38 -34.67 78.85 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 111.856 0.317 . . . . 72.33 111.856 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.01 -43.49 71.24 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 120.316 -0.553 . . . . 119.54 110.586 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.51 -47.13 82.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.723 -0.473 . . . . 75.25 109.723 173.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -58.81 -40.28 83.66 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 116.349 -0.387 . . . . 78.62 111.48 178.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.95 -34.47 27.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.497 -0.481 . . . . 80.47 110.816 -171.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.35 -42.44 93.65 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 119.591 -1.29 . . . . 72.3 111.838 169.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.94 -48.57 78.35 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.163 -0.615 . . . . 72.14 111.284 -179.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 3.3 mt -51.28 -49.1 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.502 0.667 . . . . 82.65 109.804 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' CYS . . . . . . . . . . . . . 84.7 m -72.34 -32.81 66.82 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.004 -0.544 . . . . 91.37 112.226 -170.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' LYS . . . . . 0.441 ' NZ ' ' OD1' ' A' ' 145' ' ' ASP . 1.9 tptp -68.08 -42.75 79.9 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 116.949 -1.9 . . . . 123.11 110.391 171.947 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 51.1 m -54.84 -45.15 74.46 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.593 -0.443 . . . . 92.47 111.101 171.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.97 -40.72 98.56 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.495 -0.482 . . . . 101.05 111.489 177.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -73.59 -45.85 27.3 Favored Glycine 0 C--N 1.336 0.548 0 O-C-N 121.977 -0.452 . . . . 88.19 113.915 -165.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ASP . . . . . 0.441 ' OD1' ' NZ ' ' A' ' 141' ' ' LYS . 52.7 m-20 -46.43 -65.32 0.57 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.574 0.702 . . . . 108.78 111.029 166.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -54.04 -46.72 71.97 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.612 -0.722 . . . . 103.01 111.906 -173.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 8.4 mtt -72.18 -31.69 66.14 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.06 -1.056 . . . . 111.89 112.242 -170.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -64.23 -50.79 66.63 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.773 -0.771 . . . . 137.92 110.944 -173.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -90.89 75.45 6.41 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.755 1.264 . . . . 161.91 108.154 172.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.6 tp -140.72 178.19 7.51 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.959 -1.126 . . . . 134.45 107.959 174.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.465 0.319 0 CA-C-N 115.608 -0.724 . . . . 151.91 111.61 -175.707 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.704 -0.48 . . . . 108.65 109.704 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p -86.62 -8.32 57.58 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.032 0.753 . . . . 94.94 113.032 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.52 8.28 71.04 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.596 -0.812 . . . . 97.54 114.879 -168.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 mt -92.68 149.06 21.56 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 118.415 1.108 . . . . 95.07 111.125 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.1 p -90.91 162.72 14.65 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.336 -0.847 . . . . 99.48 110.215 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.09 -49.92 47.59 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.043 -0.981 . . . . 99.14 113.059 172.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.44 -43.59 56.83 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 CA-C-N 117.529 0.665 . . . . 98.47 113.679 170.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.37 -42.01 96.41 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.292 -0.563 . . . . 104.02 111.364 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.27 -43.98 80.47 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.387 -0.525 . . . . 95.45 111.168 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.58 70.87 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.541 -0.464 . . . . 101.84 111.351 174.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -45.2 65.65 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.835 -0.746 . . . . 107.91 111.506 -178.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.62 -43.16 99.38 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.067 -0.653 . . . . 104.49 111.085 178.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -63.6 -27.33 69.16 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.582 -0.447 . . . . 104.05 111.478 -177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.62 -39.79 13.0 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 121.207 -0.197 . . . . 119.97 111.327 -177.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.2 p -67.82 -41.22 83.4 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.528 -0.469 . . . . 97.18 111.597 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -58.39 -23.73 57.95 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 112.404 0.52 . . . . 77.55 112.404 175.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -61.9 -38.57 88.86 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.555 -0.458 . . . . 65.46 110.67 172.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -59.44 -46.51 88.54 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.987 -0.685 . . . . 107.65 111.317 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -60.18 -48.62 80.97 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 122.051 -0.405 . . . . 71.73 111.287 173.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 88.3 mmm -67.08 -20.08 65.75 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.844 0.683 . . . . 66.34 112.844 -174.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -60.64 -13.03 12.06 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.937 0.79 . . . . 78.95 112.995 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -151.6 58.39 0.87 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 105.741 -1.948 . . . . 74.13 105.741 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.09 60.1 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.625 -1.17 . . . . 70.3 111.613 -165.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.01 -48.45 87.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 119.398 -0.921 . . . . 65.1 109.845 -175.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -54.4 -43.88 71.84 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.54 -0.3 . . . . 72.66 111.048 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -78.44 -35.78 46.4 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.715 -1.194 . . . . 67.48 110.945 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.17 -44.43 94.87 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.022 -1.085 . . . . 75.05 112.642 171.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 75.6 p -64.32 -50.32 68.27 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.588 -0.845 . . . . 95.64 111.45 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -52.2 -32.44 36.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 120.956 -0.298 . . . . 77.77 111.519 174.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.06 -46.45 56.87 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 118.763 -1.175 . . . . 73.12 110.023 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' TYR . . . . . 0.534 ' OH ' ' O2 ' ' B' ' 501' ' ' OXY . 18.4 m-85 -60.22 -44.44 95.17 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.128 -0.629 . . . . 73.71 111.528 178.201 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 32.4 mmt -58.16 -39.97 80.2 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.599 -0.841 . . . . 88.0 110.998 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.53 -42.4 99.5 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.266 -0.574 . . . . 89.86 111.131 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.93 -47.64 76.99 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.916 0.389 . . . . 76.83 111.229 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -59.3 -35.46 73.82 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.205 -0.598 . . . . 75.5 111.281 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -72.82 -38.95 66.97 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.155 -0.341 . . . . 105.56 111.278 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.61 -34.34 21.42 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 121.82 -0.55 . . . . 81.2 111.861 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -128.44 77.92 76.47 Favored Pre-proline 0 C--O 1.245 0.859 0 N-CA-C 107.962 -1.125 . . . . 102.03 107.962 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -56.31 -25.84 58.79 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 120.623 0.882 . . . . 86.63 113.205 -177.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.26 -36.42 63.57 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.402 0.519 . . . . 112.91 112.402 174.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 56.4 p -63.03 -16.15 58.89 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.07 0.767 . . . . 81.96 113.07 -176.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.2 -21.0 66.7 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 118.794 -1.162 . . . . 83.35 112.139 176.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 96.9 m -65.13 -47.94 71.19 Favored Pre-proline 0 C--O 1.245 0.817 0 C-N-CA 119.419 -0.912 . . . . 86.54 112.662 -169.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -61.03 -27.44 84.63 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 CA-C-N 121.111 1.433 . . . . 84.68 114.758 177.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -81.43 15.58 1.98 Allowed 'General case' 0 C--O 1.242 0.71 0 N-CA-C 113.74 1.015 . . . . 79.43 113.74 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -77.38 -29.04 53.02 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 117.445 -1.702 . . . . 121.42 113.034 -176.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.1 t -63.12 -47.13 84.11 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.388 -0.925 . . . . 96.92 110.562 171.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.99 -51.45 69.2 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.955 0.407 . . . . 86.14 111.392 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -94.72 33.42 1.46 Allowed 'General case' 0 C--O 1.233 0.199 0 N-CA-C 113.656 0.984 . . . . 91.61 113.656 -168.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.48 -81.91 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.496 1.044 . . . . 151.31 112.064 -163.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.25 61.49 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 122.217 1.008 . . . . 160.92 109.904 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.06 -25.15 2.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 113.498 0.925 . . . . 128.8 113.498 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.1 p 60.34 -179.18 0.1 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 120.157 1.344 . . . . 119.95 111.842 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -94.9 -37.71 11.05 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.438 0.533 . . . . 129.9 112.438 -171.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASN . . . . . 0.562 ' O ' ' N ' ' B' ' 57' ' ' MET . 6.1 t30 -61.89 179.73 0.25 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 106.134 -1.802 . . . . 128.08 106.134 160.688 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 48.17 -7.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 116.444 2.016 . . . . 131.45 116.444 174.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' MET . . . . . 0.562 ' N ' ' O ' ' B' ' 55' ' ' ASN . 3.7 ttm -75.18 -51.92 12.2 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 118.788 0.722 . . . . 85.78 111.219 -176.347 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -43.75 142.33 1.3 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.702 -0.851 . . . . 92.06 108.702 157.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.86 2.84 0.57 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.484 0.92 . . . . 96.28 113.484 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -80.44 140.11 51.99 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 116.147 -2.221 . . . . 68.94 110.085 176.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -47.49 -45.72 22.28 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 121.063 1.175 . . . . 69.68 114.12 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -56.61 -39.14 73.08 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.622 -0.431 . . . . 77.17 110.952 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 10.5 tpp -83.18 -27.21 30.2 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 117.708 -1.597 . . . . 83.64 111.228 -176.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -67.15 -40.01 86.63 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.396 -0.815 . . . . 73.92 110.372 173.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.6 76.25 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.513 -0.475 . . . . 67.31 111.129 176.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLN . . . . . 0.436 ' OE1' ' NZ ' ' A' ' 92' ' ' LYS . 52.7 tp60 -73.55 -44.54 57.23 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 118.032 -1.467 . . . . 65.88 111.006 -177.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.27 -35.58 65.19 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.04 -0.664 . . . . 79.15 110.364 174.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 tp -65.46 -53.62 40.08 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.677 0.275 . . . . 66.18 111.459 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.94 -33.55 64.31 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 120.097 -0.641 . . . . 76.91 110.449 -176.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -60.1 -42.58 95.01 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.82 -0.352 . . . . 65.76 111.15 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.74 -39.74 88.06 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.684 -0.406 . . . . 67.96 111.473 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -63.68 -46.5 85.24 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.148 -0.621 . . . . 73.76 110.591 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -48.89 -52.35 21.58 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 120.281 -0.961 . . . . 61.98 112.129 174.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.5 mmm -70.05 -39.82 75.47 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 119.532 -0.867 . . . . 86.96 110.993 -179.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.4 m -60.54 -41.97 95.56 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.715 -0.394 . . . . 72.33 110.462 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 53.2 p -58.47 -36.72 74.15 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.68 -0.408 . . . . 79.85 111.347 175.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -69.58 -49.26 55.78 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 120.029 -0.669 . . . . 67.12 110.841 176.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.94 -39.82 86.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.061 0.458 . . . . 71.65 110.594 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -67.72 -20.08 65.22 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 112.964 0.728 . . . . 89.58 112.964 -177.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -117.16 27.38 9.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 118.004 0.365 . . . . 84.46 111.881 -173.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.96 -23.0 67.21 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 112.584 0.587 . . . . 87.18 112.584 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -99.53 0.97 43.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.066 0.765 . . . . 111.33 113.066 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -121.17 90.9 3.41 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 106.988 -1.486 . . . . 115.19 106.988 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HIS . . . . . 0.528 ' NE2' ' OH ' ' B' ' 139' ' ' TYR . 50.5 t-80 -65.79 -45.94 80.54 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.469 -0.787 . . . . 113.45 111.933 -168.139 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -34.7 76.24 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.542 -0.463 . . . . 127.22 111.684 -170.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.38 -39.44 27.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 118.617 -1.233 . . . . 92.57 110.123 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 56.3 tp -48.32 -45.43 35.15 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.134 0.493 . . . . 74.06 110.543 176.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.7 -48.91 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.468 -0.333 . . . . 90.01 110.72 174.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 t -58.69 -40.01 78.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 121.937 -0.477 . . . . 79.96 110.265 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.1 mt -67.05 -51.81 49.96 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.539 -0.864 . . . . 74.85 111.334 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 95.9 mt -53.87 -35.65 61.79 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.624 -0.43 . . . . 78.69 110.444 177.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -80.7 -33.95 34.99 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.633 0.605 . . . . 91.35 112.633 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LYS . . . . . 0.728 ' NZ ' ' O1D' ' A' ' 500' ' ' HEM . 10.4 mtpp -55.43 -48.11 74.95 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 118.839 -1.144 . . . . 81.0 110.089 169.676 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 10.1 ttt -64.32 -44.51 91.35 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.929 -0.708 . . . . 85.72 111.308 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.36 83.98 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.528 -0.869 . . . . 82.11 111.091 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -63.98 -36.94 85.6 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.393 -0.523 . . . . 84.16 111.072 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.75 -45.8 70.51 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.657 -0.417 . . . . 84.87 111.382 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -73.18 -35.42 66.4 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.369 -0.533 . . . . 87.44 111.477 -178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -57.08 -48.82 77.65 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 119.316 -0.954 . . . . 113.0 110.409 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -62.62 -17.04 59.53 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.234 0.457 . . . . 116.92 112.234 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -87.16 -0.89 57.41 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 113.038 0.755 . . . . 93.04 113.038 173.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.36 -12.57 64.98 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-O 118.739 -1.034 . . . . 99.28 114.762 -177.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.32 145.3 13.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 CA-C-N 118.685 1.242 . . . . 81.75 109.598 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 -121.22 170.8 9.23 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.879 0.871 . . . . 104.78 108.929 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 5.9 tp -58.57 -33.06 47.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 115.487 -0.779 . . . . 111.38 111.242 -173.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -42.3 77.99 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.111 -0.636 . . . . 112.81 110.907 179.122 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.76 -39.71 69.8 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.32 -0.952 . . . . 110.63 111.011 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.91 -51.1 68.28 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.651 -0.819 . . . . 89.07 110.494 177.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -54.83 -38.54 67.53 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.4 -0.52 . . . . 117.74 111.205 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -63.64 -49.64 72.45 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 120.143 -0.623 . . . . 97.48 110.961 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.08 -42.02 70.6 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 120.397 -0.906 . . . . 69.03 112.24 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.73 -40.48 92.2 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.227 -0.589 . . . . 70.29 110.85 -179.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.57 -46.1 66.43 Favored Glycine 0 C--N 1.342 0.897 0 C-N-CA 119.979 -1.105 . . . . 73.19 112.033 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.63 -45.58 97.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 O-C-N 122.205 -0.585 . . . . 81.5 111.11 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.31 -44.21 95.64 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.076 -0.65 . . . . 74.24 110.775 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.14 -44.31 97.53 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.702 0.287 . . . . 99.0 111.38 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -65.84 -34.96 79.34 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 118.354 -1.338 . . . . 149.55 111.058 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.42 -44.7 90.4 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.008 -0.677 . . . . 81.17 111.423 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.82 -33.42 70.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 119.286 -0.965 . . . . 95.62 111.534 172.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.06 -40.71 71.49 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 118.851 -1.14 . . . . 119.08 111.256 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -69.8 -39.49 76.54 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 111.712 0.264 . . . . 104.1 111.712 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -118.14 -46.42 2.61 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.324 0.861 . . . . 108.83 113.324 -167.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 54.3 m -91.48 20.51 5.26 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.641 0.608 . . . . 100.56 112.641 -174.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 61.97 16.01 7.74 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.72 1.208 . . . . 137.76 113.963 165.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.3 p -64.76 125.97 22.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 O-C-N 121.125 -0.984 . . . . 117.38 108.638 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -171.41 165.88 7.0 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.135 -0.691 . . . . 159.21 109.135 -176.346 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 79.84 -134.79 14.06 Favored Glycine 0 CA--C 1.505 -0.562 0 N-CA-C 110.32 -1.112 . . . . 132.13 110.32 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 2.4 p -90.04 1.51 56.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.889 0.699 . . . . 135.26 112.889 173.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 1.4 t -89.94 -18.32 26.3 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 118.797 0.726 . . . . 124.32 111.551 167.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.47 -38.09 65.55 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.545 -0.462 . . . . 144.98 110.254 160.855 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.42 -43.06 83.48 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 121.082 -0.247 . . . . 121.81 111.187 173.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.9 86.93 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.555 -0.458 . . . . 90.68 111.231 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -70.35 -41.74 72.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.636 -0.826 . . . . 83.27 111.08 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -52.1 -53.9 36.98 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.463 -0.495 . . . . 149.15 111.534 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -62.02 -45.2 94.62 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.102 0.477 . . . . 103.75 110.868 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.59 -54.07 25.57 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.947 0.499 . . . . 89.21 111.498 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.81 -47.33 93.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.297 -0.561 . . . . 84.82 110.905 -177.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.34 -43.45 54.09 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.379 -0.529 . . . . 85.02 111.508 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' TYR . . . . . 0.528 ' OH ' ' NE2' ' B' ' 84' ' ' HIS . 80.5 t80 -64.74 -48.85 73.06 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.796 -0.762 . . . . 98.3 111.034 177.038 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' ILE . . . . . . . . . . . . . 86.7 mt -54.46 -40.31 48.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 CA-C-O 121.323 0.582 . . . . 75.7 110.785 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 145' ' ' GLY . 63.8 m -75.49 -35.19 60.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.151 -0.62 . . . . 92.22 111.176 -173.379 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -74.23 -33.92 63.5 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 118.066 -1.454 . . . . 130.26 110.741 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.12 -52.65 53.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 120.176 -0.609 . . . . 87.3 110.148 173.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -68.91 -38.36 79.54 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.913 -0.715 . . . . 93.71 111.303 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 141' ' ' CYS . . . -61.44 -50.48 66.21 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 119.818 -1.182 . . . . 93.5 112.729 178.759 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -60.38 -38.48 84.07 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.341 -0.506 . . . . 110.03 110.652 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' PHE . . . . . 0.543 ' CD1' ' OE1' ' B' ' 150' ' ' GLU . 92.9 t80 -82.62 14.72 2.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.318 0.858 . . . . 129.88 113.318 -179.037 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' MET . . . . . . . . . . . . . 5.5 mtm -126.03 -12.95 6.36 Favored 'General case' 0 CA--C 1.52 -0.204 0 O-C-N 119.616 -1.927 . . . . 118.38 114.926 163.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -68.33 -14.54 63.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 119.306 0.957 . . . . 145.58 111.775 162.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' GLU . . . . . 0.71 ' OE2' ' CZ ' ' B' ' 151' ' ' ARG . 4.4 pt-20 -37.4 -60.69 0.65 Allowed 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.886 0.874 . . . . 201.81 112.965 169.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' ARG . . . . . 0.71 ' CZ ' ' OE2' ' B' ' 150' ' ' GLU . 0.9 OUTLIER -116.51 108.5 16.07 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 106.578 -1.638 . . . . 173.64 106.578 -177.88 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 C--O 1.236 0.386 0 N-CA-C 107.226 -1.398 . . . . 160.6 107.226 -176.765 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' HEM . . . . . 0.728 ' O1D' ' NZ ' ' B' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' OXY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 500' ' ' HEM . . . . . 0.661 ' O1D' ' NZ ' ' A' ' 92' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' OXY . . . . . 0.534 ' O2 ' ' OH ' ' B' ' 31' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.907 0.86 . . . . 82.94 111.767 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.5 p 67.46 -19.08 0.13 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.239 1.816 . . . . 77.14 111.38 -163.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 1' ' ' THR . 73.1 mt -58.21 104.41 0.2 Allowed 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 123.087 0.555 . . . . 67.69 112.404 175.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.1 p -54.31 167.0 0.35 Allowed 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.262 1.029 . . . . 77.4 110.286 170.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.88 -40.53 63.99 Favored Pre-proline 0 C--O 1.244 0.777 0 C-N-CA 119.272 -0.971 . . . . 79.14 111.678 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -57.53 -42.74 57.81 Favored 'Trans proline' 0 C--O 1.239 0.572 0 CA-C-N 121.281 1.493 . . . . 73.0 113.474 172.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.12 -42.01 97.0 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.25 -0.58 . . . . 69.3 111.739 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 74.5 mttt -59.9 -42.21 93.34 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.846 -0.741 . . . . 74.03 111.026 174.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.44 94.1 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 120.325 -0.55 . . . . 66.16 110.672 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.31 89.16 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.645 -0.422 . . . . 71.99 111.509 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.4 mt -58.13 -41.65 81.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 120.287 -0.565 . . . . 67.92 110.255 174.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -69.77 -42.87 73.25 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.664 -0.647 . . . . 106.79 111.733 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 p -73.39 -33.5 65.04 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 118.009 -1.477 . . . . 71.38 112.896 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -69.87 -40.76 75.54 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.283 -1.367 . . . . 70.17 110.518 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -63.13 -36.56 84.01 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 120.313 -0.555 . . . . 66.25 111.511 174.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -64.21 -36.15 83.13 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.059 -0.656 . . . . 74.06 110.745 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -65.0 -47.99 75.54 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.286 -0.565 . . . . 99.02 110.531 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 43.5 t80 -48.87 -46.9 43.14 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.048 0.452 . . . . 72.04 111.148 171.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.1 mmm -73.68 -17.28 61.15 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 112.741 0.645 . . . . 72.15 112.741 -171.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -53.67 -28.02 30.9 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 118.222 0.465 . . . . 77.26 112.067 171.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -134.2 59.28 1.74 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.503 -0.925 . . . . 86.0 108.503 171.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.45 -48.47 84.79 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.391 -0.909 . . . . 71.77 113.043 -168.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.16 -42.73 91.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 119.798 -0.761 . . . . 94.03 110.498 -175.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -64.67 -48.38 74.95 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.594 -0.442 . . . . 88.72 110.962 174.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 56.4 m-20 -64.5 -39.78 94.42 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.523 -0.471 . . . . 83.67 111.296 -178.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.02 -55.93 27.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.59 -0.814 . . . . 83.39 112.415 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 31' ' ' MET . 12.4 pt20 -68.57 -19.38 64.47 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 118.745 -1.182 . . . . 116.89 111.564 178.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.57 95.11 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.087 -1.054 . . . . 76.79 112.817 167.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -32.56 71.59 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 122.109 -0.642 . . . . 77.67 111.806 178.752 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -69.0 -44.92 71.83 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.052 -0.659 . . . . 90.55 111.597 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 57.5 mmm -52.52 -46.07 66.55 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.623 -0.831 . . . . 96.18 110.604 175.164 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -54.09 -60.57 3.15 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.147 0.499 . . . . 91.3 110.698 174.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -48.15 -53.72 15.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.093 -0.503 . . . . 89.13 111.257 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -63.52 -35.24 79.83 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.475 -0.49 . . . . 99.46 111.608 -177.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -70.36 -52.72 20.54 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.423 -0.511 . . . . 104.06 111.332 175.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.99 96.48 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 122.062 -0.399 . . . . 104.06 111.953 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -128.24 86.47 57.86 Favored Pre-proline 0 C--O 1.241 0.658 0 N-CA-C 109.632 -0.507 . . . . 98.91 109.632 -174.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -58.16 -28.93 85.71 Favored 'Trans proline' 0 C--O 1.237 0.445 0 N-CA-C 114.824 1.048 . . . . 102.72 114.824 -173.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -72.41 -23.81 61.15 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 119.504 -0.878 . . . . 137.36 112.477 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -61.05 -18.07 55.8 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 118.8 0.727 . . . . 95.21 111.545 173.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.938 HD13 ' HE3' ' A' ' 45' ' ' LYS . 2.9 tm? -66.82 -29.76 69.78 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 111.492 0.182 . . . . 113.14 111.492 177.309 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 9.0 p -74.47 -36.42 2.55 Favored Pre-proline 0 C--O 1.238 0.488 0 N-CA-C 114.406 1.261 . . . . 99.84 114.406 -169.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -54.21 -16.35 9.59 Favored 'Trans proline' 0 C--N 1.373 1.818 0 CA-C-N 121.857 1.699 . . . . 85.52 113.508 168.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -94.67 10.96 32.92 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 112.954 0.724 . . . . 88.25 112.954 -175.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.938 ' HE3' HD13 ' A' ' 41' ' ' LEU . 8.5 mmpt? -73.8 -26.29 60.55 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.501 -1.28 . . . . 123.57 112.014 -170.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -50.78 -55.75 15.31 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.61 -0.436 . . . . 90.65 110.195 164.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 tp -78.45 -54.72 5.87 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 121.903 -0.498 . . . . 96.51 112.199 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -102.29 13.87 33.49 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 113.652 0.982 . . . . 95.34 113.652 -168.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' HA2' ' HD3' ' A' ' 45' ' ' LYS . . . -59.48 -43.24 97.67 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 119.837 -1.173 . . . . 98.56 113.507 -167.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.42 13.75 65.67 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 116.006 1.162 . . . . 96.95 116.006 -174.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -121.68 134.95 54.97 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.747 1.273 . . . . 96.35 110.169 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 p -75.85 165.62 24.74 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.463 0.649 . . . . 97.32 109.695 171.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.96 -40.59 89.56 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.542 -0.863 . . . . 102.56 110.161 -177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.62 92.19 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.212 -0.449 . . . . 92.05 111.063 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -75.04 -17.55 60.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.188 -1.005 . . . . 91.27 111.905 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.9 -14.74 62.87 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.351 -0.939 . . . . 95.43 112.982 -174.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -82.02 126.14 31.62 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.024 0.829 . . . . 126.56 110.736 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 65.23 30.35 11.35 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.009 0.924 . . . . 131.13 111.71 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -92.75 137.86 23.9 Favored Pre-proline 0 C--O 1.24 0.567 0 C-N-CA 127.195 2.198 . . . . 92.35 109.313 166.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.26 -39.82 61.87 Favored 'Trans proline' 0 C--O 1.241 0.625 0 O-C-N 123.181 1.095 . . . . 83.5 114.283 -178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -65.64 -34.67 78.77 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.543 -0.463 . . . . 95.06 111.761 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.7 tpp -79.84 -34.13 39.67 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.265 0.469 . . . . 83.5 112.265 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -69.12 -34.59 75.29 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.067 -1.053 . . . . 110.5 110.725 172.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.86 86.81 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.831 -0.347 . . . . 75.52 110.985 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -61.59 -44.78 96.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.108 0.48 . . . . 74.77 111.043 177.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.4 t -61.16 -33.87 74.12 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.963 -0.695 . . . . 75.11 110.736 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.8 tp -70.87 -44.71 65.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.693 -0.803 . . . . 94.22 110.899 -177.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 m -71.09 -30.96 43.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 118.754 -1.178 . . . . 73.41 109.9 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.95 -35.88 81.6 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.718 -0.793 . . . . 72.41 110.977 173.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.7 m -75.46 -34.02 60.89 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.155 -1.018 . . . . 70.83 110.952 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -63.38 -45.2 92.22 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.109 -1.037 . . . . 104.7 110.581 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.05 -52.12 55.26 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 119.991 -1.1 . . . . 66.75 112.327 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 tpp -62.55 -44.1 97.18 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.566 -0.453 . . . . 85.61 111.645 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.7 m -55.63 -37.19 67.87 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 119.941 -0.704 . . . . 64.66 111.846 173.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 p -68.44 -34.98 76.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.048 -1.061 . . . . 64.98 110.306 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -63.35 -53.43 52.68 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 119.961 -0.696 . . . . 62.97 111.171 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.53 -38.19 74.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 120.932 0.396 . . . . 65.99 110.35 -173.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -71.01 -2.34 15.06 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.179 0.807 . . . . 89.94 113.179 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -129.86 34.8 4.23 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 119.295 0.952 . . . . 64.57 110.752 -176.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 8' ' ' LYS . 59.5 mt -65.28 -21.5 66.73 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.436 -0.802 . . . . 63.91 111.773 172.753 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -111.93 13.37 20.84 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.146 0.795 . . . . 73.58 113.146 174.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -131.21 76.42 1.72 Allowed 'General case' 0 C--N 1.346 0.444 0 N-CA-C 106.376 -1.713 . . . . 72.44 106.376 171.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.08 -36.21 80.98 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.181 -0.918 . . . . 85.02 112.101 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -56.53 -41.23 76.41 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.839 -0.744 . . . . 81.47 111.187 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.6 mtp -75.83 -42.12 50.6 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 118.639 -1.224 . . . . 73.44 110.274 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.31 -42.73 99.16 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.271 0.357 . . . . 69.3 110.839 -174.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.4 t -61.85 -37.2 77.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-O 120.765 0.317 . . . . 69.01 110.342 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.89 -51.58 59.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 O-C-N 121.567 -0.708 . . . . 70.09 110.558 175.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 62.6 mt -54.09 -38.6 65.52 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.095 0.474 . . . . 71.95 111.041 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.5 -42.56 90.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-O 121.539 0.685 . . . . 79.2 110.007 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -71.7 -33.6 68.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.526 -0.47 . . . . 82.08 111.778 -176.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . 0.651 ' NZ ' ' O1D' ' B' ' 500' ' ' HEM . 27.6 mtpp -58.45 -46.23 86.97 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.349 0.595 . . . . 69.28 110.485 171.193 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -65.77 -39.87 91.44 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.046 -0.662 . . . . 90.81 110.818 177.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HB2' HD23 ' A' ' 143' ' ' LEU . . . -62.0 -38.87 90.26 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.73 -0.388 . . . . 75.99 111.397 179.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -62.73 -56.98 12.7 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.593 -0.443 . . . . 83.39 110.42 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.1 mt -50.53 -34.88 27.05 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.739 0.304 . . . . 76.81 111.567 -178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -83.66 -43.68 15.32 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.154 -0.618 . . . . 86.96 112.121 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -53.3 -34.16 56.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.07 -0.652 . . . . 88.56 111.071 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.09 -38.94 90.76 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 118.778 -0.63 . . . . 133.27 111.853 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . 0.487 ' HB2' HD12 ' A' ' 102' ' ' ILE . 13.5 mtt85 -72.53 -3.12 22.61 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 114.26 1.207 . . . . 95.02 114.26 179.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 5.69 79.8 Favored Glycine 0 C--N 1.334 0.465 0 CA-C-N 119.242 0.928 . . . . 91.58 114.015 -172.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 100' ' ' ARG . 24.3 mt -82.55 108.1 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.891 -1.151 . . . . 101.0 107.891 -176.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -77.18 166.65 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.848 0.832 . . . . 139.34 110.584 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.32 -20.27 63.88 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.471 -0.786 . . . . 90.48 112.175 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 p -65.85 -44.17 86.24 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.119 -0.632 . . . . 103.05 110.923 169.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.14 -34.35 71.96 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 111.941 0.348 . . . . 104.32 111.941 174.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.89 -31.29 63.05 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 119.335 -0.946 . . . . 92.79 111.535 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -73.96 -41.82 61.41 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.686 -0.406 . . . . 128.09 111.346 -176.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -65.01 -28.93 69.84 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.813 -0.755 . . . . 105.59 111.433 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . 0.419 ' HB2' HMC1 ' A' ' 500' ' ' HEM . . . -69.97 -29.44 66.55 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.572 -0.451 . . . . 97.43 111.606 175.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -72.26 -40.06 67.92 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.418 -0.513 . . . . 92.86 110.667 174.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -54.7 -44.08 73.09 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.737 -0.385 . . . . 109.38 110.685 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mm -56.78 -52.02 59.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.538 0.685 . . . . 84.42 109.827 176.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.83 -36.96 82.7 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.997 -0.547 . . . . 69.4 111.743 -177.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.4 mt -69.88 -41.51 79.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.418 -0.513 . . . . 79.29 110.26 179.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -68.89 -29.88 68.26 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.297 -1.361 . . . . 113.33 110.955 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -64.07 -51.69 62.88 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 119.414 -0.914 . . . . 82.12 110.612 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 82.8 mtp -59.97 -34.46 73.33 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.396 -0.365 . . . . 83.97 111.72 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -68.43 -47.23 67.76 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 121.289 -0.165 . . . . 111.71 110.915 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -26.31 68.75 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 122.008 -0.433 . . . . 124.13 112.13 178.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -101.94 10.51 39.65 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 112.473 0.545 . . . . 86.98 112.473 -174.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 615' ' ' HOH . 35.8 m120 65.72 43.47 3.19 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.717 0.807 . . . . 89.61 111.6 169.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -95.64 -23.3 17.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.73 -0.668 . . . . 89.32 112.651 169.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' MET . . . . . 0.488 ' HE3' ' HA ' ' A' ' 129' ' ' LYS . 2.7 mmt -93.92 112.5 24.36 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.387 -0.597 . . . . 110.77 109.387 -176.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.39 130.31 71.89 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 N-CA-C 109.206 -0.665 . . . . 139.76 109.206 176.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 59.56 84.57 0.05 OUTLIER Glycine 0 C--N 1.339 0.733 0 C-N-CA 124.28 0.943 . . . . 104.29 115.394 169.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.41 -2.82 5.2 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-O 119.07 -0.85 . . . . 106.13 115.073 -178.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.12 93.52 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.523 1.162 . . . . 79.69 111.54 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LYS . . . . . 0.488 ' HA ' ' HE3' ' A' ' 124' ' ' MET . 13.8 tttm -70.63 -42.65 70.6 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 118.824 -1.151 . . . . 96.07 111.109 -178.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -54.32 -40.83 68.35 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.081 0.4 . . . . 83.81 112.081 173.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.95 -33.14 67.96 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.593 -0.843 . . . . 77.83 111.629 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -65.38 -34.67 78.85 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 111.856 0.317 . . . . 72.33 111.856 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.01 -43.49 71.24 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 120.316 -0.553 . . . . 119.54 110.586 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.51 -47.13 82.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.723 -0.473 . . . . 75.25 109.723 173.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -58.81 -40.28 83.66 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 116.349 -0.387 . . . . 78.62 111.48 178.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.95 -34.47 27.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.497 -0.481 . . . . 80.47 110.816 -171.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.35 -42.44 93.65 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 119.591 -1.29 . . . . 72.3 111.838 169.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.94 -48.57 78.35 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.163 -0.615 . . . . 72.14 111.284 -179.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 143' ' ' LEU . 3.3 mt -51.28 -49.1 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.502 0.667 . . . . 82.65 109.804 174.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' CYS . . . . . 0.679 ' HA ' HD12 ' A' ' 143' ' ' LEU . 84.7 m -72.34 -32.81 66.82 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.004 -0.544 . . . . 91.37 112.226 -170.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 141' ' ' LYS . 1.9 tptp -68.08 -42.75 79.9 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 116.949 -1.9 . . . . 123.11 110.391 171.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 51.1 m -54.84 -45.15 74.46 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.593 -0.443 . . . . 92.47 111.101 171.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 140' ' ' CYS . 12.7 mt -62.97 -40.72 98.56 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.495 -0.482 . . . . 101.05 111.489 177.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -73.59 -45.85 27.3 Favored Glycine 0 C--N 1.336 0.548 0 O-C-N 121.977 -0.452 . . . . 88.19 113.915 -165.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -46.43 -65.32 0.57 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.574 0.702 . . . . 108.78 111.029 166.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -54.04 -46.72 71.97 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.612 -0.722 . . . . 103.01 111.906 -173.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 8.4 mtt -72.18 -31.69 66.14 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.06 -1.056 . . . . 111.89 112.242 -170.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -64.23 -50.79 66.63 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.773 -0.771 . . . . 137.92 110.944 -173.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -90.89 75.45 6.41 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.755 1.264 . . . . 161.91 108.154 172.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.6 tp -140.72 178.19 7.51 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.959 -1.126 . . . . 134.45 107.959 174.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.465 0.319 0 CA-C-N 115.608 -0.724 . . . . 151.91 111.61 -175.707 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.704 -0.48 . . . . 108.65 109.704 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p -86.62 -8.32 57.58 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.032 0.753 . . . . 94.94 113.032 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.52 8.28 71.04 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.596 -0.812 . . . . 97.54 114.879 -168.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 mt -92.68 149.06 21.56 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 118.415 1.108 . . . . 95.07 111.125 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.1 p -90.91 162.72 14.65 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.336 -0.847 . . . . 99.48 110.215 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.09 -49.92 47.59 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.043 -0.981 . . . . 99.14 113.059 172.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.44 -43.59 56.83 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 CA-C-N 117.529 0.665 . . . . 98.47 113.679 170.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.37 -42.01 96.41 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.292 -0.563 . . . . 104.02 111.364 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.27 -43.98 80.47 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.387 -0.525 . . . . 95.45 111.168 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.58 70.87 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.541 -0.464 . . . . 101.84 111.351 174.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -45.2 65.65 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.835 -0.746 . . . . 107.91 111.506 -178.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.62 -43.16 99.38 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.067 -0.653 . . . . 104.49 111.085 178.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -63.6 -27.33 69.16 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.582 -0.447 . . . . 104.05 111.478 -177.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' B' ' 17' ' ' SER . 1.0 OUTLIER -89.62 -39.79 13.0 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 121.207 -0.197 . . . . 119.97 111.327 -177.621 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.2 p -67.82 -41.22 83.4 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.528 -0.469 . . . . 97.18 111.597 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -58.39 -23.73 57.95 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 112.404 0.52 . . . . 77.55 112.404 175.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' B' ' 14' ' ' SER . 1.6 t -61.9 -38.57 88.86 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.555 -0.458 . . . . 65.46 110.67 172.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -59.44 -46.51 88.54 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.987 -0.685 . . . . 107.65 111.317 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' B' ' 26' ' ' ASN . 36.8 t80 -60.18 -48.62 80.97 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 122.051 -0.405 . . . . 71.73 111.287 173.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 88.3 mmm -67.08 -20.08 65.75 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.844 0.683 . . . . 66.34 112.844 -174.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -60.64 -13.03 12.06 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.937 0.79 . . . . 78.95 112.995 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -151.6 58.39 0.87 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 105.741 -1.948 . . . . 74.13 105.741 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.09 60.1 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.625 -1.17 . . . . 70.3 111.613 -165.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.01 -48.45 87.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 119.398 -0.921 . . . . 65.1 109.845 -175.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -54.4 -43.88 71.84 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.54 -0.3 . . . . 72.66 111.048 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' B' ' 19' ' ' PHE . 87.7 m-20 -78.44 -35.78 46.4 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.715 -1.194 . . . . 67.48 110.945 -175.513 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.17 -44.43 94.87 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.022 -1.085 . . . . 75.05 112.642 171.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . 0.649 HG21 ' O ' ' B' ' 613' ' ' HOH . 75.6 p -64.32 -50.32 68.27 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.588 -0.845 . . . . 95.64 111.45 176.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASN . . . . . 0.503 ' HB3' ' CE2' ' B' ' 118' ' ' TYR . 20.6 m-20 -52.2 -32.44 36.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 120.956 -0.298 . . . . 77.77 111.519 174.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.06 -46.45 56.87 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 118.763 -1.175 . . . . 73.12 110.023 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' TYR . . . . . 0.414 ' OH ' ' O2 ' ' B' ' 501' ' ' OXY . 18.4 m-85 -60.22 -44.44 95.17 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.128 -0.629 . . . . 73.71 111.528 178.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 32.4 mmt -58.16 -39.97 80.2 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.599 -0.841 . . . . 88.0 110.998 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.53 -42.4 99.5 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.266 -0.574 . . . . 89.86 111.131 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.93 -47.64 76.99 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.916 0.389 . . . . 76.83 111.229 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -59.3 -35.46 73.82 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.205 -0.598 . . . . 75.5 111.281 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -72.82 -38.95 66.97 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.155 -0.341 . . . . 105.56 111.278 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.61 -34.34 21.42 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 121.82 -0.55 . . . . 81.2 111.861 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -128.44 77.92 76.47 Favored Pre-proline 0 C--O 1.245 0.859 0 N-CA-C 107.962 -1.125 . . . . 102.03 107.962 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -56.31 -25.84 58.79 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 120.623 0.882 . . . . 86.63 113.205 -177.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.26 -36.42 63.57 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.402 0.519 . . . . 112.91 112.402 174.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 56.4 p -63.03 -16.15 58.89 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.07 0.767 . . . . 81.96 113.07 -176.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.2 -21.0 66.7 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 118.794 -1.162 . . . . 83.35 112.139 176.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' THR . . . . . 0.431 ' HB ' ' HD3' ' B' ' 44' ' ' PRO . 96.9 m -65.13 -47.94 71.19 Favored Pre-proline 0 C--O 1.245 0.817 0 C-N-CA 119.419 -0.912 . . . . 86.54 112.662 -169.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HD3' ' HB ' ' B' ' 43' ' ' THR . 72.0 Cg_exo -61.03 -27.44 84.63 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 CA-C-N 121.111 1.433 . . . . 84.68 114.758 177.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -81.43 15.58 1.98 Allowed 'General case' 0 C--O 1.242 0.71 0 N-CA-C 113.74 1.015 . . . . 79.43 113.74 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HE3' ' B' ' 46' ' ' LYS . 5.5 mmmt -77.38 -29.04 53.02 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 117.445 -1.702 . . . . 121.42 113.034 -176.246 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.1 t -63.12 -47.13 84.11 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.388 -0.925 . . . . 96.92 110.562 171.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.99 -51.45 69.2 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.955 0.407 . . . . 86.14 111.392 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PHE . . . . . 0.618 ' HZ ' ' HE1' ' B' ' 63' ' ' MET . 13.8 m-85 -94.72 33.42 1.46 Allowed 'General case' 0 C--O 1.233 0.199 0 N-CA-C 113.656 0.984 . . . . 91.61 113.656 -168.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.48 -81.91 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.496 1.044 . . . . 151.31 112.064 -163.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.25 61.49 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 122.217 1.008 . . . . 160.92 109.904 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.06 -25.15 2.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 113.498 0.925 . . . . 128.8 113.498 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.1 p 60.34 -179.18 0.1 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 120.157 1.344 . . . . 119.95 111.842 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -94.9 -37.71 11.05 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.438 0.533 . . . . 129.9 112.438 -171.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASN . . . . . 0.562 ' O ' ' N ' ' B' ' 57' ' ' MET . 6.1 t30 -61.89 179.73 0.25 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 106.134 -1.802 . . . . 128.08 106.134 160.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' B' ' 60' ' ' HIS . 14.4 pt20 48.17 -7.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 116.444 2.016 . . . . 131.45 116.444 174.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' MET . . . . . 0.562 ' N ' ' O ' ' B' ' 55' ' ' ASN . 3.7 ttm -75.18 -51.92 12.2 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 118.788 0.722 . . . . 85.78 111.219 -176.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -43.75 142.33 1.3 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.702 -0.851 . . . . 92.06 108.702 157.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.86 2.84 0.57 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.484 0.92 . . . . 96.28 113.484 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 56' ' ' GLN . 58.0 t-80 -80.44 140.11 51.99 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 116.147 -2.221 . . . . 68.94 110.085 176.331 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -47.49 -45.72 22.28 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 121.063 1.175 . . . . 69.68 114.12 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -56.61 -39.14 73.08 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.622 -0.431 . . . . 77.17 110.952 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' MET . . . . . 0.618 ' HE1' ' HZ ' ' B' ' 49' ' ' PHE . 10.5 tpp -83.18 -27.21 30.2 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 117.708 -1.597 . . . . 83.64 111.228 -176.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -67.15 -40.01 86.63 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.396 -0.815 . . . . 73.92 110.372 173.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.6 76.25 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.513 -0.475 . . . . 67.31 111.129 176.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLN . . . . . 0.43 HE22 ' CHA' ' B' ' 500' ' ' HEM . 52.7 tp60 -73.55 -44.54 57.23 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 118.032 -1.467 . . . . 65.88 111.006 -177.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.27 -35.58 65.19 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.04 -0.664 . . . . 79.15 110.364 174.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 tp -65.46 -53.62 40.08 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.677 0.275 . . . . 66.18 111.459 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.94 -33.55 64.31 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 120.097 -0.641 . . . . 76.91 110.449 -176.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -60.1 -42.58 95.01 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.82 -0.352 . . . . 65.76 111.15 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.74 -39.74 88.06 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.684 -0.406 . . . . 67.96 111.473 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -63.68 -46.5 85.24 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.148 -0.621 . . . . 73.76 110.591 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -48.89 -52.35 21.58 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 120.281 -0.961 . . . . 61.98 112.129 174.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.5 mmm -70.05 -39.82 75.47 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 119.532 -0.867 . . . . 86.96 110.993 -179.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.4 m -60.54 -41.97 95.56 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.715 -0.394 . . . . 72.33 110.462 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 53.2 p -58.47 -36.72 74.15 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.68 -0.408 . . . . 79.85 111.347 175.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -69.58 -49.26 55.78 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 120.029 -0.669 . . . . 67.12 110.841 176.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.94 -39.82 86.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.061 0.458 . . . . 71.65 110.594 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -67.72 -20.08 65.22 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 112.964 0.728 . . . . 89.58 112.964 -177.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -117.16 27.38 9.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 118.004 0.365 . . . . 84.46 111.881 -173.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.96 -23.0 67.21 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 112.584 0.587 . . . . 87.18 112.584 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -99.53 0.97 43.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.066 0.765 . . . . 111.33 113.066 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -121.17 90.9 3.41 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 106.988 -1.486 . . . . 115.19 106.988 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HIS . . . . . 0.425 ' HD2' ' O ' ' B' ' 611' ' ' HOH . 50.5 t-80 -65.79 -45.94 80.54 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.469 -0.787 . . . . 113.45 111.933 -168.139 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLU . . . . . 0.468 ' O ' HG23 ' B' ' 89' ' ' VAL . 0.7 OUTLIER -61.71 -34.7 76.24 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.542 -0.463 . . . . 127.22 111.684 -170.989 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.38 -39.44 27.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 118.617 -1.233 . . . . 92.57 110.123 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 56.3 tp -48.32 -45.43 35.15 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.134 0.493 . . . . 74.06 110.543 176.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.7 -48.91 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.468 -0.333 . . . . 90.01 110.72 174.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 85' ' ' GLU . 13.5 t -58.69 -40.01 78.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 121.937 -0.477 . . . . 79.96 110.265 179.444 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.1 mt -67.05 -51.81 49.96 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.539 -0.864 . . . . 74.85 111.334 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LEU . . . . . 0.415 HD22 HG23 ' B' ' 140' ' ' ILE . 95.9 mt -53.87 -35.65 61.79 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.624 -0.43 . . . . 78.69 110.444 177.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -80.7 -33.95 34.99 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.633 0.605 . . . . 91.35 112.633 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LYS . . . . . 0.728 ' NZ ' ' O1D' ' A' ' 500' ' ' HEM . 10.4 mtpp -55.43 -48.11 74.95 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 118.839 -1.144 . . . . 81.0 110.089 169.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 10.1 ttt -64.32 -44.51 91.35 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.929 -0.708 . . . . 85.72 111.308 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ALA . . . . . 0.689 ' HB2' ' HG2' ' B' ' 144' ' ' GLN . . . -64.58 -36.36 83.98 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.528 -0.869 . . . . 82.11 111.091 -175.7 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -63.98 -36.94 85.6 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.393 -0.523 . . . . 84.16 111.072 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 97' ' ' LEU . 68.6 mt -68.75 -45.8 70.51 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.657 -0.417 . . . . 84.87 111.382 -179.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -73.18 -35.42 66.4 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.369 -0.533 . . . . 87.44 111.477 -178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' PHE . . . . . 0.436 ' CD1' ' HB3' ' B' ' 148' ' ' MET . 45.6 t80 -57.08 -48.82 77.65 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 119.316 -0.954 . . . . 113.0 110.409 175.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -62.62 -17.04 59.53 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.234 0.457 . . . . 116.92 112.234 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ARG . . . . . 0.703 ' HB2' HD12 ' B' ' 103' ' ' ILE . 64.7 mtt85 -87.16 -0.89 57.41 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 113.038 0.755 . . . . 93.04 113.038 173.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.36 -12.57 64.98 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-O 118.739 -1.034 . . . . 99.28 114.762 -177.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ILE . . . . . 0.703 HD12 ' HB2' ' B' ' 101' ' ' ARG . 3.4 mp -67.32 145.3 13.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 CA-C-N 118.685 1.242 . . . . 81.75 109.598 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 -121.22 170.8 9.23 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.879 0.871 . . . . 104.78 108.929 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 5.9 tp -58.57 -33.06 47.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 115.487 -0.779 . . . . 111.38 111.242 -173.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -42.3 77.99 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.111 -0.636 . . . . 112.81 110.907 179.122 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.76 -39.71 69.8 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.32 -0.952 . . . . 110.63 111.011 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.91 -51.1 68.28 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.651 -0.819 . . . . 89.07 110.494 177.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -54.83 -38.54 67.53 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.4 -0.52 . . . . 117.74 111.205 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -63.64 -49.64 72.45 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 120.143 -0.623 . . . . 97.48 110.961 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.08 -42.02 70.6 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 120.397 -0.906 . . . . 69.03 112.24 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.73 -40.48 92.2 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.227 -0.589 . . . . 70.29 110.85 -179.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.57 -46.1 66.43 Favored Glycine 0 C--N 1.342 0.897 0 C-N-CA 119.979 -1.105 . . . . 73.19 112.033 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.63 -45.58 97.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 O-C-N 122.205 -0.585 . . . . 81.5 111.11 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.31 -44.21 95.64 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.076 -0.65 . . . . 74.24 110.775 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.14 -44.31 97.53 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.702 0.287 . . . . 99.0 111.38 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -65.84 -34.96 79.34 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 118.354 -1.338 . . . . 149.55 111.058 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' B' ' 29' ' ' ASN . 44.6 t80 -64.42 -44.7 90.4 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.008 -0.677 . . . . 81.17 111.423 176.537 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.82 -33.42 70.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 119.286 -0.965 . . . . 95.62 111.534 172.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.06 -40.71 71.49 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 118.851 -1.14 . . . . 119.08 111.256 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -69.8 -39.49 76.54 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 111.712 0.264 . . . . 104.1 111.712 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -118.14 -46.42 2.61 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.324 0.861 . . . . 108.83 113.324 -167.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 54.3 m -91.48 20.51 5.26 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.641 0.608 . . . . 100.56 112.641 -174.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 61.97 16.01 7.74 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.72 1.208 . . . . 137.76 113.963 165.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' VAL . . . . . 0.477 HG23 HG23 ' B' ' 129' ' ' THR . 4.3 p -64.76 125.97 22.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 O-C-N 121.125 -0.984 . . . . 117.38 108.638 178.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLU . . . . . 0.548 ' O ' HG22 ' B' ' 129' ' ' THR . 0.8 OUTLIER -171.41 165.88 7.0 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.135 -0.691 . . . . 159.21 109.135 -176.346 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 79.84 -134.79 14.06 Favored Glycine 0 CA--C 1.505 -0.562 0 N-CA-C 110.32 -1.112 . . . . 132.13 110.32 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' B' ' 131' ' ' ASN . 2.4 p -90.04 1.51 56.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.889 0.699 . . . . 135.26 112.889 173.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 129' ' ' THR . . . . . 0.548 HG22 ' O ' ' B' ' 126' ' ' GLU . 1.4 t -89.94 -18.32 26.3 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 118.797 0.726 . . . . 124.32 111.551 167.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' B' ' 134' ' ' GLU . 0.7 OUTLIER -73.47 -38.09 65.55 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.545 -0.462 . . . . 144.98 110.254 160.855 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ASN . . . . . 0.478 ' HB2' ' HA ' ' B' ' 128' ' ' SER . 4.2 m-20 -57.42 -43.06 83.48 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 121.082 -0.247 . . . . 121.81 111.187 173.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.9 86.93 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.555 -0.458 . . . . 90.68 111.231 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' TRP . . . . . 0.475 ' CD1' HG21 ' B' ' 125' ' ' VAL . 66.0 m95 -70.35 -41.74 72.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.636 -0.826 . . . . 83.27 111.08 -176.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 134' ' ' GLU . . . . . 0.432 ' OE2' ' HA ' ' B' ' 131' ' ' ASN . 8.6 mt-10 -52.1 -53.9 36.98 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.463 -0.495 . . . . 149.15 111.534 174.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -62.02 -45.2 94.62 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.102 0.477 . . . . 103.75 110.868 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.59 -54.07 25.57 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.947 0.499 . . . . 89.21 111.498 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.81 -47.33 93.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.297 -0.561 . . . . 84.82 110.905 -177.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.34 -43.45 54.09 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.379 -0.529 . . . . 85.02 111.508 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' TYR . . . . . 0.408 ' OH ' ' NE2' ' B' ' 84' ' ' HIS . 80.5 t80 -64.74 -48.85 73.06 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.796 -0.762 . . . . 98.3 111.034 177.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' ILE . . . . . 0.415 HG23 HD22 ' B' ' 91' ' ' LEU . 86.7 mt -54.46 -40.31 48.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 CA-C-O 121.323 0.582 . . . . 75.7 110.785 178.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 141' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' B' ' 145' ' ' GLY . 63.8 m -75.49 -35.19 60.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.151 -0.62 . . . . 92.22 111.176 -173.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -74.23 -33.92 63.5 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 118.066 -1.454 . . . . 130.26 110.741 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.12 -52.65 53.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 120.176 -0.609 . . . . 87.3 110.148 173.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' GLN . . . . . 0.689 ' HG2' ' HB2' ' B' ' 95' ' ' ALA . 95.4 mt-30 -68.91 -38.36 79.54 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.913 -0.715 . . . . 93.71 111.303 177.365 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 145' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' B' ' 141' ' ' CYS . . . -61.44 -50.48 66.21 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 119.818 -1.182 . . . . 93.5 112.729 178.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -60.38 -38.48 84.07 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.341 -0.506 . . . . 110.03 110.652 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' PHE . . . . . 0.543 ' CD1' ' OE1' ' B' ' 150' ' ' GLU . 92.9 t80 -82.62 14.72 2.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.318 0.858 . . . . 129.88 113.318 -179.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 148' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' B' ' 144' ' ' GLN . 5.5 mtm -126.03 -12.95 6.36 Favored 'General case' 0 CA--C 1.52 -0.204 0 O-C-N 119.616 -1.927 . . . . 118.38 114.926 163.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -68.33 -14.54 63.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 119.306 0.957 . . . . 145.58 111.775 162.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' GLU . . . . . 0.71 ' OE2' ' CZ ' ' B' ' 151' ' ' ARG . 4.4 pt-20 -37.4 -60.69 0.65 Allowed 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.886 0.874 . . . . 201.81 112.965 169.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 151' ' ' ARG . . . . . 0.71 ' CZ ' ' OE2' ' B' ' 150' ' ' GLU . 0.9 OUTLIER -116.51 108.5 16.07 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 106.578 -1.638 . . . . 173.64 106.578 -177.88 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 C--O 1.236 0.386 0 N-CA-C 107.226 -1.398 . . . . 160.6 107.226 -176.765 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 500' ' ' HEM . . . . . 0.728 ' O1D' ' NZ ' ' B' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' OXY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 500' ' ' HEM . . . . . 0.651 ' O1D' ' NZ ' ' A' ' 92' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 501' ' ' OXY . . . . . 0.414 ' O2 ' ' OH ' ' B' ' 31' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . 0.558 ' O ' ' HA ' ' A' ' 122' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 611' ' ' HOH . . . . . 0.425 ' O ' ' HD2' ' B' ' 84' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 613' ' ' HOH . . . . . 0.649 ' O ' HG21 ' B' ' 28' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.907 0.86 . . . . 82.94 111.767 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.5 p 67.46 -19.08 0.13 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.239 1.816 . . . . 77.14 111.38 -163.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 1' ' ' THR . 73.1 mt -58.21 104.41 0.2 Allowed 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 123.087 0.555 . . . . 67.69 112.404 175.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.1 p -54.31 167.0 0.35 Allowed 'General case' 0 C--O 1.243 0.746 0 CA-C-O 122.262 1.029 . . . . 77.4 110.286 170.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.88 -40.53 63.99 Favored Pre-proline 0 C--O 1.244 0.777 0 C-N-CA 119.272 -0.971 . . . . 79.14 111.678 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -57.53 -42.74 57.81 Favored 'Trans proline' 0 C--O 1.239 0.572 0 CA-C-N 121.281 1.493 . . . . 73.0 113.474 172.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.12 -42.01 97.0 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.25 -0.58 . . . . 69.3 111.739 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 74.5 mttt -59.9 -42.21 93.34 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.846 -0.741 . . . . 74.03 111.026 174.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.44 94.1 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 120.325 -0.55 . . . . 66.16 110.672 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.31 89.16 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.645 -0.422 . . . . 71.99 111.509 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.4 mt -58.13 -41.65 81.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 120.287 -0.565 . . . . 67.92 110.255 174.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -69.77 -42.87 73.25 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.664 -0.647 . . . . 106.79 111.733 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 p -73.39 -33.5 65.04 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 118.009 -1.477 . . . . 71.38 112.896 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -69.87 -40.76 75.54 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.283 -1.367 . . . . 70.17 110.518 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -63.13 -36.56 84.01 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 120.313 -0.555 . . . . 66.25 111.511 174.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -64.21 -36.15 83.13 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.059 -0.656 . . . . 74.06 110.745 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -65.0 -47.99 75.54 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.286 -0.565 . . . . 99.02 110.531 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 43.5 t80 -48.87 -46.9 43.14 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.048 0.452 . . . . 72.04 111.148 171.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.1 mmm -73.68 -17.28 61.15 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 112.741 0.645 . . . . 72.15 112.741 -171.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -53.67 -28.02 30.9 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 118.222 0.465 . . . . 77.26 112.067 171.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -134.2 59.28 1.74 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.503 -0.925 . . . . 86.0 108.503 171.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.45 -48.47 84.79 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.391 -0.909 . . . . 71.77 113.043 -168.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.16 -42.73 91.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 119.798 -0.761 . . . . 94.03 110.498 -175.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -64.67 -48.38 74.95 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.594 -0.442 . . . . 88.72 110.962 174.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 56.4 m-20 -64.5 -39.78 94.42 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.523 -0.471 . . . . 83.67 111.296 -178.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.02 -55.93 27.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.59 -0.814 . . . . 83.39 112.415 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 31' ' ' MET . 12.4 pt20 -68.57 -19.38 64.47 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 118.745 -1.182 . . . . 116.89 111.564 178.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.57 95.11 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.087 -1.054 . . . . 76.79 112.817 167.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -32.56 71.59 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 122.109 -0.642 . . . . 77.67 111.806 178.752 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -69.0 -44.92 71.83 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.052 -0.659 . . . . 90.55 111.597 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 57.5 mmm -52.52 -46.07 66.55 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.623 -0.831 . . . . 96.18 110.604 175.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -54.09 -60.57 3.15 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.147 0.499 . . . . 91.3 110.698 174.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -48.15 -53.72 15.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.093 -0.503 . . . . 89.13 111.257 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -63.52 -35.24 79.83 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.475 -0.49 . . . . 99.46 111.608 -177.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -70.36 -52.72 20.54 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.423 -0.511 . . . . 104.06 111.332 175.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.99 96.48 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 122.062 -0.399 . . . . 104.06 111.953 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -128.24 86.47 57.86 Favored Pre-proline 0 C--O 1.241 0.658 0 N-CA-C 109.632 -0.507 . . . . 98.91 109.632 -174.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -58.16 -28.93 85.71 Favored 'Trans proline' 0 C--O 1.237 0.445 0 N-CA-C 114.824 1.048 . . . . 102.72 114.824 -173.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -72.41 -23.81 61.15 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 119.504 -0.878 . . . . 137.36 112.477 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -61.05 -18.07 55.8 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 118.8 0.727 . . . . 95.21 111.545 173.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.938 HD13 ' HE3' ' A' ' 45' ' ' LYS . 2.9 tm? -66.82 -29.76 69.78 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 111.492 0.182 . . . . 113.14 111.492 177.309 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 9.0 p -74.47 -36.42 2.55 Favored Pre-proline 0 C--O 1.238 0.488 0 N-CA-C 114.406 1.261 . . . . 99.84 114.406 -169.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -54.21 -16.35 9.59 Favored 'Trans proline' 0 C--N 1.373 1.818 0 CA-C-N 121.857 1.699 . . . . 85.52 113.508 168.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -94.67 10.96 32.92 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 112.954 0.724 . . . . 88.25 112.954 -175.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.938 ' HE3' HD13 ' A' ' 41' ' ' LEU . 8.5 mmpt? -73.8 -26.29 60.55 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.501 -1.28 . . . . 123.57 112.014 -170.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -50.78 -55.75 15.31 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.61 -0.436 . . . . 90.65 110.195 164.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 tp -78.45 -54.72 5.87 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 121.903 -0.498 . . . . 96.51 112.199 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -102.29 13.87 33.49 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 113.652 0.982 . . . . 95.34 113.652 -168.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' HA2' ' HD3' ' A' ' 45' ' ' LYS . . . -59.48 -43.24 97.67 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 119.837 -1.173 . . . . 98.56 113.507 -167.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.42 13.75 65.67 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 116.006 1.162 . . . . 96.95 116.006 -174.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -121.68 134.95 54.97 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.747 1.273 . . . . 96.35 110.169 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 p -75.85 165.62 24.74 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.463 0.649 . . . . 97.32 109.695 171.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.96 -40.59 89.56 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.542 -0.863 . . . . 102.56 110.161 -177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.62 92.19 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.212 -0.449 . . . . 92.05 111.063 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -75.04 -17.55 60.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.188 -1.005 . . . . 91.27 111.905 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.9 -14.74 62.87 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.351 -0.939 . . . . 95.43 112.982 -174.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -82.02 126.14 31.62 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.024 0.829 . . . . 126.56 110.736 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 65.23 30.35 11.35 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.009 0.924 . . . . 131.13 111.71 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -92.75 137.86 23.9 Favored Pre-proline 0 C--O 1.24 0.567 0 C-N-CA 127.195 2.198 . . . . 92.35 109.313 166.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.26 -39.82 61.87 Favored 'Trans proline' 0 C--O 1.241 0.625 0 O-C-N 123.181 1.095 . . . . 83.5 114.283 -178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -65.64 -34.67 78.77 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.543 -0.463 . . . . 95.06 111.761 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.7 tpp -79.84 -34.13 39.67 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.265 0.469 . . . . 83.5 112.265 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -69.12 -34.59 75.29 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.067 -1.053 . . . . 110.5 110.725 172.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.86 86.81 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.831 -0.347 . . . . 75.52 110.985 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -61.59 -44.78 96.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.108 0.48 . . . . 74.77 111.043 177.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.4 t -61.16 -33.87 74.12 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.963 -0.695 . . . . 75.11 110.736 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.8 tp -70.87 -44.71 65.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.693 -0.803 . . . . 94.22 110.899 -177.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 m -71.09 -30.96 43.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 118.754 -1.178 . . . . 73.41 109.9 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.95 -35.88 81.6 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.718 -0.793 . . . . 72.41 110.977 173.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.7 m -75.46 -34.02 60.89 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.155 -1.018 . . . . 70.83 110.952 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -63.38 -45.2 92.22 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.109 -1.037 . . . . 104.7 110.581 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.05 -52.12 55.26 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 119.991 -1.1 . . . . 66.75 112.327 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 tpp -62.55 -44.1 97.18 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.566 -0.453 . . . . 85.61 111.645 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.7 m -55.63 -37.19 67.87 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 119.941 -0.704 . . . . 64.66 111.846 173.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 p -68.44 -34.98 76.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.048 -1.061 . . . . 64.98 110.306 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -63.35 -53.43 52.68 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 119.961 -0.696 . . . . 62.97 111.171 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.53 -38.19 74.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 120.932 0.396 . . . . 65.99 110.35 -173.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -71.01 -2.34 15.06 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.179 0.807 . . . . 89.94 113.179 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -129.86 34.8 4.23 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 119.295 0.952 . . . . 64.57 110.752 -176.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 8' ' ' LYS . 59.5 mt -65.28 -21.5 66.73 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.436 -0.802 . . . . 63.91 111.773 172.753 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -111.93 13.37 20.84 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.146 0.795 . . . . 73.58 113.146 174.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -131.21 76.42 1.72 Allowed 'General case' 0 C--N 1.346 0.444 0 N-CA-C 106.376 -1.713 . . . . 72.44 106.376 171.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.08 -36.21 80.98 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.181 -0.918 . . . . 85.02 112.101 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -56.53 -41.23 76.41 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.839 -0.744 . . . . 81.47 111.187 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.6 mtp -75.83 -42.12 50.6 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 118.639 -1.224 . . . . 73.44 110.274 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.31 -42.73 99.16 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.271 0.357 . . . . 69.3 110.839 -174.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.4 t -61.85 -37.2 77.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-O 120.765 0.317 . . . . 69.01 110.342 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.89 -51.58 59.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 O-C-N 121.567 -0.708 . . . . 70.09 110.558 175.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 62.6 mt -54.09 -38.6 65.52 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.095 0.474 . . . . 71.95 111.041 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.5 -42.56 90.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-O 121.539 0.685 . . . . 79.2 110.007 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -71.7 -33.6 68.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.526 -0.47 . . . . 82.08 111.778 -176.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.651 ' NZ ' ' O1D' ' B' ' 500' ' ' HEM . 27.6 mtpp -58.45 -46.23 86.97 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.349 0.595 . . . . 69.28 110.485 171.193 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -65.77 -39.87 91.44 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.046 -0.662 . . . . 90.81 110.818 177.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HB2' HD23 ' A' ' 143' ' ' LEU . . . -62.0 -38.87 90.26 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.73 -0.388 . . . . 75.99 111.397 179.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -62.73 -56.98 12.7 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.593 -0.443 . . . . 83.39 110.42 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.1 mt -50.53 -34.88 27.05 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.739 0.304 . . . . 76.81 111.567 -178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -83.66 -43.68 15.32 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.154 -0.618 . . . . 86.96 112.121 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -53.3 -34.16 56.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.07 -0.652 . . . . 88.56 111.071 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.09 -38.94 90.76 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 118.778 -0.63 . . . . 133.27 111.853 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.487 ' HB2' HD12 ' A' ' 102' ' ' ILE . 13.5 mtt85 -72.53 -3.12 22.61 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 114.26 1.207 . . . . 95.02 114.26 179.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 5.69 79.8 Favored Glycine 0 C--N 1.334 0.465 0 CA-C-N 119.242 0.928 . . . . 91.58 114.015 -172.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 100' ' ' ARG . 24.3 mt -82.55 108.1 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.891 -1.151 . . . . 101.0 107.891 -176.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -77.18 166.65 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.848 0.832 . . . . 139.34 110.584 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.32 -20.27 63.88 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.471 -0.786 . . . . 90.48 112.175 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 p -65.85 -44.17 86.24 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.119 -0.632 . . . . 103.05 110.923 169.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.14 -34.35 71.96 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 111.941 0.348 . . . . 104.32 111.941 174.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.89 -31.29 63.05 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 119.335 -0.946 . . . . 92.79 111.535 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -73.96 -41.82 61.41 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.686 -0.406 . . . . 128.09 111.346 -176.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -65.01 -28.93 69.84 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.813 -0.755 . . . . 105.59 111.433 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.419 ' HB2' HMC1 ' A' ' 500' ' ' HEM . . . -69.97 -29.44 66.55 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.572 -0.451 . . . . 97.43 111.606 175.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -72.26 -40.06 67.92 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.418 -0.513 . . . . 92.86 110.667 174.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -54.7 -44.08 73.09 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.737 -0.385 . . . . 109.38 110.685 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mm -56.78 -52.02 59.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.538 0.685 . . . . 84.42 109.827 176.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.83 -36.96 82.7 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.997 -0.547 . . . . 69.4 111.743 -177.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.4 mt -69.88 -41.51 79.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.418 -0.513 . . . . 79.29 110.26 179.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -68.89 -29.88 68.26 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.297 -1.361 . . . . 113.33 110.955 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -64.07 -51.69 62.88 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 119.414 -0.914 . . . . 82.12 110.612 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 82.8 mtp -59.97 -34.46 73.33 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.396 -0.365 . . . . 83.97 111.72 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -68.43 -47.23 67.76 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 121.289 -0.165 . . . . 111.71 110.915 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -26.31 68.75 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 122.008 -0.433 . . . . 124.13 112.13 178.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -101.94 10.51 39.65 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 112.473 0.545 . . . . 86.98 112.473 -174.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 615' ' ' HOH . 35.8 m120 65.72 43.47 3.19 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.717 0.807 . . . . 89.61 111.6 169.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -95.64 -23.3 17.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.73 -0.668 . . . . 89.32 112.651 169.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' MET . . . . . 0.488 ' HE3' ' HA ' ' A' ' 129' ' ' LYS . 2.7 mmt -93.92 112.5 24.36 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.387 -0.597 . . . . 110.77 109.387 -176.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.39 130.31 71.89 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 N-CA-C 109.206 -0.665 . . . . 139.76 109.206 176.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 59.56 84.57 0.05 OUTLIER Glycine 0 C--N 1.339 0.733 0 C-N-CA 124.28 0.943 . . . . 104.29 115.394 169.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.41 -2.82 5.2 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-O 119.07 -0.85 . . . . 106.13 115.073 -178.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.12 93.52 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.523 1.162 . . . . 79.69 111.54 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.488 ' HA ' ' HE3' ' A' ' 124' ' ' MET . 13.8 tttm -70.63 -42.65 70.6 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 118.824 -1.151 . . . . 96.07 111.109 -178.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -54.32 -40.83 68.35 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.081 0.4 . . . . 83.81 112.081 173.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.95 -33.14 67.96 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.593 -0.843 . . . . 77.83 111.629 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -65.38 -34.67 78.85 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 111.856 0.317 . . . . 72.33 111.856 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.01 -43.49 71.24 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 120.316 -0.553 . . . . 119.54 110.586 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.51 -47.13 82.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.723 -0.473 . . . . 75.25 109.723 173.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -58.81 -40.28 83.66 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 116.349 -0.387 . . . . 78.62 111.48 178.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.95 -34.47 27.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.497 -0.481 . . . . 80.47 110.816 -171.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.35 -42.44 93.65 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 119.591 -1.29 . . . . 72.3 111.838 169.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.94 -48.57 78.35 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.163 -0.615 . . . . 72.14 111.284 -179.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 143' ' ' LEU . 3.3 mt -51.28 -49.1 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.502 0.667 . . . . 82.65 109.804 174.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' CYS . . . . . 0.679 ' HA ' HD12 ' A' ' 143' ' ' LEU . 84.7 m -72.34 -32.81 66.82 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.004 -0.544 . . . . 91.37 112.226 -170.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 141' ' ' LYS . 1.9 tptp -68.08 -42.75 79.9 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 116.949 -1.9 . . . . 123.11 110.391 171.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 51.1 m -54.84 -45.15 74.46 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.593 -0.443 . . . . 92.47 111.101 171.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 140' ' ' CYS . 12.7 mt -62.97 -40.72 98.56 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.495 -0.482 . . . . 101.05 111.489 177.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -73.59 -45.85 27.3 Favored Glycine 0 C--N 1.336 0.548 0 O-C-N 121.977 -0.452 . . . . 88.19 113.915 -165.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -46.43 -65.32 0.57 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.574 0.702 . . . . 108.78 111.029 166.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -54.04 -46.72 71.97 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.612 -0.722 . . . . 103.01 111.906 -173.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 8.4 mtt -72.18 -31.69 66.14 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.06 -1.056 . . . . 111.89 112.242 -170.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -64.23 -50.79 66.63 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.773 -0.771 . . . . 137.92 110.944 -173.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -90.89 75.45 6.41 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.755 1.264 . . . . 161.91 108.154 172.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.6 tp -140.72 178.19 7.51 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.959 -1.126 . . . . 134.45 107.959 174.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.465 0.319 0 CA-C-N 115.608 -0.724 . . . . 151.91 111.61 -175.707 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.704 -0.48 . . . . 108.65 109.704 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p -86.62 -8.32 57.58 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.032 0.753 . . . . 94.94 113.032 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.52 8.28 71.04 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.596 -0.812 . . . . 97.54 114.879 -168.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 mt -92.68 149.06 21.56 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 118.415 1.108 . . . . 95.07 111.125 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.1 p -90.91 162.72 14.65 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.336 -0.847 . . . . 99.48 110.215 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.09 -49.92 47.59 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.043 -0.981 . . . . 99.14 113.059 172.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.44 -43.59 56.83 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 CA-C-N 117.529 0.665 . . . . 98.47 113.679 170.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.37 -42.01 96.41 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.292 -0.563 . . . . 104.02 111.364 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.27 -43.98 80.47 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.387 -0.525 . . . . 95.45 111.168 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.58 70.87 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.541 -0.464 . . . . 101.84 111.351 174.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -45.2 65.65 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.835 -0.746 . . . . 107.91 111.506 -178.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.62 -43.16 99.38 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.067 -0.653 . . . . 104.49 111.085 178.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -63.6 -27.33 69.16 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.582 -0.447 . . . . 104.05 111.478 -177.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' B' ' 17' ' ' SER . 1.0 OUTLIER -89.62 -39.79 13.0 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 121.207 -0.197 . . . . 119.97 111.327 -177.621 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.2 p -67.82 -41.22 83.4 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.528 -0.469 . . . . 97.18 111.597 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -58.39 -23.73 57.95 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 112.404 0.52 . . . . 77.55 112.404 175.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' B' ' 14' ' ' SER . 1.6 t -61.9 -38.57 88.86 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.555 -0.458 . . . . 65.46 110.67 172.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -59.44 -46.51 88.54 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.987 -0.685 . . . . 107.65 111.317 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' B' ' 26' ' ' ASN . 36.8 t80 -60.18 -48.62 80.97 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 122.051 -0.405 . . . . 71.73 111.287 173.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 88.3 mmm -67.08 -20.08 65.75 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.844 0.683 . . . . 66.34 112.844 -174.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -60.64 -13.03 12.06 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.937 0.79 . . . . 78.95 112.995 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -151.6 58.39 0.87 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 105.741 -1.948 . . . . 74.13 105.741 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.09 60.1 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.625 -1.17 . . . . 70.3 111.613 -165.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.01 -48.45 87.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 119.398 -0.921 . . . . 65.1 109.845 -175.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -54.4 -43.88 71.84 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.54 -0.3 . . . . 72.66 111.048 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' B' ' 19' ' ' PHE . 87.7 m-20 -78.44 -35.78 46.4 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 118.715 -1.194 . . . . 67.48 110.945 -175.513 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.17 -44.43 94.87 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.022 -1.085 . . . . 75.05 112.642 171.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . 0.649 HG21 ' O ' ' B' ' 613' ' ' HOH . 75.6 p -64.32 -50.32 68.27 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.588 -0.845 . . . . 95.64 111.45 176.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.503 ' HB3' ' CE2' ' B' ' 118' ' ' TYR . 20.6 m-20 -52.2 -32.44 36.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 120.956 -0.298 . . . . 77.77 111.519 174.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.06 -46.45 56.87 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 118.763 -1.175 . . . . 73.12 110.023 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.414 ' OH ' ' O2 ' ' B' ' 501' ' ' OXY . 18.4 m-85 -60.22 -44.44 95.17 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.128 -0.629 . . . . 73.71 111.528 178.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 32.4 mmt -58.16 -39.97 80.2 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.599 -0.841 . . . . 88.0 110.998 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.53 -42.4 99.5 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.266 -0.574 . . . . 89.86 111.131 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.93 -47.64 76.99 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.916 0.389 . . . . 76.83 111.229 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -59.3 -35.46 73.82 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.205 -0.598 . . . . 75.5 111.281 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -72.82 -38.95 66.97 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.155 -0.341 . . . . 105.56 111.278 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.61 -34.34 21.42 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 121.82 -0.55 . . . . 81.2 111.861 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -128.44 77.92 76.47 Favored Pre-proline 0 C--O 1.245 0.859 0 N-CA-C 107.962 -1.125 . . . . 102.03 107.962 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -56.31 -25.84 58.79 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 120.623 0.882 . . . . 86.63 113.205 -177.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.26 -36.42 63.57 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.402 0.519 . . . . 112.91 112.402 174.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 56.4 p -63.03 -16.15 58.89 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.07 0.767 . . . . 81.96 113.07 -176.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.2 -21.0 66.7 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 118.794 -1.162 . . . . 83.35 112.139 176.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' THR . . . . . 0.431 ' HB ' ' HD3' ' B' ' 44' ' ' PRO . 96.9 m -65.13 -47.94 71.19 Favored Pre-proline 0 C--O 1.245 0.817 0 C-N-CA 119.419 -0.912 . . . . 86.54 112.662 -169.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.431 ' HD3' ' HB ' ' B' ' 43' ' ' THR . 72.0 Cg_exo -61.03 -27.44 84.63 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 CA-C-N 121.111 1.433 . . . . 84.68 114.758 177.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -81.43 15.58 1.98 Allowed 'General case' 0 C--O 1.242 0.71 0 N-CA-C 113.74 1.015 . . . . 79.43 113.74 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HE3' ' B' ' 46' ' ' LYS . 5.5 mmmt -77.38 -29.04 53.02 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 117.445 -1.702 . . . . 121.42 113.034 -176.246 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.1 t -63.12 -47.13 84.11 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.388 -0.925 . . . . 96.92 110.562 171.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.99 -51.45 69.2 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.955 0.407 . . . . 86.14 111.392 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.618 ' HZ ' ' HE1' ' B' ' 63' ' ' MET . 13.8 m-85 -94.72 33.42 1.46 Allowed 'General case' 0 C--O 1.233 0.199 0 N-CA-C 113.656 0.984 . . . . 91.61 113.656 -168.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.48 -81.91 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.496 1.044 . . . . 151.31 112.064 -163.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.25 61.49 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 122.217 1.008 . . . . 160.92 109.904 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.06 -25.15 2.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 113.498 0.925 . . . . 128.8 113.498 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.1 p 60.34 -179.18 0.1 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 120.157 1.344 . . . . 119.95 111.842 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -94.9 -37.71 11.05 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.438 0.533 . . . . 129.9 112.438 -171.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.562 ' O ' ' N ' ' B' ' 57' ' ' MET . 6.1 t30 -61.89 179.73 0.25 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 106.134 -1.802 . . . . 128.08 106.134 160.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' B' ' 60' ' ' HIS . 14.4 pt20 48.17 -7.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 116.444 2.016 . . . . 131.45 116.444 174.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' MET . . . . . 0.562 ' N ' ' O ' ' B' ' 55' ' ' ASN . 3.7 ttm -75.18 -51.92 12.2 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 118.788 0.722 . . . . 85.78 111.219 -176.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -43.75 142.33 1.3 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.702 -0.851 . . . . 92.06 108.702 157.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.86 2.84 0.57 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.484 0.92 . . . . 96.28 113.484 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 56' ' ' GLN . 58.0 t-80 -80.44 140.11 51.99 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 116.147 -2.221 . . . . 68.94 110.085 176.331 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -47.49 -45.72 22.28 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 121.063 1.175 . . . . 69.68 114.12 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -56.61 -39.14 73.08 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.622 -0.431 . . . . 77.17 110.952 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' MET . . . . . 0.618 ' HE1' ' HZ ' ' B' ' 49' ' ' PHE . 10.5 tpp -83.18 -27.21 30.2 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 117.708 -1.597 . . . . 83.64 111.228 -176.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -67.15 -40.01 86.63 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.396 -0.815 . . . . 73.92 110.372 173.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.6 76.25 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.513 -0.475 . . . . 67.31 111.129 176.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.43 HE22 ' CHA' ' B' ' 500' ' ' HEM . 52.7 tp60 -73.55 -44.54 57.23 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 118.032 -1.467 . . . . 65.88 111.006 -177.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.27 -35.58 65.19 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.04 -0.664 . . . . 79.15 110.364 174.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 tp -65.46 -53.62 40.08 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.677 0.275 . . . . 66.18 111.459 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.94 -33.55 64.31 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 120.097 -0.641 . . . . 76.91 110.449 -176.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -60.1 -42.58 95.01 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.82 -0.352 . . . . 65.76 111.15 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.74 -39.74 88.06 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.684 -0.406 . . . . 67.96 111.473 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -63.68 -46.5 85.24 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.148 -0.621 . . . . 73.76 110.591 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -48.89 -52.35 21.58 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 120.281 -0.961 . . . . 61.98 112.129 174.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.5 mmm -70.05 -39.82 75.47 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 119.532 -0.867 . . . . 86.96 110.993 -179.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.4 m -60.54 -41.97 95.56 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.715 -0.394 . . . . 72.33 110.462 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 53.2 p -58.47 -36.72 74.15 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.68 -0.408 . . . . 79.85 111.347 175.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -69.58 -49.26 55.78 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 120.029 -0.669 . . . . 67.12 110.841 176.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.94 -39.82 86.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.061 0.458 . . . . 71.65 110.594 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -67.72 -20.08 65.22 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 112.964 0.728 . . . . 89.58 112.964 -177.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -117.16 27.38 9.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 118.004 0.365 . . . . 84.46 111.881 -173.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.96 -23.0 67.21 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 112.584 0.587 . . . . 87.18 112.584 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -99.53 0.97 43.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.066 0.765 . . . . 111.33 113.066 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -121.17 90.9 3.41 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 106.988 -1.486 . . . . 115.19 106.988 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HIS . . . . . 0.425 ' HD2' ' O ' ' B' ' 611' ' ' HOH . 50.5 t-80 -65.79 -45.94 80.54 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.469 -0.787 . . . . 113.45 111.933 -168.139 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.468 ' O ' HG23 ' B' ' 89' ' ' VAL . 0.7 OUTLIER -61.71 -34.7 76.24 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.542 -0.463 . . . . 127.22 111.684 -170.989 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.38 -39.44 27.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 118.617 -1.233 . . . . 92.57 110.123 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 56.3 tp -48.32 -45.43 35.15 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.134 0.493 . . . . 74.06 110.543 176.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.7 -48.91 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.468 -0.333 . . . . 90.01 110.72 174.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 85' ' ' GLU . 13.5 t -58.69 -40.01 78.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 121.937 -0.477 . . . . 79.96 110.265 179.444 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.1 mt -67.05 -51.81 49.96 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.539 -0.864 . . . . 74.85 111.334 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.415 HD22 HG23 ' B' ' 140' ' ' ILE . 95.9 mt -53.87 -35.65 61.79 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.624 -0.43 . . . . 78.69 110.444 177.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -80.7 -33.95 34.99 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.633 0.605 . . . . 91.35 112.633 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.728 ' NZ ' ' O1D' ' A' ' 500' ' ' HEM . 10.4 mtpp -55.43 -48.11 74.95 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 118.839 -1.144 . . . . 81.0 110.089 169.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 10.1 ttt -64.32 -44.51 91.35 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.929 -0.708 . . . . 85.72 111.308 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.689 ' HB2' ' HG2' ' B' ' 144' ' ' GLN . . . -64.58 -36.36 83.98 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.528 -0.869 . . . . 82.11 111.091 -175.7 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -63.98 -36.94 85.6 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.393 -0.523 . . . . 84.16 111.072 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 97' ' ' LEU . 68.6 mt -68.75 -45.8 70.51 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.657 -0.417 . . . . 84.87 111.382 -179.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -73.18 -35.42 66.4 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.369 -0.533 . . . . 87.44 111.477 -178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.436 ' CD1' ' HB3' ' B' ' 148' ' ' MET . 45.6 t80 -57.08 -48.82 77.65 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 119.316 -0.954 . . . . 113.0 110.409 175.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -62.62 -17.04 59.53 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.234 0.457 . . . . 116.92 112.234 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.703 ' HB2' HD12 ' B' ' 103' ' ' ILE . 64.7 mtt85 -87.16 -0.89 57.41 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 113.038 0.755 . . . . 93.04 113.038 173.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.36 -12.57 64.98 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-O 118.739 -1.034 . . . . 99.28 114.762 -177.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.703 HD12 ' HB2' ' B' ' 101' ' ' ARG . 3.4 mp -67.32 145.3 13.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 CA-C-N 118.685 1.242 . . . . 81.75 109.598 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 -121.22 170.8 9.23 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.879 0.871 . . . . 104.78 108.929 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 5.9 tp -58.57 -33.06 47.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 115.487 -0.779 . . . . 111.38 111.242 -173.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -42.3 77.99 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.111 -0.636 . . . . 112.81 110.907 179.122 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.76 -39.71 69.8 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.32 -0.952 . . . . 110.63 111.011 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.91 -51.1 68.28 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.651 -0.819 . . . . 89.07 110.494 177.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -54.83 -38.54 67.53 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.4 -0.52 . . . . 117.74 111.205 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -63.64 -49.64 72.45 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 120.143 -0.623 . . . . 97.48 110.961 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.08 -42.02 70.6 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 120.397 -0.906 . . . . 69.03 112.24 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.73 -40.48 92.2 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.227 -0.589 . . . . 70.29 110.85 -179.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.57 -46.1 66.43 Favored Glycine 0 C--N 1.342 0.897 0 C-N-CA 119.979 -1.105 . . . . 73.19 112.033 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.63 -45.58 97.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 O-C-N 122.205 -0.585 . . . . 81.5 111.11 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.31 -44.21 95.64 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.076 -0.65 . . . . 74.24 110.775 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.14 -44.31 97.53 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.702 0.287 . . . . 99.0 111.38 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -65.84 -34.96 79.34 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 118.354 -1.338 . . . . 149.55 111.058 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' B' ' 29' ' ' ASN . 44.6 t80 -64.42 -44.7 90.4 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.008 -0.677 . . . . 81.17 111.423 176.537 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.82 -33.42 70.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 119.286 -0.965 . . . . 95.62 111.534 172.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.06 -40.71 71.49 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 118.851 -1.14 . . . . 119.08 111.256 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -69.8 -39.49 76.54 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 111.712 0.264 . . . . 104.1 111.712 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -118.14 -46.42 2.61 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.324 0.861 . . . . 108.83 113.324 -167.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 54.3 m -91.48 20.51 5.26 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.641 0.608 . . . . 100.56 112.641 -174.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 61.97 16.01 7.74 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.72 1.208 . . . . 137.76 113.963 165.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.477 HG23 HG23 ' B' ' 129' ' ' THR . 4.3 p -64.76 125.97 22.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 O-C-N 121.125 -0.984 . . . . 117.38 108.638 178.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.548 ' O ' HG22 ' B' ' 129' ' ' THR . 0.8 OUTLIER -171.41 165.88 7.0 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.135 -0.691 . . . . 159.21 109.135 -176.346 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 79.84 -134.79 14.06 Favored Glycine 0 CA--C 1.505 -0.562 0 N-CA-C 110.32 -1.112 . . . . 132.13 110.32 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' B' ' 131' ' ' ASN . 2.4 p -90.04 1.51 56.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.889 0.699 . . . . 135.26 112.889 173.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' THR . . . . . 0.548 HG22 ' O ' ' B' ' 126' ' ' GLU . 1.4 t -89.94 -18.32 26.3 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 118.797 0.726 . . . . 124.32 111.551 167.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' B' ' 134' ' ' GLU . 0.7 OUTLIER -73.47 -38.09 65.55 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.545 -0.462 . . . . 144.98 110.254 160.855 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.478 ' HB2' ' HA ' ' B' ' 128' ' ' SER . 4.2 m-20 -57.42 -43.06 83.48 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 121.082 -0.247 . . . . 121.81 111.187 173.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.9 86.93 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.555 -0.458 . . . . 90.68 111.231 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' TRP . . . . . 0.475 ' CD1' HG21 ' B' ' 125' ' ' VAL . 66.0 m95 -70.35 -41.74 72.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.636 -0.826 . . . . 83.27 111.08 -176.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' GLU . . . . . 0.432 ' OE2' ' HA ' ' B' ' 131' ' ' ASN . 8.6 mt-10 -52.1 -53.9 36.98 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.463 -0.495 . . . . 149.15 111.534 174.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -62.02 -45.2 94.62 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.102 0.477 . . . . 103.75 110.868 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.59 -54.07 25.57 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.947 0.499 . . . . 89.21 111.498 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.81 -47.33 93.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.297 -0.561 . . . . 84.82 110.905 -177.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.34 -43.45 54.09 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.379 -0.529 . . . . 85.02 111.508 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' TYR . . . . . 0.408 ' OH ' ' NE2' ' B' ' 84' ' ' HIS . 80.5 t80 -64.74 -48.85 73.06 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.796 -0.762 . . . . 98.3 111.034 177.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' ILE . . . . . 0.415 HG23 HD22 ' B' ' 91' ' ' LEU . 86.7 mt -54.46 -40.31 48.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 CA-C-O 121.323 0.582 . . . . 75.7 110.785 178.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' B' ' 145' ' ' GLY . 63.8 m -75.49 -35.19 60.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.151 -0.62 . . . . 92.22 111.176 -173.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -74.23 -33.92 63.5 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 118.066 -1.454 . . . . 130.26 110.741 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.12 -52.65 53.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 120.176 -0.609 . . . . 87.3 110.148 173.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' GLN . . . . . 0.689 ' HG2' ' HB2' ' B' ' 95' ' ' ALA . 95.4 mt-30 -68.91 -38.36 79.54 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.913 -0.715 . . . . 93.71 111.303 177.365 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' B' ' 141' ' ' CYS . . . -61.44 -50.48 66.21 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 119.818 -1.182 . . . . 93.5 112.729 178.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -60.38 -38.48 84.07 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.341 -0.506 . . . . 110.03 110.652 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' PHE . . . . . 0.543 ' CD1' ' OE1' ' B' ' 150' ' ' GLU . 92.9 t80 -82.62 14.72 2.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.318 0.858 . . . . 129.88 113.318 -179.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' B' ' 144' ' ' GLN . 5.5 mtm -126.03 -12.95 6.36 Favored 'General case' 0 CA--C 1.52 -0.204 0 O-C-N 119.616 -1.927 . . . . 118.38 114.926 163.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -68.33 -14.54 63.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 119.306 0.957 . . . . 145.58 111.775 162.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' GLU . . . . . 0.71 ' OE2' ' CZ ' ' B' ' 151' ' ' ARG . 4.4 pt-20 -37.4 -60.69 0.65 Allowed 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.886 0.874 . . . . 201.81 112.965 169.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' ARG . . . . . 0.71 ' CZ ' ' OE2' ' B' ' 150' ' ' GLU . 0.9 OUTLIER -116.51 108.5 16.07 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 106.578 -1.638 . . . . 173.64 106.578 -177.88 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 C--O 1.236 0.386 0 N-CA-C 107.226 -1.398 . . . . 160.6 107.226 -176.765 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' HEM . . . . . 0.728 ' O1D' ' NZ ' ' B' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' OXY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 500' ' ' HEM . . . . . 0.651 ' O1D' ' NZ ' ' A' ' 92' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' OXY . . . . . 0.414 ' O2 ' ' OH ' ' B' ' 31' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . 0.558 ' O ' ' HA ' ' A' ' 122' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 611' ' ' HOH . . . . . 0.425 ' O ' ' HD2' ' B' ' 84' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 613' ' ' HOH . . . . . 0.649 ' O ' HG21 ' B' ' 28' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_