data_1crj_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1crj _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 103.598 -2.742 . . . . 54.19 103.598 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -166.38 18.78 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 O-C-N 128.648 3.717 . . . . 57.42 108.072 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -133.81 124.67 26.96 Favored 'General case' 0 CA--C 1.574 1.871 1 C-N-CA 134.975 5.31 . . . . 46.43 102.887 178.548 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -120.39 145.22 47.39 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 128.779 3.799 . . . . 47.5 104.042 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -58.73 146.1 37.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 125.592 1.808 . . . . 30.83 108.883 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -127.38 -150.8 7.52 Favored Glycine 0 N--CA 1.434 -1.468 0 O-C-N 127.633 3.083 . . . . 26.18 108.079 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -92.12 114.51 27.07 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-N 113.15 -1.525 . . . . 24.06 111.591 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.1 -42.68 96.8 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-O 114.074 -2.87 . . . . 20.16 107.951 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.42 -48.37 81.49 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 126.047 2.092 . . . . 32.71 111.251 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.255 8.9 mmtt -57.13 -45.59 83.39 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 126.75 3.167 . . . . 38.85 110.34 177.786 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.96 -41.84 98.04 Favored Glycine 0 N--CA 1.43 -1.732 2 CA-C-O 109.335 -6.259 . . . . 16.58 110.551 178.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.25 -37.2 84.95 Favored 'General case' 0 C--N 1.298 -1.668 1 O-C-N 130.567 4.334 . . . . 16.7 112.236 178.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.274 72.1 p -78.43 -25.09 45.9 Favored 'General case' 0 C--O 1.253 1.252 0 O-C-N 125.201 1.563 . . . . 21.24 112.822 179.85 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -42.4 70.51 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 103.552 -2.759 . . . . 22.08 103.552 176.48 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -58.45 -50.73 72.65 Favored 'General case' 0 N--CA 1.521 3.11 0 CA-C-N 111.836 -2.438 . . . . 14.69 109.367 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.286 18.9 mtmt -60.64 -40.27 91.36 Favored 'General case' 0 C--O 1.259 1.577 0 C-N-CA 114.665 -2.814 . . . . 28.01 111.158 -178.536 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.262 63.2 p -82.26 -22.57 35.72 Favored 'General case' 0 C--O 1.264 1.823 0 O-C-N 118.341 -2.724 . . . . 24.03 115.065 -177.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -119.79 -15.13 8.93 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 118.427 2.751 . . . . 40.46 118.427 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . 0.347 80.1 m -126.48 -24.47 3.61 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 116.225 -2.19 . . . . 11.82 111.785 -177.55 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.67 -34.81 71.66 Favored 'General case' 0 C--O 1.258 1.547 0 O-C-N 125.001 1.438 . . . . 12.75 113.473 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -44.4 -42.76 7.16 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 111.6 -2.546 . . . . 19.79 110.09 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.1 m -111.96 -11.52 13.85 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 118.797 2.888 . . . . 12.56 118.797 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 30' ' ' PRO . 91.1 m-70 -140.2 158.28 44.29 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 123.89 1.805 . . . . 11.4 115.357 -177.103 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.9 p -116.29 161.24 19.3 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 105.52 -2.03 . . . . 11.28 105.52 174.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -123.71 -12.6 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 116.72 -1.992 . . . . 18.12 108.197 -179.049 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 2.7 pm0 -73.74 151.82 40.55 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 127.677 3.608 . . . . 35.25 114.957 -176.444 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -62.76 121.76 14.22 Favored 'General case' 0 C--O 1.258 1.542 0 O-C-N 117.713 -3.117 . . . . 30.78 105.285 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.52 15.45 71.11 Favored Glycine 1 N--CA 1.545 5.953 1 C-N-CA 112.355 -4.736 . . . . 22.05 114.242 -179.38 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.85 151.56 19.54 Favored Glycine 0 CA--C 1.57 3.511 1 N-CA-C 101.469 -4.653 . . . . 18.58 101.469 176.756 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -86.6 165.45 9.17 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 N-CA-C 118.381 2.416 . . . . 16.92 118.381 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -77.47 144.5 37.72 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 104.026 -2.583 . . . . 13.8 104.026 173.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -124.79 -125.34 0.25 Allowed 'General case' 0 C--O 1.303 3.9 0 O-C-N 127.897 3.248 . . . . 15.46 103.138 175.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.06 -50.74 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.288 0 N-CA-C 108.062 -1.088 . . . . 12.86 108.062 171.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.22 168.38 15.58 Favored Glycine 0 C--N 1.368 2.307 0 O-C-N 126.995 2.685 . . . . 11.54 107.425 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . 0.435 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.6 Cg_endo -74.51 158.02 44.35 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 CA-C-O 115.391 -2.004 . . . . 12.71 112.514 -177.953 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.09 137.7 58.33 Favored 'General case' 0 N--CA 1.499 1.999 1 O-C-N 129.42 4.2 . . . . 15.41 103.968 173.194 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.6 mt -99.91 7.52 44.81 Favored 'General case' 0 C--O 1.271 2.206 1 O-C-N 129.4 4.188 . . . . 15.45 113.132 -177.987 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -51.93 132.31 32.03 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 124.944 2.307 . . . . 26.37 109.575 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.11 34.51 84.21 Favored Glycine 0 N--CA 1.418 -2.552 0 CA-C-O 115.62 -2.766 . . . . 19.26 115.298 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 tp -72.53 -25.31 22.65 Favored 'Isoleucine or valine' 0 C--O 1.275 2.43 0 N-CA-C 117.93 2.567 . . . . 22.37 117.93 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -73.33 136.01 44.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.247 -0.908 . . . . 24.89 109.16 -177.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 79.06 -4.16 63.07 Favored Glycine 0 N--CA 1.491 2.349 0 CA-C-O 116.407 -2.329 . . . . 28.14 114.564 -177.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.26 157.75 15.8 Favored 'General case' 0 N--CA 1.508 2.456 0 N-CA-C 103.691 -2.707 . . . . 35.83 103.691 178.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -91.05 163.87 14.15 Favored 'General case' 0 C--O 1.257 1.466 0 N-CA-C 105.018 -2.215 . . . . 25.26 105.018 177.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 p -67.02 145.2 55.64 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 127.813 3.195 . . . . 21.89 111.69 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.55 37.4 62.17 Favored Glycine 0 C--O 1.252 1.256 0 CA-C-O 116.249 -2.417 . . . . 18.79 116.406 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.53 5.63 6.86 Favored 'General case' 0 C--O 1.248 0.985 1 CA-C-N 126.392 5.096 . . . . 30.88 118.48 -176.848 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.17 141.11 50.71 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 102.556 -3.127 . . . . 18.64 102.556 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -86.28 152.78 22.49 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 114.811 -2.756 . . . . 43.9 108.047 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.02 6.98 89.08 Favored Glycine 0 C--O 1.266 2.153 0 CA-C-O 114.695 -3.281 . . . . 17.4 112.968 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -118.6 130.89 56.13 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 121.494 2.647 . . . . 16.41 114.489 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 t -82.88 89.31 6.82 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 125.128 2.394 . . . . 23.74 113.182 179.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . 0.257 74.1 m-85 -80.1 160.78 25.64 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 117.687 -3.133 . . . . 20.72 111.521 178.294 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -73.59 160.36 31.75 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 115.562 -2.161 . . . . 20.39 106.972 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -55.72 -47.16 77.36 Favored 'General case' 0 CA--C 1.56 1.333 1 O-C-N 130.272 4.732 . . . . 33.26 105.871 179.381 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.0 -51.36 24.22 Favored 'General case' 0 C--O 1.269 2.11 1 C-N-CA 132.01 4.124 . . . . 25.01 120.61 -178.559 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.5 tt -74.94 -33.04 28.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 122.984 1.373 . . . . 21.68 109.642 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.74 -42.0 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 114.206 -1.361 . . . . 23.44 109.354 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -78.61 -25.0 45.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 126.56 2.412 . . . . 37.55 114.25 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -37.76 88.5 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 104.154 -2.536 . . . . 35.7 104.154 178.751 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 51.18 41.09 27.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 131.078 3.751 . . . . 35.03 111.911 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.79 139.37 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 124.883 2.278 . . . . 37.21 111.948 178.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.74 115.57 30.34 Favored 'General case' 0 N--CA 1.491 1.597 1 N-CA-C 99.958 -4.09 . . . . 39.01 99.958 175.056 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 37' ' ' GLY . 65.2 m95 -78.39 104.23 8.85 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 127.578 3.049 . . . . 32.73 118.384 -174.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.625 ' OD1' ' N ' ' A' ' 63' ' ' ASN . 12.2 p30 -121.68 154.7 36.5 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 111.729 -2.487 . . . . 39.06 107.602 177.007 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -24.19 0.55 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 118.796 0.725 . . . . 39.46 111.564 176.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . 0.467 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 27.6 m-20 -84.7 -35.26 22.66 Favored 'General case' 0 C--O 1.27 2.183 0 O-C-N 117.133 -3.479 . . . . 38.44 114.686 -178.445 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . 0.625 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -67.99 -48.35 66.02 Favored 'General case' 0 C--N 1.287 -2.146 0 C-N-CA 128.09 2.556 . . . . 40.04 107.829 178.48 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.0 tpp -53.08 -32.97 49.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 108.713 -3.858 . . . . 23.57 110.067 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.8 t -79.67 -38.18 34.18 Favored 'General case' 0 C--O 1.281 2.738 0 O-C-N 119.392 -2.068 . . . . 18.02 114.071 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -68.46 -42.16 79.15 Favored 'General case' 0 C--O 1.203 -1.349 0 C-N-CA 116.53 -2.068 . . . . 45.41 107.007 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -49.55 -57.44 7.09 Favored 'General case' 0 C--O 1.265 1.891 0 O-C-N 129.015 3.947 . . . . 25.48 111.791 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.321 67.0 mt -62.85 -22.62 66.81 Favored 'General case' 0 CA--C 1.485 -1.524 0 N-CA-C 114.582 1.327 . . . . 18.5 114.582 179.503 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.0 m -66.29 -38.13 87.04 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 119.771 -1.83 . . . . 18.92 111.104 176.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -170.55 86.56 0.52 Allowed Pre-proline 0 C--O 1.258 1.523 0 N-CA-C 106.321 -1.733 . . . . 29.34 106.321 -174.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -48.38 -54.35 5.43 Favored 'Trans proline' 0 C--O 1.261 1.661 0 O-C-N 127.068 3.141 . . . . 22.21 117.021 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 115.258 1.577 . . . . 26.6 115.258 -178.506 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . 0.606 ' NZ ' ' O ' ' A' ' 149' ' ' HOH . 10.9 tptt -70.73 -35.79 72.87 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 105.517 -2.031 . . . . 29.59 105.517 177.858 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -81.97 -34.08 29.92 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 120.029 -1.669 . . . . 27.62 114.393 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.264 10.9 mt -137.51 81.61 29.78 Favored Pre-proline 0 N--CA 1.505 2.282 0 CA-C-O 124.784 2.231 . . . . 23.31 106.613 179.366 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -62.13 134.29 48.42 Favored 'Trans proline' 0 C--O 1.25 1.101 0 N-CA-C 105.33 -2.604 . . . . 19.03 105.33 -173.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.06 -19.26 35.33 Favored Glycine 0 N--CA 1.486 2.024 0 C-N-CA 114.62 -3.657 . . . . 17.7 110.168 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -58.43 142.5 48.37 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 118.505 -1.278 . . . . 18.09 110.362 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -83.34 -8.07 59.48 Favored 'General case' 0 C--N 1.286 -2.182 0 C-N-CA 128.221 2.609 . . . . 19.75 111.0 174.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 ttt -60.57 110.94 1.41 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 114.527 -2.654 . . . . 17.63 108.928 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . 0.398 . . -93.62 80.19 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 121.143 1.792 . . . . 19.16 114.184 177.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -141.34 125.1 16.93 Favored 'General case' 0 C--O 1.26 1.655 0 CA-C-N 114.575 -1.193 . . . . 21.77 107.89 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.53 -49.84 69.99 Favored Glycine 0 C--O 1.27 2.354 0 CA-C-O 116.03 -2.539 . . . . 29.25 111.414 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.41 174.4 13.89 Favored Glycine 0 N--CA 1.51 3.595 0 N-CA-C 107.45 -2.26 . . . . 24.2 107.45 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mt -123.41 97.56 5.46 Favored 'General case' 0 CA--C 1.565 1.526 0 C-N-CA 130.981 3.712 . . . . 24.13 104.053 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -70.66 -33.51 71.04 Favored 'General case' 0 C--O 1.258 1.504 0 C-N-CA 127.924 2.49 . . . . 47.21 115.498 -176.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -83.26 129.88 35.04 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 121.181 0.515 . . . . 32.47 110.536 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -62.43 -38.77 91.02 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.945 -1.025 . . . . 26.31 110.989 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -58.33 -45.2 88.53 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 117.842 -1.543 . . . . 29.39 112.269 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.82 -38.88 86.93 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 120.756 1.616 . . . . 20.8 113.939 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -63.25 -42.74 99.23 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.389 -1.278 . . . . 19.14 109.778 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.58 -46.98 71.07 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 128.094 3.371 . . . . 18.41 109.163 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -57.06 -53.13 61.54 Favored 'General case' 0 C--O 1.261 1.702 1 O-C-N 129.146 4.029 . . . . 17.77 108.387 177.5 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.303 15.0 tp -56.47 -49.29 75.08 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 113.877 -2.963 . . . . 12.2 115.277 -178.397 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.0 mt -60.89 -30.42 47.37 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 CA-C-N 125.149 3.613 . . . . 20.69 112.341 177.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.2 m -63.02 -45.1 93.91 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 119.435 -2.041 . . . . 21.66 106.565 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -66.07 -46.92 76.02 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 124.939 2.304 . . . . 18.34 110.535 -178.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.42 -57.52 10.98 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 111.137 -2.756 . . . . 29.26 109.094 -176.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -44.75 -36.76 3.35 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-O 126.088 2.852 . . . . 41.33 108.92 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -82.62 -47.92 11.53 Favored 'General case' 0 C--O 1.28 2.667 0 O-C-N 118.593 -2.567 . . . . 38.75 115.953 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.02 -23.3 55.19 Favored 'General case' 0 C--O 1.27 2.171 0 CA-C-O 113.732 -3.032 . . . . 22.51 116.71 -177.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.8 p -88.4 -0.16 56.87 Favored 'General case' 0 C--N 1.269 -2.917 0 C-N-CA 129.525 3.13 . . . . 23.16 115.541 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.256 11.5 tp10 . . . . . 0 N--CA 1.422 -1.859 0 CA-C-O 113.484 -3.15 . . . . 33.38 115.055 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . 0.606 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -5' ' ' THR . . . . . 0.47 ' HB ' ' OD1' ' A' ' 62' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 103.598 -2.742 . . . . 54.19 103.598 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -4' ' ' GLU . . . . . 0.519 ' HB3' ' O ' ' A' ' 214' ' ' HOH . 2.9 mt-10 -166.38 18.78 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 O-C-N 128.648 3.717 . . . . 57.42 108.072 177.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -133.81 124.67 26.96 Favored 'General case' 0 CA--C 1.574 1.871 1 C-N-CA 134.975 5.31 . . . . 46.43 102.887 178.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -120.39 145.22 47.39 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 128.779 3.799 . . . . 47.5 104.042 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -58.73 146.1 37.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 125.592 1.808 . . . . 30.83 108.883 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -127.38 -150.8 7.52 Favored Glycine 0 N--CA 1.434 -1.468 0 O-C-N 127.633 3.083 . . . . 26.18 108.079 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.621 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 47.2 t -92.12 114.51 27.07 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-N 113.15 -1.525 . . . . 24.06 111.591 -178.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.1 -42.68 96.8 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-O 114.074 -2.87 . . . . 20.16 107.951 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.42 -48.37 81.49 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 126.047 2.092 . . . . 32.71 111.251 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 2' ' ' SER 0.255 8.9 mmtt -57.13 -45.59 83.39 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 126.75 3.167 . . . . 38.85 110.34 177.786 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.96 -41.84 98.04 Favored Glycine 0 N--CA 1.43 -1.732 2 CA-C-O 109.335 -6.259 . . . . 16.58 110.551 178.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.25 -37.2 84.95 Favored 'General case' 0 C--N 1.298 -1.668 1 O-C-N 130.567 4.334 . . . . 16.7 112.236 178.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.274 72.1 p -78.43 -25.09 45.9 Favored 'General case' 0 C--O 1.253 1.252 0 O-C-N 125.201 1.563 . . . . 21.24 112.822 179.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -42.4 70.51 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 103.552 -2.759 . . . . 22.08 103.552 176.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -58.45 -50.73 72.65 Favored 'General case' 0 N--CA 1.521 3.11 0 CA-C-N 111.836 -2.438 . . . . 14.69 109.367 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.286 18.9 mtmt -60.64 -40.27 91.36 Favored 'General case' 0 C--O 1.259 1.577 0 C-N-CA 114.665 -2.814 . . . . 28.01 111.158 -178.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.262 63.2 p -82.26 -22.57 35.72 Favored 'General case' 0 C--O 1.264 1.823 0 O-C-N 118.341 -2.724 . . . . 24.03 115.065 -177.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -119.79 -15.13 8.93 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 118.427 2.751 . . . . 40.46 118.427 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . 0.347 80.1 m -126.48 -24.47 3.61 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 116.225 -2.19 . . . . 11.82 111.785 -177.55 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.67 -34.81 71.66 Favored 'General case' 0 C--O 1.258 1.547 0 O-C-N 125.001 1.438 . . . . 12.75 113.473 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -44.4 -42.76 7.16 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 111.6 -2.546 . . . . 19.79 110.09 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.1 m -111.96 -11.52 13.85 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 118.797 2.888 . . . . 12.56 118.797 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -140.2 158.28 44.29 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 123.89 1.805 . . . . 11.4 115.357 -177.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.9 p -116.29 161.24 19.3 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 105.52 -2.03 . . . . 11.28 105.52 174.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 195' ' ' HOH . 0.7 OUTLIER -123.71 -12.6 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 116.72 -1.992 . . . . 18.12 108.197 -179.049 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -73.74 151.82 40.55 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 127.677 3.608 . . . . 35.25 114.957 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -62.76 121.76 14.22 Favored 'General case' 0 C--O 1.258 1.542 0 O-C-N 117.713 -3.117 . . . . 30.78 105.285 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.52 15.45 71.11 Favored Glycine 1 N--CA 1.545 5.953 1 C-N-CA 112.355 -4.736 . . . . 22.05 114.242 -179.38 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.85 151.56 19.54 Favored Glycine 0 CA--C 1.57 3.511 1 N-CA-C 101.469 -4.653 . . . . 18.58 101.469 176.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -86.6 165.45 9.17 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 N-CA-C 118.381 2.416 . . . . 16.92 118.381 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 24.8 m-70 -77.47 144.5 37.72 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 104.026 -2.583 . . . . 13.8 104.026 173.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -124.79 -125.34 0.25 Allowed 'General case' 0 C--O 1.303 3.9 0 O-C-N 127.897 3.248 . . . . 15.46 103.138 175.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.06 -50.74 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.288 0 N-CA-C 108.062 -1.088 . . . . 12.86 108.062 171.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.22 168.38 15.58 Favored Glycine 0 C--N 1.368 2.307 0 O-C-N 126.995 2.685 . . . . 11.54 107.425 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -74.51 158.02 44.35 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 CA-C-O 115.391 -2.004 . . . . 12.71 112.514 -177.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.09 137.7 58.33 Favored 'General case' 0 N--CA 1.499 1.999 1 O-C-N 129.42 4.2 . . . . 15.41 103.968 173.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.6 mt -99.91 7.52 44.81 Favored 'General case' 0 C--O 1.271 2.206 1 O-C-N 129.4 4.188 . . . . 15.45 113.132 -177.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -51.93 132.31 32.03 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 124.944 2.307 . . . . 26.37 109.575 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.11 34.51 84.21 Favored Glycine 0 N--CA 1.418 -2.552 0 CA-C-O 115.62 -2.766 . . . . 19.26 115.298 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 tp -72.53 -25.31 22.65 Favored 'Isoleucine or valine' 0 C--O 1.275 2.43 0 N-CA-C 117.93 2.567 . . . . 22.37 117.93 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -73.33 136.01 44.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.247 -0.908 . . . . 24.89 109.16 -177.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.06 -4.16 63.07 Favored Glycine 0 N--CA 1.491 2.349 0 CA-C-O 116.407 -2.329 . . . . 28.14 114.564 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.26 157.75 15.8 Favored 'General case' 0 N--CA 1.508 2.456 0 N-CA-C 103.691 -2.707 . . . . 35.83 103.691 178.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . 0.766 ' CE1' HD23 ' A' ' 58' ' ' LEU . 75.3 m80 -91.05 163.87 14.15 Favored 'General case' 0 C--O 1.257 1.466 0 N-CA-C 105.018 -2.215 . . . . 25.26 105.018 177.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . 0.441 ' HB2' HG12 ' A' ' 52' ' ' ILE . 23.1 p -67.02 145.2 55.64 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 127.813 3.195 . . . . 21.89 111.69 178.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.55 37.4 62.17 Favored Glycine 0 C--O 1.252 1.256 0 CA-C-O 116.249 -2.417 . . . . 18.79 116.406 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -126.53 5.63 6.86 Favored 'General case' 0 C--O 1.248 0.985 1 CA-C-N 126.392 5.096 . . . . 30.88 118.48 -176.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.17 141.11 50.71 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 102.556 -3.127 . . . . 18.64 102.556 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -86.28 152.78 22.49 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 114.811 -2.756 . . . . 43.9 108.047 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.02 6.98 89.08 Favored Glycine 0 C--O 1.266 2.153 0 CA-C-O 114.695 -3.281 . . . . 17.4 112.968 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . 0.438 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 51.4 t80 -118.6 130.89 56.13 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 121.494 2.647 . . . . 16.41 114.489 178.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 t -82.88 89.31 6.82 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 125.128 2.394 . . . . 23.74 113.182 179.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . 0.257 74.1 m-85 -80.1 160.78 25.64 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 117.687 -3.133 . . . . 20.72 111.521 178.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -73.59 160.36 31.75 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 115.562 -2.161 . . . . 20.39 106.972 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 8.5 m-20 -55.72 -47.16 77.36 Favored 'General case' 0 CA--C 1.56 1.333 1 O-C-N 130.272 4.732 . . . . 33.26 105.871 179.381 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.0 -51.36 24.22 Favored 'General case' 0 C--O 1.269 2.11 1 C-N-CA 132.01 4.124 . . . . 25.01 120.61 -178.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . 0.441 HG12 ' HB2' ' A' ' 40' ' ' SER . 8.5 tt -74.94 -33.04 28.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 122.984 1.373 . . . . 21.68 109.642 -178.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.74 -42.0 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 114.206 -1.361 . . . . 23.44 109.354 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 11.4 mtmt -78.61 -25.0 45.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 126.56 2.412 . . . . 37.55 114.25 -175.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HG3' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -63.12 -37.76 88.5 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 104.154 -2.536 . . . . 35.7 104.154 178.751 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.18 41.09 27.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 131.078 3.751 . . . . 35.03 111.911 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 39' ' ' HIS . 76.1 t -58.79 139.37 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 124.883 2.278 . . . . 37.21 111.948 178.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . 0.766 HD23 ' CE1' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -108.74 115.57 30.34 Favored 'General case' 0 N--CA 1.491 1.597 1 N-CA-C 99.958 -4.09 . . . . 39.01 99.958 175.056 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -78.39 104.23 8.85 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 127.578 3.049 . . . . 32.73 118.384 -174.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 63' ' ' ASN . 12.2 p30 -121.68 154.7 36.5 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 111.729 -2.487 . . . . 39.06 107.602 177.007 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.671 ' HG2' ' NZ ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -46.86 -24.19 0.55 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 118.796 0.725 . . . . 39.46 111.564 176.938 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' OD1' ' HB ' ' A' ' -5' ' ' THR . 2.9 m120 -84.7 -35.26 22.66 Favored 'General case' 0 C--O 1.27 2.183 0 O-C-N 117.133 -3.479 . . . . 38.44 114.686 -178.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . 0.552 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -67.99 -48.35 66.02 Favored 'General case' 0 C--N 1.287 -2.146 0 C-N-CA 128.09 2.556 . . . . 40.04 107.829 178.48 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.0 tpp -53.08 -32.97 49.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 108.713 -3.858 . . . . 23.57 110.067 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.8 t -79.67 -38.18 34.18 Favored 'General case' 0 C--O 1.281 2.738 0 O-C-N 119.392 -2.068 . . . . 18.02 114.071 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -68.46 -42.16 79.15 Favored 'General case' 0 C--O 1.203 -1.349 0 C-N-CA 116.53 -2.068 . . . . 45.41 107.007 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -49.55 -57.44 7.09 Favored 'General case' 0 C--O 1.265 1.891 0 O-C-N 129.015 3.947 . . . . 25.48 111.791 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.321 67.0 mt -62.85 -22.62 66.81 Favored 'General case' 0 CA--C 1.485 -1.524 0 N-CA-C 114.582 1.327 . . . . 18.5 114.582 179.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.0 m -66.29 -38.13 87.04 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 119.771 -1.83 . . . . 18.92 111.104 176.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -170.55 86.56 0.52 Allowed Pre-proline 0 C--O 1.258 1.523 0 N-CA-C 106.321 -1.733 . . . . 29.34 106.321 -174.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -48.38 -54.35 5.43 Favored 'Trans proline' 0 C--O 1.261 1.661 0 O-C-N 127.068 3.141 . . . . 22.21 117.021 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 115.258 1.577 . . . . 26.6 115.258 -178.506 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . 0.606 ' NZ ' ' O ' ' A' ' 149' ' ' HOH . 10.9 tptt -70.73 -35.79 72.87 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 105.517 -2.031 . . . . 29.59 105.517 177.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -81.97 -34.08 29.92 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 120.029 -1.669 . . . . 27.62 114.393 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . 0.42 HG12 ' HG3' ' A' ' 55' ' ' LYS 0.264 10.9 mt -137.51 81.61 29.78 Favored Pre-proline 0 N--CA 1.505 2.282 0 CA-C-O 124.784 2.231 . . . . 23.31 106.613 179.366 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -62.13 134.29 48.42 Favored 'Trans proline' 0 C--O 1.25 1.101 0 N-CA-C 105.33 -2.604 . . . . 19.03 105.33 -173.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.06 -19.26 35.33 Favored Glycine 0 N--CA 1.486 2.024 0 C-N-CA 114.62 -3.657 . . . . 17.7 110.168 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -58.43 142.5 48.37 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 118.505 -1.278 . . . . 18.09 110.362 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -83.34 -8.07 59.48 Favored 'General case' 0 C--N 1.286 -2.182 0 C-N-CA 128.221 2.609 . . . . 19.75 111.0 174.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 ttt -60.57 110.94 1.41 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 114.527 -2.654 . . . . 17.63 108.928 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . 0.398 . . -93.62 80.19 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 121.143 1.792 . . . . 19.16 114.184 177.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -141.34 125.1 16.93 Favored 'General case' 0 C--O 1.26 1.655 0 CA-C-N 114.575 -1.193 . . . . 21.77 107.89 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.53 -49.84 69.99 Favored Glycine 0 C--O 1.27 2.354 0 CA-C-O 116.03 -2.539 . . . . 29.25 111.414 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.41 174.4 13.89 Favored Glycine 0 N--CA 1.51 3.595 0 N-CA-C 107.45 -2.26 . . . . 24.2 107.45 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 90' ' ' ASP . 9.4 mt -123.41 97.56 5.46 Favored 'General case' 0 CA--C 1.565 1.526 0 C-N-CA 130.981 3.712 . . . . 24.13 104.053 178.739 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -70.66 -33.51 71.04 Favored 'General case' 0 C--O 1.258 1.504 0 C-N-CA 127.924 2.49 . . . . 47.21 115.498 -176.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -83.26 129.88 35.04 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 121.181 0.515 . . . . 32.47 110.536 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -62.43 -38.77 91.02 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.945 -1.025 . . . . 26.31 110.989 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -58.33 -45.2 88.53 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 117.842 -1.543 . . . . 29.39 112.269 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . 0.411 ' HB3' HD22 ' A' ' 85' ' ' LEU . 90.2 m-20 -60.82 -38.88 86.93 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 120.756 1.616 . . . . 20.8 113.939 178.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.414 ' O ' HD12 ' A' ' 95' ' ' ILE . 87.4 mtm-85 -63.25 -42.74 99.23 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.389 -1.278 . . . . 19.14 109.778 178.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.58 -46.98 71.07 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 128.094 3.371 . . . . 18.41 109.163 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -57.06 -53.13 61.54 Favored 'General case' 0 C--O 1.261 1.702 1 O-C-N 129.146 4.029 . . . . 17.77 108.387 177.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.303 15.0 tp -56.47 -49.29 75.08 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 113.877 -2.963 . . . . 12.2 115.277 -178.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . 0.522 ' O ' ' HB2' ' A' ' 99' ' ' LYS . 6.0 mt -60.89 -30.42 47.37 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 CA-C-N 125.149 3.613 . . . . 20.69 112.341 177.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.2 m -63.02 -45.1 93.91 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 119.435 -2.041 . . . . 21.66 106.565 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -66.07 -46.92 76.02 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 124.939 2.304 . . . . 18.34 110.535 -178.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.42 -57.52 10.98 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 111.137 -2.756 . . . . 29.26 109.094 -176.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . 0.671 ' NZ ' ' HG2' ' A' ' 61' ' ' GLU . 6.4 tttm -44.75 -36.76 3.35 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-O 126.088 2.852 . . . . 41.33 108.92 178.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -82.62 -47.92 11.53 Favored 'General case' 0 C--O 1.28 2.667 0 O-C-N 118.593 -2.567 . . . . 38.75 115.953 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.02 -23.3 55.19 Favored 'General case' 0 C--O 1.27 2.171 0 CA-C-O 113.732 -3.032 . . . . 22.51 116.71 -177.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.8 p -88.4 -0.16 56.87 Favored 'General case' 0 C--N 1.269 -2.917 0 C-N-CA 129.525 3.13 . . . . 23.16 115.541 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.256 11.5 tp10 . . . . . 0 N--CA 1.422 -1.859 0 CA-C-O 113.484 -3.15 . . . . 33.38 115.055 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . 0.606 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 195' ' ' HOH . . . . . 0.41 ' O ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . 0.519 ' O ' ' HB3' ' A' ' -4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' THR . . . . . 0.791 ' HB ' HD21 ' A' ' 62' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 103.598 -2.742 . . . . 54.19 103.598 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.519 ' HB3' ' O ' ' A' ' 214' ' ' HOH . 2.9 mt-10 -166.38 18.78 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 O-C-N 128.648 3.717 . . . . 57.42 108.072 177.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -133.81 124.67 26.96 Favored 'General case' 0 CA--C 1.574 1.871 1 C-N-CA 134.975 5.31 . . . . 46.43 102.887 178.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -120.39 145.22 47.39 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 128.779 3.799 . . . . 47.5 104.042 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -58.73 146.1 37.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 125.592 1.808 . . . . 30.83 108.883 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -127.38 -150.8 7.52 Favored Glycine 0 N--CA 1.434 -1.468 0 O-C-N 127.633 3.083 . . . . 26.18 108.079 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.621 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 47.2 t -92.12 114.51 27.07 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-N 113.15 -1.525 . . . . 24.06 111.591 -178.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.1 -42.68 96.8 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-O 114.074 -2.87 . . . . 20.16 107.951 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.42 -48.37 81.49 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 126.047 2.092 . . . . 32.71 111.251 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 2' ' ' SER 0.255 8.9 mmtt -57.13 -45.59 83.39 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 126.75 3.167 . . . . 38.85 110.34 177.786 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.96 -41.84 98.04 Favored Glycine 0 N--CA 1.43 -1.732 2 CA-C-O 109.335 -6.259 . . . . 16.58 110.551 178.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.25 -37.2 84.95 Favored 'General case' 0 C--N 1.298 -1.668 1 O-C-N 130.567 4.334 . . . . 16.7 112.236 178.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.274 72.1 p -78.43 -25.09 45.9 Favored 'General case' 0 C--O 1.253 1.252 0 O-C-N 125.201 1.563 . . . . 21.24 112.822 179.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -42.4 70.51 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 103.552 -2.759 . . . . 22.08 103.552 176.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -58.45 -50.73 72.65 Favored 'General case' 0 N--CA 1.521 3.11 0 CA-C-N 111.836 -2.438 . . . . 14.69 109.367 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.286 18.9 mtmt -60.64 -40.27 91.36 Favored 'General case' 0 C--O 1.259 1.577 0 C-N-CA 114.665 -2.814 . . . . 28.01 111.158 -178.536 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.262 63.2 p -82.26 -22.57 35.72 Favored 'General case' 0 C--O 1.264 1.823 0 O-C-N 118.341 -2.724 . . . . 24.03 115.065 -177.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -119.79 -15.13 8.93 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 118.427 2.751 . . . . 40.46 118.427 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . 0.347 80.1 m -126.48 -24.47 3.61 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 116.225 -2.19 . . . . 11.82 111.785 -177.55 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.67 -34.81 71.66 Favored 'General case' 0 C--O 1.258 1.547 0 O-C-N 125.001 1.438 . . . . 12.75 113.473 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -44.4 -42.76 7.16 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 111.6 -2.546 . . . . 19.79 110.09 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.1 m -111.96 -11.52 13.85 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 118.797 2.888 . . . . 12.56 118.797 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -140.2 158.28 44.29 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 123.89 1.805 . . . . 11.4 115.357 -177.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.9 p -116.29 161.24 19.3 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 105.52 -2.03 . . . . 11.28 105.52 174.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 195' ' ' HOH . 0.7 OUTLIER -123.71 -12.6 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 116.72 -1.992 . . . . 18.12 108.197 -179.049 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -73.74 151.82 40.55 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 127.677 3.608 . . . . 35.25 114.957 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -62.76 121.76 14.22 Favored 'General case' 0 C--O 1.258 1.542 0 O-C-N 117.713 -3.117 . . . . 30.78 105.285 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.52 15.45 71.11 Favored Glycine 1 N--CA 1.545 5.953 1 C-N-CA 112.355 -4.736 . . . . 22.05 114.242 -179.38 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.85 151.56 19.54 Favored Glycine 0 CA--C 1.57 3.511 1 N-CA-C 101.469 -4.653 . . . . 18.58 101.469 176.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -86.6 165.45 9.17 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 N-CA-C 118.381 2.416 . . . . 16.92 118.381 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 24.8 m-70 -77.47 144.5 37.72 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 104.026 -2.583 . . . . 13.8 104.026 173.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -124.79 -125.34 0.25 Allowed 'General case' 0 C--O 1.303 3.9 0 O-C-N 127.897 3.248 . . . . 15.46 103.138 175.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.06 -50.74 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.288 0 N-CA-C 108.062 -1.088 . . . . 12.86 108.062 171.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.22 168.38 15.58 Favored Glycine 0 C--N 1.368 2.307 0 O-C-N 126.995 2.685 . . . . 11.54 107.425 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -74.51 158.02 44.35 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 CA-C-O 115.391 -2.004 . . . . 12.71 112.514 -177.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.09 137.7 58.33 Favored 'General case' 0 N--CA 1.499 1.999 1 O-C-N 129.42 4.2 . . . . 15.41 103.968 173.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.6 mt -99.91 7.52 44.81 Favored 'General case' 0 C--O 1.271 2.206 1 O-C-N 129.4 4.188 . . . . 15.45 113.132 -177.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -51.93 132.31 32.03 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 124.944 2.307 . . . . 26.37 109.575 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.11 34.51 84.21 Favored Glycine 0 N--CA 1.418 -2.552 0 CA-C-O 115.62 -2.766 . . . . 19.26 115.298 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 tp -72.53 -25.31 22.65 Favored 'Isoleucine or valine' 0 C--O 1.275 2.43 0 N-CA-C 117.93 2.567 . . . . 22.37 117.93 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -73.33 136.01 44.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.247 -0.908 . . . . 24.89 109.16 -177.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.06 -4.16 63.07 Favored Glycine 0 N--CA 1.491 2.349 0 CA-C-O 116.407 -2.329 . . . . 28.14 114.564 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.26 157.75 15.8 Favored 'General case' 0 N--CA 1.508 2.456 0 N-CA-C 103.691 -2.707 . . . . 35.83 103.691 178.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.766 ' CE1' HD23 ' A' ' 58' ' ' LEU . 75.3 m80 -91.05 163.87 14.15 Favored 'General case' 0 C--O 1.257 1.466 0 N-CA-C 105.018 -2.215 . . . . 25.26 105.018 177.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . 0.441 ' HB2' HG12 ' A' ' 52' ' ' ILE . 23.1 p -67.02 145.2 55.64 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 127.813 3.195 . . . . 21.89 111.69 178.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.55 37.4 62.17 Favored Glycine 0 C--O 1.252 1.256 0 CA-C-O 116.249 -2.417 . . . . 18.79 116.406 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.53 5.63 6.86 Favored 'General case' 0 C--O 1.248 0.985 1 CA-C-N 126.392 5.096 . . . . 30.88 118.48 -176.848 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.17 141.11 50.71 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 102.556 -3.127 . . . . 18.64 102.556 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -86.28 152.78 22.49 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 114.811 -2.756 . . . . 43.9 108.047 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.02 6.98 89.08 Favored Glycine 0 C--O 1.266 2.153 0 CA-C-O 114.695 -3.281 . . . . 17.4 112.968 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.438 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 51.4 t80 -118.6 130.89 56.13 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 121.494 2.647 . . . . 16.41 114.489 178.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 t -82.88 89.31 6.82 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 125.128 2.394 . . . . 23.74 113.182 179.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . 0.257 74.1 m-85 -80.1 160.78 25.64 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 117.687 -3.133 . . . . 20.72 111.521 178.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -73.59 160.36 31.75 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 115.562 -2.161 . . . . 20.39 106.972 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 8.5 m-20 -55.72 -47.16 77.36 Favored 'General case' 0 CA--C 1.56 1.333 1 O-C-N 130.272 4.732 . . . . 33.26 105.871 179.381 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.0 -51.36 24.22 Favored 'General case' 0 C--O 1.269 2.11 1 C-N-CA 132.01 4.124 . . . . 25.01 120.61 -178.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.441 HG12 ' HB2' ' A' ' 40' ' ' SER . 8.5 tt -74.94 -33.04 28.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 122.984 1.373 . . . . 21.68 109.642 -178.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.74 -42.0 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 114.206 -1.361 . . . . 23.44 109.354 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 11.4 mtmt -78.61 -25.0 45.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 126.56 2.412 . . . . 37.55 114.25 -175.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HG3' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -63.12 -37.76 88.5 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 104.154 -2.536 . . . . 35.7 104.154 178.751 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 51.18 41.09 27.37 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 131.078 3.751 . . . . 35.03 111.911 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 39' ' ' HIS . 76.1 t -58.79 139.37 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 124.883 2.278 . . . . 37.21 111.948 178.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.766 HD23 ' CE1' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -108.74 115.57 30.34 Favored 'General case' 0 N--CA 1.491 1.597 1 N-CA-C 99.958 -4.09 . . . . 39.01 99.958 175.056 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -78.39 104.23 8.85 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 127.578 3.049 . . . . 32.73 118.384 -174.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 63' ' ' ASN . 12.2 p30 -121.68 154.7 36.5 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 111.729 -2.487 . . . . 39.06 107.602 177.007 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.671 ' HG2' ' NZ ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -46.86 -24.19 0.55 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 118.796 0.725 . . . . 39.46 111.564 176.938 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.791 HD21 ' HB ' ' A' ' -5' ' ' THR . 27.6 m-20 -84.7 -35.26 22.66 Favored 'General case' 0 C--O 1.27 2.183 0 O-C-N 117.133 -3.479 . . . . 38.44 114.686 -178.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.552 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -67.99 -48.35 66.02 Favored 'General case' 0 C--N 1.287 -2.146 0 C-N-CA 128.09 2.556 . . . . 40.04 107.829 178.48 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.0 tpp -53.08 -32.97 49.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 108.713 -3.858 . . . . 23.57 110.067 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.8 t -79.67 -38.18 34.18 Favored 'General case' 0 C--O 1.281 2.738 0 O-C-N 119.392 -2.068 . . . . 18.02 114.071 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -68.46 -42.16 79.15 Favored 'General case' 0 C--O 1.203 -1.349 0 C-N-CA 116.53 -2.068 . . . . 45.41 107.007 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -49.55 -57.44 7.09 Favored 'General case' 0 C--O 1.265 1.891 0 O-C-N 129.015 3.947 . . . . 25.48 111.791 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.321 67.0 mt -62.85 -22.62 66.81 Favored 'General case' 0 CA--C 1.485 -1.524 0 N-CA-C 114.582 1.327 . . . . 18.5 114.582 179.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.0 m -66.29 -38.13 87.04 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 119.771 -1.83 . . . . 18.92 111.104 176.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -170.55 86.56 0.52 Allowed Pre-proline 0 C--O 1.258 1.523 0 N-CA-C 106.321 -1.733 . . . . 29.34 106.321 -174.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -48.38 -54.35 5.43 Favored 'Trans proline' 0 C--O 1.261 1.661 0 O-C-N 127.068 3.141 . . . . 22.21 117.021 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 115.258 1.577 . . . . 26.6 115.258 -178.506 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.606 ' NZ ' ' O ' ' A' ' 149' ' ' HOH . 10.9 tptt -70.73 -35.79 72.87 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 105.517 -2.031 . . . . 29.59 105.517 177.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -81.97 -34.08 29.92 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 120.029 -1.669 . . . . 27.62 114.393 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.42 HG12 ' HG3' ' A' ' 55' ' ' LYS 0.264 10.9 mt -137.51 81.61 29.78 Favored Pre-proline 0 N--CA 1.505 2.282 0 CA-C-O 124.784 2.231 . . . . 23.31 106.613 179.366 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -62.13 134.29 48.42 Favored 'Trans proline' 0 C--O 1.25 1.101 0 N-CA-C 105.33 -2.604 . . . . 19.03 105.33 -173.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.06 -19.26 35.33 Favored Glycine 0 N--CA 1.486 2.024 0 C-N-CA 114.62 -3.657 . . . . 17.7 110.168 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -58.43 142.5 48.37 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 118.505 -1.278 . . . . 18.09 110.362 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -83.34 -8.07 59.48 Favored 'General case' 0 C--N 1.286 -2.182 0 C-N-CA 128.221 2.609 . . . . 19.75 111.0 174.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 ttt -60.57 110.94 1.41 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 114.527 -2.654 . . . . 17.63 108.928 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . 0.398 . . -93.62 80.19 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 121.143 1.792 . . . . 19.16 114.184 177.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -141.34 125.1 16.93 Favored 'General case' 0 C--O 1.26 1.655 0 CA-C-N 114.575 -1.193 . . . . 21.77 107.89 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.53 -49.84 69.99 Favored Glycine 0 C--O 1.27 2.354 0 CA-C-O 116.03 -2.539 . . . . 29.25 111.414 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.41 174.4 13.89 Favored Glycine 0 N--CA 1.51 3.595 0 N-CA-C 107.45 -2.26 . . . . 24.2 107.45 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 90' ' ' ASP . 9.4 mt -123.41 97.56 5.46 Favored 'General case' 0 CA--C 1.565 1.526 0 C-N-CA 130.981 3.712 . . . . 24.13 104.053 178.739 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -70.66 -33.51 71.04 Favored 'General case' 0 C--O 1.258 1.504 0 C-N-CA 127.924 2.49 . . . . 47.21 115.498 -176.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -83.26 129.88 35.04 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 121.181 0.515 . . . . 32.47 110.536 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -62.43 -38.77 91.02 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.945 -1.025 . . . . 26.31 110.989 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -58.33 -45.2 88.53 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 117.842 -1.543 . . . . 29.39 112.269 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.411 ' HB3' HD22 ' A' ' 85' ' ' LEU . 90.2 m-20 -60.82 -38.88 86.93 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 120.756 1.616 . . . . 20.8 113.939 178.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.414 ' O ' HD12 ' A' ' 95' ' ' ILE . 87.4 mtm-85 -63.25 -42.74 99.23 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.389 -1.278 . . . . 19.14 109.778 178.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.58 -46.98 71.07 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 128.094 3.371 . . . . 18.41 109.163 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -57.06 -53.13 61.54 Favored 'General case' 0 C--O 1.261 1.702 1 O-C-N 129.146 4.029 . . . . 17.77 108.387 177.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.303 15.0 tp -56.47 -49.29 75.08 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 113.877 -2.963 . . . . 12.2 115.277 -178.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.522 ' O ' ' HB2' ' A' ' 99' ' ' LYS . 6.0 mt -60.89 -30.42 47.37 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 CA-C-N 125.149 3.613 . . . . 20.69 112.341 177.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.2 m -63.02 -45.1 93.91 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 119.435 -2.041 . . . . 21.66 106.565 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -66.07 -46.92 76.02 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 124.939 2.304 . . . . 18.34 110.535 -178.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.42 -57.52 10.98 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 111.137 -2.756 . . . . 29.26 109.094 -176.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.671 ' NZ ' ' HG2' ' A' ' 61' ' ' GLU . 6.4 tttm -44.75 -36.76 3.35 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-O 126.088 2.852 . . . . 41.33 108.92 178.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -82.62 -47.92 11.53 Favored 'General case' 0 C--O 1.28 2.667 0 O-C-N 118.593 -2.567 . . . . 38.75 115.953 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.02 -23.3 55.19 Favored 'General case' 0 C--O 1.27 2.171 0 CA-C-O 113.732 -3.032 . . . . 22.51 116.71 -177.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.8 p -88.4 -0.16 56.87 Favored 'General case' 0 C--N 1.269 -2.917 0 C-N-CA 129.525 3.13 . . . . 23.16 115.541 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.256 11.5 tp10 . . . . . 0 N--CA 1.422 -1.859 0 CA-C-O 113.484 -3.15 . . . . 33.38 115.055 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . 0.606 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' HOH . . . . . 0.41 ' O ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . 0.519 ' O ' ' HB3' ' A' ' -4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_