data_1b56_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 1b56 _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 ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 109.876 -0.416 . . . . 82.17 109.876 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.43 -29.77 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 N-CA-C 112.336 0.495 . . . . 48.57 112.336 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -58.57 -31.05 67.65 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.788 -0.449 . . . . 77.97 109.788 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.9 -7.06 9.89 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.695 0.998 . . . . 50.05 113.695 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -98.62 -8.62 26.03 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.589 -0.522 . . . . 28.01 109.589 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.3 143.0 58.21 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 114.32 1.23 . . . . 33.65 114.32 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.48 173.92 13.53 Favored Glycine 0 N--CA 1.446 -0.66 0 O-C-N 124.337 1.023 . . . . 28.76 111.788 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -95.99 123.85 39.76 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 107.122 -1.436 . . . . 26.71 107.122 178.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -115.24 145.48 42.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.481 -0.327 . . . . 23.01 110.826 -178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -115.13 141.95 47.31 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.388 -0.597 . . . . 52.69 109.388 178.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.79 123.56 22.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 30.28 111.789 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.1 -24.81 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.65 -0.42 . . . . 41.58 110.115 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -156.67 147.03 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.411 -0.516 . . . . 50.19 112.376 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . 0.575 ' HG ' HH11 ' A' ' 129' ' ' ARG . 46.2 t -134.97 148.61 50.05 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.36 -0.978 . . . . 26.85 108.36 179.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HZ3' ' CB ' ' A' ' 17' ' ' LYS . 4.7 ttmp? -157.11 125.88 5.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.227 -0.442 . . . . 51.14 110.297 -179.129 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.11 -8.65 60.01 Favored Glycine 0 CA--C 1.506 -0.509 0 CA-C-N 115.886 -0.597 . . . . 16.19 114.528 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -53.92 -43.53 69.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.124 0.787 . . . . 23.75 113.124 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.26 -35.17 79.46 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.059 0.762 . . . . 36.37 113.059 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.68 -39.33 84.46 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.874 0.845 . . . . 64.89 110.874 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -63.01 -56.36 17.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.335 -1.302 . . . . 31.72 109.875 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.4 mtm -50.37 -42.78 53.78 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.452 -0.573 . . . . 27.6 109.452 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HZ1' ' H1 ' ' A' ' 202' ' ' HOH . 77.7 mttt -60.59 -45.93 92.14 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.696 -0.853 . . . . 34.96 108.696 178.96 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -57.19 -36.86 71.34 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.401 -0.818 . . . . 30.65 110.64 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -71.67 -31.71 67.1 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.132 -0.227 . . . . 26.44 111.104 179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.45 10.63 26.95 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.324 -0.465 . . . . 33.75 113.643 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.17 135.6 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 C-N-CA 123.39 0.676 . . . . 31.06 109.99 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.57 171.92 55.18 Favored Glycine 0 C--N 1.333 0.39 0 CA-C-O 118.837 -0.979 . . . . 30.91 114.19 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -42.66 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 118.326 2.713 . . . . 26.79 118.326 -178.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.7 -57.73 5.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.47 -0.567 . . . . 37.34 109.47 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.63 -36.91 65.48 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.65 -0.25 . . . . 47.18 111.373 -179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -59.06 -38.84 80.34 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.054 -0.658 . . . . 31.96 110.934 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -71.09 -42.49 69.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.649 0.262 . . . . 54.86 110.92 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' A' ' 60' ' ' LEU . 57.3 ttp -58.89 -52.62 64.94 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.112 -0.699 . . . . 62.21 109.112 178.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.57 85.47 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 110.982 -0.847 . . . . 55.18 110.982 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.32 -20.77 63.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.537 0.94 . . . . 65.22 113.537 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.2 ptp -118.16 -5.03 10.94 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 116.173 1.916 . . . . 103.36 116.173 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.91 139.68 32.44 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.541 -1.651 . . . . 27.69 106.541 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -114.91 75.84 4.04 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 103.183 -2.895 . . . . 67.92 103.183 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -70.32 165.53 31.32 Favored 'Trans proline' 0 C--O 1.24 0.594 0 N-CA-C 117.636 2.129 . . . . 28.61 117.636 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.75 143.33 34.99 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 102.983 -2.969 . . . . 29.71 102.983 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.1 t -122.48 108.53 13.27 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.644 -0.873 . . . . 27.85 108.644 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.24 123.85 49.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.188 -1.412 . . . . 16.36 107.188 179.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 61.4 mt -119.08 125.08 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 107.952 -1.129 . . . . 16.87 107.952 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -135.92 145.75 46.59 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.087 -1.079 . . . . 13.96 108.087 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -126.28 150.92 48.13 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.279 0.562 . . . . 48.68 111.255 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -141.35 91.25 2.37 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 106.82 -1.548 . . . . 77.68 106.82 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.74 -96.51 0.95 Allowed Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 109.765 -1.334 . . . . 38.6 109.765 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -118.71 -14.49 9.54 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 107.935 -1.135 . . . . 46.65 107.935 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -75.18 143.7 43.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 105.696 -1.964 . . . . 82.83 105.696 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -145.95 135.88 23.54 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.019 -0.272 . . . . 37.61 111.594 -179.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 m -120.39 138.88 53.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.142 -0.481 . . . . 29.77 110.752 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.1 mt -128.46 115.65 38.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 105.447 -2.057 . . . . 16.64 105.447 177.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -116.3 129.87 56.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.955 -0.566 . . . . 22.41 111.247 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.5 m -107.82 131.01 54.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.142 -0.688 . . . . 25.5 109.142 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -131.13 131.22 43.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 113.793 1.034 . . . . 25.37 113.793 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.2 p -163.63 164.61 23.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 105.318 -2.104 . . . . 34.92 105.318 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.0 p -70.36 -40.47 74.02 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 107.0 -1.481 . . . . 59.68 107.0 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' SD ' ' A' ' 35' ' ' MET . 25.7 mt -70.5 -17.7 62.96 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.029 1.492 . . . . 53.43 115.029 179.302 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HZ1' ' CE ' ' A' ' 35' ' ' MET . 2.6 tppp? -172.91 144.23 1.28 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 116.828 2.158 . . . . 76.03 116.828 178.42 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.4 m -138.26 113.62 9.5 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.497 1.119 . . . . 44.67 110.736 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 m -125.8 163.67 22.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.93 -0.766 . . . . 47.96 108.93 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -169.11 140.93 2.5 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 112.4 0.518 . . . . 48.03 112.4 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -150.07 156.79 42.3 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.232 -0.284 . . . . 21.06 110.232 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.1 m -125.03 152.28 44.48 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.369 -1.345 . . . . 50.28 107.369 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 87' ' ' CYS . 31.7 p -158.11 155.39 29.09 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.513 0.508 . . . . 36.55 111.213 179.436 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.7 m -103.6 133.84 47.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 103.663 -2.717 . . . . 30.0 103.663 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.96 140.5 42.89 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.041 -1.463 . . . . 35.27 110.539 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.14 -8.97 49.65 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 116.257 1.263 . . . . 42.8 116.257 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -107.86 132.79 53.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.553 1.176 . . . . 79.96 112.948 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -76.69 145.63 38.6 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.143 -0.481 . . . . 46.86 109.888 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -153.28 161.28 42.54 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 112.262 0.467 . . . . 21.6 112.262 -179.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -85.1 115.78 23.1 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 123.179 0.3 . . . . 52.53 110.364 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -106.61 131.41 53.8 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 112.247 0.462 . . . . 30.43 112.247 -179.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . 0.425 ' HG1' ' HZ2' ' A' ' 82' ' ' LYS . 47.3 m -99.76 98.08 8.94 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.159 -2.164 . . . . 25.31 105.159 176.863 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.3 p -65.68 154.54 38.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.141 -0.936 . . . . 21.12 113.039 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.02 -30.16 14.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.35 0.87 . . . . 15.99 113.35 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -88.79 2.0 54.29 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.349 1.24 . . . . 29.01 114.349 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.58 11.76 49.95 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 119.721 2.648 . . . . 21.26 119.721 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . 0.428 HH22 ' H2 ' ' A' ' 213' ' ' HOH . 49.9 mtm180 -87.71 142.89 27.48 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 121.895 -0.768 . . . . 26.03 109.169 179.881 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' HZ2' ' HG1' ' A' ' 76' ' ' THR . 67.1 mmtt -102.76 127.43 49.91 Favored 'General case' 0 C--N 1.321 -0.672 1 N-CA-C 97.755 -4.906 . . . . 29.25 97.755 175.693 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.3 p -134.28 162.02 33.32 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.292 0.568 . . . . 18.54 111.99 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -100.36 92.84 5.36 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 102.767 -3.049 . . . . 52.45 102.767 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.1 m -98.8 148.59 23.74 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.603 -1.181 . . . . 31.95 113.039 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.5 t -137.25 137.27 46.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 102.686 -3.079 . . . . 31.04 102.686 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 98.3 m -118.89 132.8 56.11 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 102.438 -3.171 . . . . 32.48 102.438 178.534 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -149.71 127.36 11.66 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.107 -0.701 . . . . 56.42 109.107 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -85.38 104.02 14.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.443 -0.947 . . . . 38.85 108.443 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 t -134.64 152.44 51.77 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.766 -0.652 . . . . 58.62 110.954 -179.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . . . 50.61 25.51 2.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 115.47 1.656 . . . . 67.09 115.47 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.65 14.58 63.09 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 116.09 1.196 . . . . 54.78 116.09 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.14 158.34 43.7 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 117.215 0.507 . . . . 35.51 110.935 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 tp -91.25 124.02 35.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 105.513 -2.032 . . . . 39.7 105.513 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.7 t -111.98 121.13 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.776 -0.37 . . . . 24.46 110.838 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -108.25 91.98 3.87 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.515 -0.55 . . . . 25.46 109.515 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -88.49 125.32 34.7 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.449 -0.157 . . . . 51.56 111.051 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -111.75 153.48 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.747 0.419 . . . . 15.75 110.658 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -147.83 129.78 15.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.362 -0.607 . . . . 50.16 109.362 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -162.72 144.14 10.16 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.584 -0.895 . . . . 18.18 108.584 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 40.89 39.4 0.81 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.584 2.068 . . . . 93.27 116.584 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.77 -9.2 57.16 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.658 -0.782 . . . . 28.53 114.95 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -95.72 159.08 15.16 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.342 0.657 . . . . 35.82 110.472 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -137.22 162.72 32.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.218 -1.03 . . . . 57.87 108.218 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -168.46 151.69 5.53 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 106.412 -1.699 . . . . 19.8 106.412 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.38 136.75 26.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.566 0.698 . . . . 15.4 110.659 178.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.9 mm -112.21 130.08 66.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 104.069 -2.567 . . . . 32.04 104.069 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.1 m -119.7 127.22 52.67 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 121.12 0.486 . . . . 33.55 110.063 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ARG . . . . . 0.611 HH22 ' H1 ' ' A' ' 211' ' ' HOH . 75.3 mtt85 -117.38 124.43 48.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.395 -0.595 . . . . 30.85 109.395 -178.729 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -140.33 154.18 46.69 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.816 -0.754 . . . . 52.12 111.088 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.74 133.45 33.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 106.79 -1.559 . . . . 49.52 106.79 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -154.68 120.65 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 92.42 111.826 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 55.87 32.2 19.21 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.699 1.0 . . . . 77.68 113.699 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.47 -17.55 58.79 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 116.238 1.255 . . . . 42.26 116.238 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 157.78 23.18 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.53 -0.868 . . . . 48.94 112.847 179.468 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.6 tp -85.2 122.66 29.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.766 -1.568 . . . . 35.16 106.766 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 85.0 t -111.6 113.01 43.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 108.738 -0.838 . . . . 21.38 108.738 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.32 125.52 57.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 115.182 -0.917 . . . . 30.63 110.074 -179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -125.25 130.52 52.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.737 -0.838 . . . . 48.74 108.737 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' A' ' 127' ' ' CYS . 21.8 p -115.36 145.87 42.11 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.593 -0.843 . . . . 43.47 109.605 178.334 55.571 -62.752 140.413 117.523 2.317 87.629 -114.999 96.667 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.0 p -142.75 142.84 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-O 121.313 0.577 . . . . 20.43 111.829 -178.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.8 ttt -159.43 119.79 3.1 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 105.125 -2.176 . . . . 19.46 105.125 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 49.98 50.84 17.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.543 1.152 . . . . 20.39 112.905 178.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 70.62 -11.63 0.61 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 116.433 2.012 . . . . 27.88 116.433 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 49.8 t -86.18 122.97 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 106.608 -1.627 . . . . 12.75 106.608 177.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 76.2 p -120.76 178.61 4.64 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 117.543 2.423 . . . . 24.94 117.543 -177.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' A' ' 120' ' ' CYS . 0.5 OUTLIER -150.39 156.6 41.8 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.422 -0.955 . . . . 25.19 108.422 179.398 96.667 -114.999 140.413 87.629 2.317 117.523 -62.752 55.571 3 3 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.1 m -145.73 110.59 5.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.314 0.578 . . . . 36.05 109.742 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ARG . . . . . 0.575 HH11 ' HG ' ' A' ' 16' ' ' SER . 3.9 mmm180 -111.76 134.82 53.07 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.78 -1.563 . . . . 27.52 106.78 -179.23 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.2 mm -111.43 134.68 53.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 107.497 -1.297 . . . . 29.2 107.497 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -126.79 132.94 50.92 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.616 -0.266 . . . . 23.53 111.426 -178.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -106.42 139.94 40.11 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 109.118 -0.697 . . . . 59.32 109.118 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -61.16 138.23 58.22 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.808 0.67 . . . . 47.54 112.808 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.7 t -93.26 119.32 40.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 O-C-N 123.675 0.609 . . . . 28.43 110.726 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 C--O 1.249 1.029 0 C-N-CA 126.012 1.725 . . . . 99.0 111.581 -178.786 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' PLM . . . . . 0.407 ' C1 ' ' H1 ' ' A' ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.462 ' H1 ' ' HZ1' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . 0.611 ' H1 ' HH22 ' A' ' 109' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . 0.428 ' H2 ' HH22 ' A' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . 0.407 ' H1 ' ' C1 ' ' A' ' 136' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . 0.467 ' N ' HE21 ' A' ' 6' ' ' GLN . . . . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 109.876 -0.416 . . . . 82.17 109.876 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.43 -29.77 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 N-CA-C 112.336 0.495 . . . . 48.57 112.336 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -58.57 -31.05 67.65 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.788 -0.449 . . . . 77.97 109.788 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . 0.467 HE21 ' N ' ' A' ' 3' ' ' THR . 33.7 mt-30 -64.9 -7.06 9.89 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.695 0.998 . . . . 50.05 113.695 -179.309 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -98.62 -8.62 26.03 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.589 -0.522 . . . . 28.01 109.589 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.3 143.0 58.21 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 114.32 1.23 . . . . 33.65 114.32 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . 0.536 ' HA3' ' NZ ' ' A' ' 133' ' ' LYS . . . 130.48 173.92 13.53 Favored Glycine 0 N--CA 1.446 -0.66 0 O-C-N 124.337 1.023 . . . . 28.76 111.788 179.297 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -95.99 123.85 39.76 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 107.122 -1.436 . . . . 26.71 107.122 178.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TRP . . . . . 0.631 ' HB3' ' HB3' ' A' ' 131' ' ' TYR . 46.9 m95 -115.24 145.48 42.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.481 -0.327 . . . . 23.01 110.826 -178.616 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -115.13 141.95 47.31 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.388 -0.597 . . . . 52.69 109.388 178.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.79 123.56 22.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 30.28 111.789 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.1 -24.81 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.65 -0.42 . . . . 41.58 110.115 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -156.67 147.03 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.411 -0.516 . . . . 50.19 112.376 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 t -134.97 148.61 50.05 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.36 -0.978 . . . . 26.85 108.36 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 4.7 ttmp? -157.11 125.88 5.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.227 -0.442 . . . . 51.14 110.297 -179.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.11 -8.65 60.01 Favored Glycine 0 CA--C 1.506 -0.509 0 CA-C-N 115.886 -0.597 . . . . 16.19 114.528 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -53.92 -43.53 69.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.124 0.787 . . . . 23.75 113.124 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.26 -35.17 79.46 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.059 0.762 . . . . 36.37 113.059 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.68 -39.33 84.46 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.874 0.845 . . . . 64.89 110.874 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -63.01 -56.36 17.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.335 -1.302 . . . . 31.72 109.875 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.4 mtm -50.37 -42.78 53.78 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.452 -0.573 . . . . 27.6 109.452 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -60.59 -45.93 92.14 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.696 -0.853 . . . . 34.96 108.696 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -57.19 -36.86 71.34 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.401 -0.818 . . . . 30.65 110.64 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 ' SD ' ' A' ' 122' ' ' MET . 77.9 mt -71.67 -31.71 67.1 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.132 -0.227 . . . . 26.44 111.104 179.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.45 10.63 26.95 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.324 -0.465 . . . . 33.75 113.643 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.17 135.6 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 C-N-CA 123.39 0.676 . . . . 31.06 109.99 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.57 171.92 55.18 Favored Glycine 0 C--N 1.333 0.39 0 CA-C-O 118.837 -0.979 . . . . 30.91 114.19 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . 0.449 HG23 ' NH2' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -54.54 -42.66 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 118.326 2.713 . . . . 26.79 118.326 -178.306 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.7 -57.73 5.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.47 -0.567 . . . . 37.34 109.47 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' ' 32' ' ' LEU . 5.3 mp -73.63 -36.91 65.48 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.65 -0.25 . . . . 47.18 111.373 -179.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' NH2' HG23 ' A' ' 30' ' ' ILE . 20.0 mtm-85 -59.06 -38.84 80.34 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.054 -0.658 . . . . 31.96 110.934 178.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 38' ' ' MET . 29.2 mmtp -71.09 -42.49 69.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.649 0.262 . . . . 54.86 110.92 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' MET . . . . . 0.731 ' HG3' ' HB3' ' A' ' 60' ' ' LEU . 57.3 ttp -58.89 -52.62 64.94 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.112 -0.699 . . . . 62.21 109.112 178.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.57 85.47 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 110.982 -0.847 . . . . 55.18 110.982 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.32 -20.77 63.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.537 0.94 . . . . 65.22 113.537 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 20.2 ptp -118.16 -5.03 10.94 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 116.173 1.916 . . . . 103.36 116.173 179.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.91 139.68 32.44 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.541 -1.651 . . . . 27.69 106.541 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -114.91 75.84 4.04 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 103.183 -2.895 . . . . 67.92 103.183 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -70.32 165.53 31.32 Favored 'Trans proline' 0 C--O 1.24 0.594 0 N-CA-C 117.636 2.129 . . . . 28.61 117.636 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.75 143.33 34.99 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 102.983 -2.969 . . . . 29.71 102.983 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.1 t -122.48 108.53 13.27 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.644 -0.873 . . . . 27.85 108.644 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.24 123.85 49.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.188 -1.412 . . . . 16.36 107.188 179.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 61.4 mt -119.08 125.08 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 107.952 -1.129 . . . . 16.87 107.952 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -135.92 145.75 46.59 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.087 -1.079 . . . . 13.96 108.087 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -126.28 150.92 48.13 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.279 0.562 . . . . 48.68 111.255 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -141.35 91.25 2.37 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 106.82 -1.548 . . . . 77.68 106.82 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.74 -96.51 0.95 Allowed Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 109.765 -1.334 . . . . 38.6 109.765 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -118.71 -14.49 9.54 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 107.935 -1.135 . . . . 46.65 107.935 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -75.18 143.7 43.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 105.696 -1.964 . . . . 82.83 105.696 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -145.95 135.88 23.54 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.019 -0.272 . . . . 37.61 111.594 -179.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 m -120.39 138.88 53.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.142 -0.481 . . . . 29.77 110.752 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.1 mt -128.46 115.65 38.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 105.447 -2.057 . . . . 16.64 105.447 177.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -116.3 129.87 56.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.955 -0.566 . . . . 22.41 111.247 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.5 m -107.82 131.01 54.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.142 -0.688 . . . . 25.5 109.142 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -131.13 131.22 43.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 113.793 1.034 . . . . 25.37 113.793 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.2 p -163.63 164.61 23.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 105.318 -2.104 . . . . 34.92 105.318 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.0 p -70.36 -40.47 74.02 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 107.0 -1.481 . . . . 59.68 107.0 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . 0.731 ' HB3' ' HG3' ' A' ' 35' ' ' MET . 25.7 mt -70.5 -17.7 62.96 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.029 1.492 . . . . 53.43 115.029 179.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . 0.649 ' HD3' ' H ' ' A' ' 62' ' ' THR . 2.6 tppp? -172.91 144.23 1.28 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 116.828 2.158 . . . . 76.03 116.828 178.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . 0.649 ' H ' ' HD3' ' A' ' 61' ' ' LYS . 52.4 m -138.26 113.62 9.5 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.497 1.119 . . . . 44.67 110.736 177.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 m -125.8 163.67 22.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.93 -0.766 . . . . 47.96 108.93 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -169.11 140.93 2.5 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 112.4 0.518 . . . . 48.03 112.4 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -150.07 156.79 42.3 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.232 -0.284 . . . . 21.06 110.232 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.1 m -125.03 152.28 44.48 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.369 -1.345 . . . . 50.28 107.369 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' CYS . . . . . 0.591 ' HG ' ' HG ' ' A' ' 87' ' ' CYS . 31.7 p -158.11 155.39 29.09 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.513 0.508 . . . . 36.55 111.213 179.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.7 m -103.6 133.84 47.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 103.663 -2.717 . . . . 30.0 103.663 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.96 140.5 42.89 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.041 -1.463 . . . . 35.27 110.539 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.14 -8.97 49.65 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 116.257 1.263 . . . . 42.8 116.257 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -107.86 132.79 53.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.553 1.176 . . . . 79.96 112.948 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -76.69 145.63 38.6 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.143 -0.481 . . . . 46.86 109.888 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -153.28 161.28 42.54 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 112.262 0.467 . . . . 21.6 112.262 -179.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -85.1 115.78 23.1 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 123.179 0.3 . . . . 52.53 110.364 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -106.61 131.41 53.8 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 112.247 0.462 . . . . 30.43 112.247 -179.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 47.3 m -99.76 98.08 8.94 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.159 -2.164 . . . . 25.31 105.159 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' ' 81' ' ' ARG . 44.3 p -65.68 154.54 38.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.141 -0.936 . . . . 21.12 113.039 -178.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.02 -30.16 14.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.35 0.87 . . . . 15.99 113.35 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -88.79 2.0 54.29 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.349 1.24 . . . . 29.01 114.349 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.58 11.76 49.95 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 119.721 2.648 . . . . 21.26 119.721 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HB2' ' OG1' ' A' ' 77' ' ' THR . 49.9 mtm180 -87.71 142.89 27.48 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 121.895 -0.768 . . . . 26.03 109.169 179.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -102.76 127.43 49.91 Favored 'General case' 0 C--N 1.321 -0.672 1 N-CA-C 97.755 -4.906 . . . . 29.25 97.755 175.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.3 p -134.28 162.02 33.32 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.292 0.568 . . . . 18.54 111.99 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -100.36 92.84 5.36 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 102.767 -3.049 . . . . 52.45 102.767 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.1 m -98.8 148.59 23.74 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.603 -1.181 . . . . 31.95 113.039 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.5 t -137.25 137.27 46.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 102.686 -3.079 . . . . 31.04 102.686 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' CYS . . . . . 0.591 ' HG ' ' HG ' ' A' ' 67' ' ' CYS . 98.3 m -118.89 132.8 56.11 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 102.438 -3.171 . . . . 32.48 102.438 178.534 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -149.71 127.36 11.66 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.107 -0.701 . . . . 56.42 109.107 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -85.38 104.02 14.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.443 -0.947 . . . . 38.85 108.443 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 t -134.64 152.44 51.77 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.766 -0.652 . . . . 58.62 110.954 -179.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . . . 50.61 25.51 2.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 115.47 1.656 . . . . 67.09 115.47 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.65 14.58 63.09 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 116.09 1.196 . . . . 54.78 116.09 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.14 158.34 43.7 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 117.215 0.507 . . . . 35.51 110.935 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 tp -91.25 124.02 35.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 105.513 -2.032 . . . . 39.7 105.513 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.7 t -111.98 121.13 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.776 -0.37 . . . . 24.46 110.838 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -108.25 91.98 3.87 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.515 -0.55 . . . . 25.46 109.515 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -88.49 125.32 34.7 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.449 -0.157 . . . . 51.56 111.051 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -111.75 153.48 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.747 0.419 . . . . 15.75 110.658 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -147.83 129.78 15.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.362 -0.607 . . . . 50.16 109.362 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -162.72 144.14 10.16 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.584 -0.895 . . . . 18.18 108.584 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 40.89 39.4 0.81 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.584 2.068 . . . . 93.27 116.584 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.77 -9.2 57.16 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.658 -0.782 . . . . 28.53 114.95 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 103' ' ' LYS . 31.2 mmtt -95.72 159.08 15.16 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.342 0.657 . . . . 35.82 110.472 179.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -137.22 162.72 32.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.218 -1.03 . . . . 57.87 108.218 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -168.46 151.69 5.53 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 106.412 -1.699 . . . . 19.8 106.412 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.38 136.75 26.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.566 0.698 . . . . 15.4 110.659 178.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.9 mm -112.21 130.08 66.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 104.069 -2.567 . . . . 32.04 104.069 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.1 m -119.7 127.22 52.67 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 121.12 0.486 . . . . 33.55 110.063 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -117.38 124.43 48.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.395 -0.595 . . . . 30.85 109.395 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -140.33 154.18 46.69 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.816 -0.754 . . . . 52.12 111.088 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.74 133.45 33.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 106.79 -1.559 . . . . 49.52 106.79 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -154.68 120.65 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 92.42 111.826 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 55.87 32.2 19.21 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.699 1.0 . . . . 77.68 113.699 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.47 -17.55 58.79 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 116.238 1.255 . . . . 42.26 116.238 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 157.78 23.18 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.53 -0.868 . . . . 48.94 112.847 179.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 131' ' ' TYR . 40.6 tp -85.2 122.66 29.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.766 -1.568 . . . . 35.16 106.766 179.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' VAL . . . . . 0.552 HG22 HD12 ' A' ' 130' ' ' ILE . 85.0 t -111.6 113.01 43.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 108.738 -0.838 . . . . 21.38 108.738 179.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . 0.432 HG11 ' C2 ' ' A' ' 136' ' ' PLM . 57.4 t -103.32 125.52 57.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 115.182 -0.917 . . . . 30.63 110.074 -179.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -125.25 130.52 52.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.737 -0.838 . . . . 48.74 108.737 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' A' ' 127' ' ' CYS . 21.8 p -115.36 145.87 42.11 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.593 -0.843 . . . . 43.47 109.605 178.334 55.571 -62.752 140.413 117.523 2.317 87.629 -114.999 96.667 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.0 p -142.75 142.84 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-O 121.313 0.577 . . . . 20.43 111.829 -178.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' MET . . . . . 0.421 ' SD ' HD23 ' A' ' 26' ' ' LEU . 13.8 ttt -159.43 119.79 3.1 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 105.125 -2.176 . . . . 19.46 105.125 176.011 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 49.98 50.84 17.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.543 1.152 . . . . 20.39 112.905 178.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 70.62 -11.63 0.61 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 116.433 2.012 . . . . 27.88 116.433 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 49.8 t -86.18 122.97 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 106.608 -1.627 . . . . 12.75 106.608 177.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 76.2 p -120.76 178.61 4.64 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 117.543 2.423 . . . . 24.94 117.543 -177.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' A' ' 120' ' ' CYS . 0.5 OUTLIER -150.39 156.6 41.8 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.422 -0.955 . . . . 25.19 108.422 179.398 96.667 -114.999 140.413 87.629 2.317 117.523 -62.752 55.571 3 3 . 1 . 001 ecloud build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.1 m -145.73 110.59 5.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.314 0.578 . . . . 36.05 109.742 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -111.76 134.82 53.07 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.78 -1.563 . . . . 27.52 106.78 -179.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ILE . . . . . 0.552 HD12 HG22 ' A' ' 117' ' ' VAL . 38.2 mm -111.43 134.68 53.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 107.497 -1.297 . . . . 29.2 107.497 179.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' TYR . . . . . 0.631 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 71.4 m-85 -126.79 132.94 50.92 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.616 -0.266 . . . . 23.53 111.426 -178.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -106.42 139.94 40.11 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 109.118 -0.697 . . . . 59.32 109.118 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . 0.536 ' NZ ' ' HA3' ' A' ' 9' ' ' GLY . 42.8 tttp -61.16 138.23 58.22 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.808 0.67 . . . . 47.54 112.808 -178.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.7 t -93.26 119.32 40.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 O-C-N 123.675 0.609 . . . . 28.43 110.726 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 C--O 1.249 1.029 0 C-N-CA 126.012 1.725 . . . . 99.0 111.581 -178.786 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' PLM . . . . . 0.736 ' H32' ' O ' ' A' ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . 0.736 ' O ' ' H32' ' A' ' 136' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 109.876 -0.416 . . . . 82.17 109.876 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.43 -29.77 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 N-CA-C 112.336 0.495 . . . . 48.57 112.336 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -58.57 -31.05 67.65 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.788 -0.449 . . . . 77.97 109.788 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.9 -7.06 9.89 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.695 0.998 . . . . 50.05 113.695 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -98.62 -8.62 26.03 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.589 -0.522 . . . . 28.01 109.589 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.3 143.0 58.21 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 114.32 1.23 . . . . 33.65 114.32 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.536 ' HA3' ' NZ ' ' A' ' 133' ' ' LYS . . . 130.48 173.92 13.53 Favored Glycine 0 N--CA 1.446 -0.66 0 O-C-N 124.337 1.023 . . . . 28.76 111.788 179.297 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -95.99 123.85 39.76 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 107.122 -1.436 . . . . 26.71 107.122 178.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.631 ' HB3' ' HB3' ' A' ' 131' ' ' TYR . 46.9 m95 -115.24 145.48 42.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.481 -0.327 . . . . 23.01 110.826 -178.616 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -115.13 141.95 47.31 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.388 -0.597 . . . . 52.69 109.388 178.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.79 123.56 22.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 30.28 111.789 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.1 -24.81 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.65 -0.42 . . . . 41.58 110.115 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -156.67 147.03 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.411 -0.516 . . . . 50.19 112.376 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 t -134.97 148.61 50.05 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.36 -0.978 . . . . 26.85 108.36 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 4.7 ttmp? -157.11 125.88 5.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.227 -0.442 . . . . 51.14 110.297 -179.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.11 -8.65 60.01 Favored Glycine 0 CA--C 1.506 -0.509 0 CA-C-N 115.886 -0.597 . . . . 16.19 114.528 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -53.92 -43.53 69.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.124 0.787 . . . . 23.75 113.124 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.26 -35.17 79.46 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.059 0.762 . . . . 36.37 113.059 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.68 -39.33 84.46 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.874 0.845 . . . . 64.89 110.874 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -63.01 -56.36 17.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.335 -1.302 . . . . 31.72 109.875 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.4 mtm -50.37 -42.78 53.78 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.452 -0.573 . . . . 27.6 109.452 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -60.59 -45.93 92.14 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.696 -0.853 . . . . 34.96 108.696 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -57.19 -36.86 71.34 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.401 -0.818 . . . . 30.65 110.64 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 ' SD ' ' A' ' 122' ' ' MET . 77.9 mt -71.67 -31.71 67.1 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.132 -0.227 . . . . 26.44 111.104 179.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.45 10.63 26.95 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.324 -0.465 . . . . 33.75 113.643 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.17 135.6 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 C-N-CA 123.39 0.676 . . . . 31.06 109.99 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.57 171.92 55.18 Favored Glycine 0 C--N 1.333 0.39 0 CA-C-O 118.837 -0.979 . . . . 30.91 114.19 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.449 HG23 ' NH2' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -54.54 -42.66 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 118.326 2.713 . . . . 26.79 118.326 -178.306 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.7 -57.73 5.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.47 -0.567 . . . . 37.34 109.47 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' ' 32' ' ' LEU . 5.3 mp -73.63 -36.91 65.48 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.65 -0.25 . . . . 47.18 111.373 -179.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' NH2' HG23 ' A' ' 30' ' ' ILE . 20.0 mtm-85 -59.06 -38.84 80.34 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.054 -0.658 . . . . 31.96 110.934 178.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 38' ' ' MET . 29.2 mmtp -71.09 -42.49 69.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.649 0.262 . . . . 54.86 110.92 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' MET . . . . . 0.731 ' HG3' ' HB3' ' A' ' 60' ' ' LEU . 57.3 ttp -58.89 -52.62 64.94 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.112 -0.699 . . . . 62.21 109.112 178.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.57 85.47 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 110.982 -0.847 . . . . 55.18 110.982 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.32 -20.77 63.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.537 0.94 . . . . 65.22 113.537 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 20.2 ptp -118.16 -5.03 10.94 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 116.173 1.916 . . . . 103.36 116.173 179.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.91 139.68 32.44 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.541 -1.651 . . . . 27.69 106.541 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -114.91 75.84 4.04 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 103.183 -2.895 . . . . 67.92 103.183 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -70.32 165.53 31.32 Favored 'Trans proline' 0 C--O 1.24 0.594 0 N-CA-C 117.636 2.129 . . . . 28.61 117.636 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.75 143.33 34.99 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 102.983 -2.969 . . . . 29.71 102.983 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.1 t -122.48 108.53 13.27 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.644 -0.873 . . . . 27.85 108.644 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.24 123.85 49.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.188 -1.412 . . . . 16.36 107.188 179.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 61.4 mt -119.08 125.08 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 107.952 -1.129 . . . . 16.87 107.952 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -135.92 145.75 46.59 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.087 -1.079 . . . . 13.96 108.087 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -126.28 150.92 48.13 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.279 0.562 . . . . 48.68 111.255 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -141.35 91.25 2.37 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 106.82 -1.548 . . . . 77.68 106.82 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.74 -96.51 0.95 Allowed Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 109.765 -1.334 . . . . 38.6 109.765 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -118.71 -14.49 9.54 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 107.935 -1.135 . . . . 46.65 107.935 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -75.18 143.7 43.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 105.696 -1.964 . . . . 82.83 105.696 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -145.95 135.88 23.54 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.019 -0.272 . . . . 37.61 111.594 -179.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 m -120.39 138.88 53.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.142 -0.481 . . . . 29.77 110.752 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.1 mt -128.46 115.65 38.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 105.447 -2.057 . . . . 16.64 105.447 177.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -116.3 129.87 56.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.955 -0.566 . . . . 22.41 111.247 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.5 m -107.82 131.01 54.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.142 -0.688 . . . . 25.5 109.142 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -131.13 131.22 43.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 113.793 1.034 . . . . 25.37 113.793 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.2 p -163.63 164.61 23.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 105.318 -2.104 . . . . 34.92 105.318 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.0 p -70.36 -40.47 74.02 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 107.0 -1.481 . . . . 59.68 107.0 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.731 ' HB3' ' HG3' ' A' ' 35' ' ' MET . 25.7 mt -70.5 -17.7 62.96 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.029 1.492 . . . . 53.43 115.029 179.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.649 ' HD3' ' H ' ' A' ' 62' ' ' THR . 2.6 tppp? -172.91 144.23 1.28 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 116.828 2.158 . . . . 76.03 116.828 178.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . 0.649 ' H ' ' HD3' ' A' ' 61' ' ' LYS . 52.4 m -138.26 113.62 9.5 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.497 1.119 . . . . 44.67 110.736 177.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 m -125.8 163.67 22.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.93 -0.766 . . . . 47.96 108.93 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -169.11 140.93 2.5 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 112.4 0.518 . . . . 48.03 112.4 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -150.07 156.79 42.3 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.232 -0.284 . . . . 21.06 110.232 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.1 m -125.03 152.28 44.48 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.369 -1.345 . . . . 50.28 107.369 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.591 ' HG ' ' HG ' ' A' ' 87' ' ' CYS . 31.7 p -158.11 155.39 29.09 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.513 0.508 . . . . 36.55 111.213 179.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.7 m -103.6 133.84 47.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 103.663 -2.717 . . . . 30.0 103.663 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.96 140.5 42.89 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.041 -1.463 . . . . 35.27 110.539 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.14 -8.97 49.65 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 116.257 1.263 . . . . 42.8 116.257 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -107.86 132.79 53.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.553 1.176 . . . . 79.96 112.948 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -76.69 145.63 38.6 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.143 -0.481 . . . . 46.86 109.888 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -153.28 161.28 42.54 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 112.262 0.467 . . . . 21.6 112.262 -179.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -85.1 115.78 23.1 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 123.179 0.3 . . . . 52.53 110.364 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -106.61 131.41 53.8 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 112.247 0.462 . . . . 30.43 112.247 -179.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 47.3 m -99.76 98.08 8.94 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.159 -2.164 . . . . 25.31 105.159 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' ' 81' ' ' ARG . 44.3 p -65.68 154.54 38.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.141 -0.936 . . . . 21.12 113.039 -178.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.02 -30.16 14.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.35 0.87 . . . . 15.99 113.35 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -88.79 2.0 54.29 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.349 1.24 . . . . 29.01 114.349 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.58 11.76 49.95 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 119.721 2.648 . . . . 21.26 119.721 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HB2' ' OG1' ' A' ' 77' ' ' THR . 49.9 mtm180 -87.71 142.89 27.48 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 121.895 -0.768 . . . . 26.03 109.169 179.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -102.76 127.43 49.91 Favored 'General case' 0 C--N 1.321 -0.672 1 N-CA-C 97.755 -4.906 . . . . 29.25 97.755 175.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.3 p -134.28 162.02 33.32 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.292 0.568 . . . . 18.54 111.99 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -100.36 92.84 5.36 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 102.767 -3.049 . . . . 52.45 102.767 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.1 m -98.8 148.59 23.74 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.603 -1.181 . . . . 31.95 113.039 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.5 t -137.25 137.27 46.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 102.686 -3.079 . . . . 31.04 102.686 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.591 ' HG ' ' HG ' ' A' ' 67' ' ' CYS . 98.3 m -118.89 132.8 56.11 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 102.438 -3.171 . . . . 32.48 102.438 178.534 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -149.71 127.36 11.66 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.107 -0.701 . . . . 56.42 109.107 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -85.38 104.02 14.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.443 -0.947 . . . . 38.85 108.443 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 t -134.64 152.44 51.77 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.766 -0.652 . . . . 58.62 110.954 -179.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . . . 50.61 25.51 2.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 115.47 1.656 . . . . 67.09 115.47 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.65 14.58 63.09 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 116.09 1.196 . . . . 54.78 116.09 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.14 158.34 43.7 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 117.215 0.507 . . . . 35.51 110.935 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 tp -91.25 124.02 35.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 105.513 -2.032 . . . . 39.7 105.513 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.7 t -111.98 121.13 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.776 -0.37 . . . . 24.46 110.838 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -108.25 91.98 3.87 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.515 -0.55 . . . . 25.46 109.515 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -88.49 125.32 34.7 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.449 -0.157 . . . . 51.56 111.051 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -111.75 153.48 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.747 0.419 . . . . 15.75 110.658 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -147.83 129.78 15.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.362 -0.607 . . . . 50.16 109.362 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -162.72 144.14 10.16 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.584 -0.895 . . . . 18.18 108.584 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 40.89 39.4 0.81 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.584 2.068 . . . . 93.27 116.584 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.77 -9.2 57.16 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.658 -0.782 . . . . 28.53 114.95 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 103' ' ' LYS . 31.2 mmtt -95.72 159.08 15.16 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.342 0.657 . . . . 35.82 110.472 179.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -137.22 162.72 32.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.218 -1.03 . . . . 57.87 108.218 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -168.46 151.69 5.53 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 106.412 -1.699 . . . . 19.8 106.412 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.38 136.75 26.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.566 0.698 . . . . 15.4 110.659 178.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.9 mm -112.21 130.08 66.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 104.069 -2.567 . . . . 32.04 104.069 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.1 m -119.7 127.22 52.67 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 121.12 0.486 . . . . 33.55 110.063 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -117.38 124.43 48.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.395 -0.595 . . . . 30.85 109.395 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -140.33 154.18 46.69 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.816 -0.754 . . . . 52.12 111.088 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.74 133.45 33.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 106.79 -1.559 . . . . 49.52 106.79 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -154.68 120.65 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 92.42 111.826 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 55.87 32.2 19.21 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.699 1.0 . . . . 77.68 113.699 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.47 -17.55 58.79 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 116.238 1.255 . . . . 42.26 116.238 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 157.78 23.18 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.53 -0.868 . . . . 48.94 112.847 179.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 131' ' ' TYR . 40.6 tp -85.2 122.66 29.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.766 -1.568 . . . . 35.16 106.766 179.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.552 HG22 HD12 ' A' ' 130' ' ' ILE . 85.0 t -111.6 113.01 43.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 108.738 -0.838 . . . . 21.38 108.738 179.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.432 HG11 ' C2 ' ' A' ' 136' ' ' PLM . 57.4 t -103.32 125.52 57.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 115.182 -0.917 . . . . 30.63 110.074 -179.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -125.25 130.52 52.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.737 -0.838 . . . . 48.74 108.737 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' A' ' 127' ' ' CYS . 21.8 p -115.36 145.87 42.11 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.593 -0.843 . . . . 43.47 109.605 178.334 55.571 -62.752 140.413 117.523 2.317 87.629 -114.999 96.667 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.0 p -142.75 142.84 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-O 121.313 0.577 . . . . 20.43 111.829 -178.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' MET . . . . . 0.421 ' SD ' HD23 ' A' ' 26' ' ' LEU . 13.8 ttt -159.43 119.79 3.1 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 105.125 -2.176 . . . . 19.46 105.125 176.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 49.98 50.84 17.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.543 1.152 . . . . 20.39 112.905 178.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 70.62 -11.63 0.61 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 116.433 2.012 . . . . 27.88 116.433 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 49.8 t -86.18 122.97 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 106.608 -1.627 . . . . 12.75 106.608 177.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 76.2 p -120.76 178.61 4.64 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 117.543 2.423 . . . . 24.94 117.543 -177.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' A' ' 120' ' ' CYS . 0.5 OUTLIER -150.39 156.6 41.8 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.422 -0.955 . . . . 25.19 108.422 179.398 96.667 -114.999 140.413 87.629 2.317 117.523 -62.752 55.571 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.1 m -145.73 110.59 5.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.314 0.578 . . . . 36.05 109.742 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -111.76 134.82 53.07 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.78 -1.563 . . . . 27.52 106.78 -179.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.552 HD12 HG22 ' A' ' 117' ' ' VAL . 38.2 mm -111.43 134.68 53.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 107.497 -1.297 . . . . 29.2 107.497 179.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.631 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 71.4 m-85 -126.79 132.94 50.92 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.616 -0.266 . . . . 23.53 111.426 -178.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -106.42 139.94 40.11 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 109.118 -0.697 . . . . 59.32 109.118 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.536 ' NZ ' ' HA3' ' A' ' 9' ' ' GLY . 42.8 tttp -61.16 138.23 58.22 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.808 0.67 . . . . 47.54 112.808 -178.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.7 t -93.26 119.32 40.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 O-C-N 123.675 0.609 . . . . 28.43 110.726 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 C--O 1.249 1.029 0 C-N-CA 126.012 1.725 . . . . 99.0 111.581 -178.786 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' PLM . . . . . 0.736 ' H32' ' O ' ' A' ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . 0.736 ' O ' ' H32' ' A' ' 136' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_