data_1tr8_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 1tr8 _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 ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.182 0 N-CA-C 109.581 -0.525 . . . . 91.2 109.581 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MSE . . . . . 0.607 ' CE ' ' NE2' ' A' ' 63' ' ' GLN . 3.3 mmm -98.76 142.71 29.96 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.447 0.906 . . . . 90.92 113.447 -165.985 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -114.36 150.56 34.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.098 -1.41 . . . . 83.76 107.624 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -83.24 144.99 29.39 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.583 -0.698 . . . . 78.89 109.998 174.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 tp -117.08 113.85 22.89 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.656 -1.609 . . . . 76.94 106.656 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -100.95 147.55 26.03 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.446 -0.797 . . . . 73.14 111.869 -167.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.92 47.89 Favored Glycine 0 N--CA 1.474 1.208 0 N-CA-C 114.766 0.667 . . . . 63.37 114.766 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.7 121.73 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 107.862 -1.162 . . . . 57.88 107.862 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -87.72 -29.51 21.03 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.868 -0.606 . . . . 62.77 112.51 -178.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -167.73 147.36 4.97 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 109.08 -0.711 . . . . 63.23 109.08 -175.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.7 t -123.8 133.04 70.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 105.133 -2.173 . . . . 53.9 105.133 168.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.9 t -120.45 128.77 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 O-C-N 124.338 1.024 . . . . 52.6 108.341 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.6 mt -109.4 119.65 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 O-C-N 124.428 1.08 . . . . 58.42 109.283 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . 0.598 ' NZ ' ' O ' ' A' ' 141' ' ' HOH . 64.8 mttt -108.59 128.64 55.01 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.598 -0.728 . . . . 59.92 110.738 -168.329 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mp -128.8 178.89 6.03 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 104.431 -2.433 . . . . 53.57 104.431 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -65.36 -43.25 91.41 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.212 0.529 . . . . 60.45 111.956 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -98.26 -7.29 29.4 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 114.65 1.352 . . . . 60.8 114.65 -170.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -172.97 167.28 5.04 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.987 -0.685 . . . . 52.35 110.899 -171.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' OE2' ' NH2' ' B' ' 71' ' ' ARG . 57.9 mt-10 -131.68 147.33 52.5 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 113.815 -1.539 . . . . 61.74 109.477 172.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -111.69 126.57 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 N-CA-C 104.76 -2.311 . . . . 52.03 104.76 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mp -117.84 126.3 74.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 108.914 -0.772 . . . . 58.7 108.914 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -114.79 118.24 58.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 O-C-N 123.905 0.753 . . . . 59.5 110.8 173.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -88.76 136.18 33.14 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 113.086 0.773 . . . . 71.04 113.086 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . 0.435 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 31.9 m120 42.61 56.23 10.75 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-O 121.901 0.858 . . . . 64.25 111.52 179.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 48' ' ' ASN . 69.8 Cg_endo -74.05 162.28 39.27 Favored 'Trans proline' 0 N--CA 1.444 -1.414 0 C-N-CA 121.149 1.233 . . . . 60.04 112.809 176.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -91.94 132.71 36.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.31 -0.996 . . . . 70.25 108.31 163.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.45 128.99 55.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.203 0.525 . . . . 58.32 112.176 -173.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -114.4 151.41 33.14 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.484 1.113 . . . . 72.07 110.164 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.24 148.54 27.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.772 0.796 . . . . 60.74 112.069 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' MSE . . . . . . . . . . . . . 3.6 ptm -149.18 154.2 38.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.437 -0.801 . . . . 70.85 109.13 171.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -117.52 133.85 55.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.144 -1.058 . . . . 69.49 108.144 176.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -147.23 121.71 9.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.843 -0.617 . . . . 65.53 110.184 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MSE . . . . . . . . . . . . . 18.3 mmt 52.26 44.57 29.63 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.704 0.631 . . . . 70.62 112.704 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.22 -8.3 71.53 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 116.282 1.273 . . . . 60.52 116.282 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -110.17 145.12 37.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.26 1.03 . . . . 64.7 111.908 175.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -84.78 144.64 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.666 -1.605 . . . . 63.69 106.666 169.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 m -121.55 125.02 45.78 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.175 -1.417 . . . . 52.18 107.175 165.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -109.13 126.85 53.65 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 114.823 -1.081 . . . . 60.27 110.025 175.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLN . . . . . 0.607 ' NE2' ' CE ' ' A' ' 26' ' ' MSE . 17.9 mt-30 -100.79 126.47 47.36 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.464 1.102 . . . . 61.41 109.949 167.229 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.16 116.28 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-N 114.221 -1.354 . . . . 51.38 108.083 -169.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.3 m -122.35 132.35 54.35 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.747 -1.115 . . . . 52.36 109.662 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.01 -179.94 43.34 Favored Glycine 0 C--O 1.22 -0.763 0 N-CA-C 108.606 -1.798 . . . . 52.81 108.606 174.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -83.05 129.66 35.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.922 0.868 . . . . 64.37 109.241 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.89 144.26 29.16 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.959 -1.018 . . . . 56.29 111.47 -172.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -129.07 154.17 46.93 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.649 1.218 . . . . 69.21 110.845 169.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -111.96 144.97 40.42 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 115.132 -0.94 . . . . 60.62 111.816 -176.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -136.56 115.45 12.24 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 113.846 -1.524 . . . . 63.36 107.108 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.9 p -86.86 153.16 21.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 118.484 0.584 . . . . 60.7 111.818 -174.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.31 133.5 55.44 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.946 -0.57 . . . . 63.97 110.473 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.47 150.5 40.72 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.942 -0.474 . . . . 78.5 110.845 -171.285 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.31 128.35 35.48 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 119.517 -0.873 . . . . 58.62 109.766 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . 0.697 ' OE1' ' O ' ' A' ' 144' ' ' HOH . 7.4 tp10 -96.28 104.62 16.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.025 1.33 . . . . 73.41 108.709 -179.043 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' MSE . . . . . . . . . . . . . 13.6 ptp -160.94 164.85 30.81 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 113.976 1.102 . . . . 71.43 113.976 -174.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -91.51 123.13 34.69 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 114.697 -1.138 . . . . 70.88 109.195 175.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mt -110.24 118.71 48.79 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 108.992 -0.744 . . . . 65.33 108.992 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -59.31 129.4 31.28 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 C-N-CA 120.653 0.902 . . . . 60.62 112.973 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -46.75 -49.46 19.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 123.33 0.652 . . . . 67.01 112.434 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.97 -32.03 71.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.08 -0.964 . . . . 67.87 111.619 -177.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -72.26 -42.35 65.7 Favored 'General case' 0 CA--C 1.51 -0.564 0 O-C-N 121.748 -0.595 . . . . 64.53 112.32 175.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.69 -48.92 82.32 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 N-CA-C 110.116 -0.327 . . . . 58.72 110.116 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -55.66 -48.25 75.33 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.304 0.641 . . . . 70.62 112.122 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.57 -44.59 93.27 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.823 0.821 . . . . 66.27 111.922 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.71 -41.4 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.534 -0.757 . . . . 62.86 111.658 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' MSE . . . . . . . . . . . . . 75.9 mtm -61.26 -47.33 86.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 74.83 110.913 177.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -74.32 -24.89 59.27 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.236 -0.438 . . . . 66.57 111.947 -172.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -88.91 -26.71 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.799 -0.637 . . . . 62.87 111.398 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.8 p -115.29 -8.98 12.26 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.562 0.949 . . . . 60.15 113.562 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.48 23.01 75.23 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 114.424 0.53 . . . . 60.01 114.424 -171.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.16 155.49 21.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 121.774 -0.839 . . . . 57.95 109.997 -176.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 145' ' ' HOH . 83.0 p -67.03 165.68 15.23 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.184 -1.043 . . . . 59.08 108.184 175.583 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.0 ttm-85 -61.48 -43.74 98.33 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.538 -1.282 . . . . 67.53 107.538 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -53.0 -56.42 16.21 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.096 1.359 . . . . 72.17 114.225 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ASP . . . . . 0.426 ' OD1' ' NH2' ' A' ' 100' ' ' ARG . 73.8 m-20 -66.44 -38.22 86.91 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.682 0.993 . . . . 67.35 113.682 178.511 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.1 98.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 122.126 0.965 . . . . 56.85 108.511 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.3 m -67.52 -44.83 77.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.146 -0.934 . . . . 61.08 109.833 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . 0.426 ' NH2' ' OD1' ' A' ' 97' ' ' ASP . 23.4 ttp180 -63.87 -43.27 96.58 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.531 0.937 . . . . 75.57 113.531 175.293 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.19 -47.36 65.59 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 120.746 -1.221 . . . . 56.3 113.491 173.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.71 -37.29 76.51 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.236 -0.438 . . . . 56.34 111.267 -176.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -56.36 -51.66 67.44 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 108.407 -0.961 . . . . 63.14 108.407 170.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -55.82 -39.58 71.57 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.688 0.995 . . . . 63.09 113.688 -179.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 36.1 p -95.75 13.46 26.45 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.296 1.591 . . . . 55.34 115.296 -179.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 58.48 38.83 91.98 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 116.541 1.377 . . . . 54.26 116.541 -174.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.74 4.26 90.31 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 116.497 1.359 . . . . 56.23 116.497 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -77.44 118.45 19.9 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.769 0.795 . . . . 65.02 109.456 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.64 -46.43 31.55 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.345 -1.298 . . . . 69.81 111.883 -171.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.93 -51.79 48.65 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.92 -0.488 . . . . 58.64 110.484 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -69.6 -36.87 76.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.161 0.288 . . . . 72.96 111.752 -174.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.66 -44.37 90.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.981 -0.748 . . . . 59.08 108.981 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.69 -47.35 93.3 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 O-C-N 123.743 0.652 . . . . 64.44 112.161 177.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' MSE . . . . . . . . . . . . . 80.0 mtp -62.58 -35.34 79.21 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 123.746 0.653 . . . . 66.65 111.528 -178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -77.77 -13.04 60.02 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 118.489 -1.285 . . . . 66.83 113.215 -176.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--O 1.241 0.655 0 O-C-N 121.831 -0.543 . . . . 63.79 112.322 -178.411 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.504 2.255 0 CA-C-O 120.764 0.316 . . . . 92.74 110.228 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' MSE . . . . . . . . . . . . . 40.6 mmm -81.79 129.25 34.67 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.011 0.924 . . . . 102.04 112.366 -177.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -127.46 142.3 51.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 84.38 110.385 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.12 139.78 34.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 77.46 109.609 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 23.1 tp -113.25 113.28 25.09 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.119 -1.067 . . . . 74.21 108.119 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -93.1 147.31 22.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.604 -1.18 . . . . 73.98 112.902 -171.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.31 30.33 57.05 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 115.138 0.815 . . . . 62.52 115.138 173.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.52 117.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 121.54 -0.977 . . . . 57.38 108.388 -178.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -81.41 -28.74 34.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.465 -0.789 . . . . 61.24 110.394 -176.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -176.12 138.36 0.34 Allowed 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 119.8 -0.76 . . . . 67.25 111.996 -168.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -117.66 133.55 64.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 N-CA-C 106.39 -1.708 . . . . 53.58 106.39 169.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.45 127.16 74.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.187 1.395 . . . . 53.39 109.885 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 71.8 mt -108.52 117.74 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 107.903 -1.147 . . . . 55.38 107.903 175.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -106.0 128.28 53.72 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.375 1.083 . . . . 58.43 112.331 -173.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.8 179.73 4.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.715 -1.957 . . . . 52.96 105.715 173.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -65.86 -44.25 85.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.212 -0.449 . . . . 59.65 110.685 -173.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' B' ' 126' ' ' HOH . 4.4 mtt-85 -102.24 -8.08 21.59 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 113.904 1.076 . . . . 64.31 113.904 -169.262 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -167.2 165.53 15.33 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 123.599 0.562 . . . . 51.92 110.467 -173.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.79 147.4 50.42 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 123.325 0.65 . . . . 58.31 109.631 173.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.5 mt -110.73 130.07 64.77 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 N-CA-C 107.605 -1.257 . . . . 52.4 107.605 174.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mp -120.52 126.23 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 107.819 -1.178 . . . . 57.95 107.819 -176.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.36 115.32 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.362 -0.836 . . . . 55.63 109.82 170.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -85.87 140.51 30.33 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.507 0.928 . . . . 67.7 113.507 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.0 m120 37.69 56.77 4.35 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-O 121.925 0.869 . . . . 65.17 112.809 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.44 161.33 42.73 Favored 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 120.341 0.694 . . . . 59.63 112.219 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -87.87 136.48 32.94 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 105.102 -2.185 . . . . 66.13 105.102 162.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 42.7 t -137.14 128.11 40.65 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-O 121.471 0.653 . . . . 57.46 112.111 -176.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -113.51 151.17 31.87 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 124.032 0.933 . . . . 72.11 111.386 171.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 p -129.27 148.92 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.065 0.46 . . . . 61.73 112.223 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' MSE . . . . . . . . . . . . . 0.2 OUTLIER -147.07 141.92 26.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.499 -0.773 . . . . 67.61 109.788 173.687 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -110.4 130.09 55.63 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.678 -1.23 . . . . 66.76 107.678 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -146.49 128.6 15.61 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.461 -0.336 . . . . 65.16 110.112 176.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' MSE . . . . . . . . . . . . . 87.0 mmm 47.82 44.47 18.07 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.751 0.648 . . . . 64.32 112.751 176.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.85 -18.87 36.87 Favored Glycine 0 N--CA 1.464 0.531 0 N-CA-C 116.148 1.219 . . . . 60.5 116.148 174.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -105.45 144.98 31.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.383 -1.069 . . . . 61.03 109.725 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -94.63 141.78 28.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.182 -1.044 . . . . 59.7 108.182 171.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 17.9 m -113.55 121.16 43.4 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.651 0.78 . . . . 52.41 108.932 172.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.6 127.71 53.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 60.37 110.718 175.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -101.47 121.73 42.5 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 106.875 -1.528 . . . . 56.07 106.875 171.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -120.04 120.41 63.02 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 N-CA-C 108.321 -0.992 . . . . 49.37 108.321 -173.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 55.5 m -123.69 130.09 52.1 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.754 0.65 . . . . 51.87 112.754 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.52 -176.58 45.41 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.551 -0.62 . . . . 53.26 111.551 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -83.59 129.51 34.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.089 -0.708 . . . . 63.73 109.089 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.82 154.08 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.12 0.785 . . . . 56.82 113.12 -175.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -135.23 148.93 49.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.138 0.97 . . . . 67.29 109.681 172.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.67 126.27 52.38 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.693 -1.225 . . . . 63.3 107.693 -172.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ARG . . . . . 0.401 ' NH2' ' OE2' ' A' ' 43' ' ' GLU . 29.1 ttm180 -107.94 100.18 9.56 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.047 -1.433 . . . . 67.73 108.181 177.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.0 p -69.07 135.27 50.53 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.705 -1.22 . . . . 71.97 107.705 167.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.46 1.36 45.85 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 118.166 2.654 . . . . 73.26 118.166 -170.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 132.11 34.72 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.856 0.463 . . . . 84.22 111.954 175.327 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.14 143.85 46.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.106 0.479 . . . . 70.96 110.305 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -122.4 138.36 54.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.864 -0.607 . . . . 83.75 111.125 -172.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' MSE . . . . . . . . . . . . . 26.3 ptm -70.2 152.72 43.93 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.134 -1.061 . . . . 65.35 108.134 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.48 151.01 34.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 75.2 111.818 177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.6 mm -132.09 129.7 21.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.121 -0.696 . . . . 62.58 109.121 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -67.2 140.15 52.7 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.453 2.102 . . . . 61.08 112.884 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -52.24 -44.43 64.83 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 124.173 0.92 . . . . 66.5 112.338 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -58.17 -38.0 75.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 124.323 1.014 . . . . 66.38 110.447 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -72.56 -46.81 52.58 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.594 -0.73 . . . . 62.96 110.356 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.56 -50.89 55.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 120.519 -0.472 . . . . 58.54 111.923 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.27 -43.75 95.91 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.22 0.452 . . . . 64.72 112.22 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 28.8 tp -56.34 -49.43 74.39 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.119 0.485 . . . . 64.58 112.087 175.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.89 -41.37 89.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.909 -0.404 . . . . 61.38 109.909 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' MSE . . . . . . . . . . . . . 57.9 mtm -56.84 -49.2 76.15 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.097 -0.501 . . . . 71.91 111.199 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -70.27 -29.33 66.08 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.428 -0.806 . . . . 63.76 112.152 -175.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -90.34 -22.38 21.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.137 0.791 . . . . 62.87 113.137 -175.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 78.5 p -117.41 -12.78 10.4 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.634 0.605 . . . . 60.17 112.634 -174.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.74 19.83 79.45 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 120.441 -0.885 . . . . 59.56 112.248 -173.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.84 153.15 23.12 Favored 'General case' 0 C--O 1.242 0.697 0 O-C-N 121.611 -0.934 . . . . 58.4 109.615 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 87.1 p -69.5 165.18 21.51 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.451 -1.25 . . . . 58.49 107.712 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -61.62 -41.95 98.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.68 -0.691 . . . . 65.66 109.66 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.98 -57.47 11.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 67.32 110.959 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -63.09 -37.48 87.38 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.198 1.185 . . . . 61.94 114.198 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.9 -41.89 81.99 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 108.623 -0.88 . . . . 56.99 108.623 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 92.8 m -63.6 -50.12 70.64 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.135 -0.939 . . . . 57.5 109.232 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -57.6 -48.42 79.45 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.111 -0.495 . . . . 77.17 111.202 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.85 -42.77 80.29 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 112.067 0.395 . . . . 55.59 112.067 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.27 -32.58 70.47 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.922 0.763 . . . . 56.25 111.555 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -67.78 -44.81 76.56 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.225 -0.657 . . . . 66.67 109.225 172.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.04 -33.73 69.32 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.602 0.964 . . . . 66.85 113.602 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 76.3 p -101.39 19.71 17.29 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.596 1.332 . . . . 55.36 114.596 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.07 32.06 70.27 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 116.559 1.384 . . . . 54.46 116.559 -176.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.24 8.24 86.65 Favored Glycine 0 N--CA 1.475 1.241 0 CA-C-N 118.617 1.209 . . . . 56.08 114.995 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -78.31 111.23 14.07 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 122.477 0.311 . . . . 63.35 110.651 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.92 -47.3 69.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.429 0.529 . . . . 69.13 112.429 -171.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.66 86.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 124.003 0.815 . . . . 58.34 110.44 -176.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -73.93 -35.36 64.58 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.141 0.793 . . . . 72.3 113.141 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.2 91.54 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 110.036 -0.357 . . . . 58.94 110.036 173.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.05 -52.14 64.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 122.098 0.951 . . . . 62.01 111.442 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' MSE . . . . . . . . . . . . . 31.2 tpp -55.99 -34.54 65.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.389 -1.278 . . . . 75.37 112.046 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -78.61 -23.18 46.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.957 -0.565 . . . . 71.33 111.525 -176.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.328 -0.355 0 C-N-CA 120.658 -0.417 . . . . 67.31 111.324 175.694 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . 0.598 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . 0.697 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . 0.44 ' O ' ' N ' ' A' ' 94' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . 0.57 ' O ' ' N ' ' B' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.182 0 N-CA-C 109.581 -0.525 . . . . 91.2 109.581 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MSE . . . . . 0.548 ' HE1' ' OE1' ' A' ' 63' ' ' GLN . 3.3 mmm -98.76 142.71 29.96 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.447 0.906 . . . . 90.92 113.447 -165.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -114.36 150.56 34.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.098 -1.41 . . . . 83.76 107.624 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -83.24 144.99 29.39 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.583 -0.698 . . . . 78.89 109.998 174.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 tp -117.08 113.85 22.89 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.656 -1.609 . . . . 76.94 106.656 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -100.95 147.55 26.03 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.446 -0.797 . . . . 73.14 111.869 -167.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.92 47.89 Favored Glycine 0 N--CA 1.474 1.208 0 N-CA-C 114.766 0.667 . . . . 63.37 114.766 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.7 121.73 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 107.862 -1.162 . . . . 57.88 107.862 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -87.72 -29.51 21.03 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.868 -0.606 . . . . 62.77 112.51 -178.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -167.73 147.36 4.97 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 109.08 -0.711 . . . . 63.23 109.08 -175.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.7 t -123.8 133.04 70.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 105.133 -2.173 . . . . 53.9 105.133 168.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.9 t -120.45 128.77 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 O-C-N 124.338 1.024 . . . . 52.6 108.341 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.6 mt -109.4 119.65 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 O-C-N 124.428 1.08 . . . . 58.42 109.283 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 141' ' ' HOH . 64.8 mttt -108.59 128.64 55.01 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.598 -0.728 . . . . 59.92 110.738 -168.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mp -128.8 178.89 6.03 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 104.431 -2.433 . . . . 53.57 104.431 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -65.36 -43.25 91.41 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.212 0.529 . . . . 60.45 111.956 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -98.26 -7.29 29.4 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 114.65 1.352 . . . . 60.8 114.65 -170.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -172.97 167.28 5.04 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.987 -0.685 . . . . 52.35 110.899 -171.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -131.68 147.33 52.5 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 113.815 -1.539 . . . . 61.74 109.477 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -111.69 126.57 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 N-CA-C 104.76 -2.311 . . . . 52.03 104.76 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mp -117.84 126.3 74.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 108.914 -0.772 . . . . 58.7 108.914 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -114.79 118.24 58.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 O-C-N 123.905 0.753 . . . . 59.5 110.8 173.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -88.76 136.18 33.14 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 113.086 0.773 . . . . 71.04 113.086 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . 0.435 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 31.9 m120 42.61 56.23 10.75 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-O 121.901 0.858 . . . . 64.25 111.52 179.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 48' ' ' ASN . 69.8 Cg_endo -74.05 162.28 39.27 Favored 'Trans proline' 0 N--CA 1.444 -1.414 0 C-N-CA 121.149 1.233 . . . . 60.04 112.809 176.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HZ3' ' HG3' ' A' ' 50' ' ' LYS . 4.7 tttp -91.94 132.71 36.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.31 -0.996 . . . . 70.25 108.31 163.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.45 128.99 55.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.203 0.525 . . . . 58.32 112.176 -173.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -114.4 151.41 33.14 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.484 1.113 . . . . 72.07 110.164 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.24 148.54 27.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.772 0.796 . . . . 60.74 112.069 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' MSE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 56' ' ' PHE . 3.6 ptm -149.18 154.2 38.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.437 -0.801 . . . . 70.85 109.13 171.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' OE1' ' HE3' ' A' ' 60' ' ' LYS . 10.3 tt0 -117.52 133.85 55.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.144 -1.058 . . . . 69.49 108.144 176.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . 0.411 ' HB2' ' HE1' ' A' ' 54' ' ' MSE . 63.6 t80 -147.23 121.71 9.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.843 -0.617 . . . . 65.53 110.184 179.387 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MSE . . . . . . . . . . . . . 18.3 mmt 52.26 44.57 29.63 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.704 0.631 . . . . 70.62 112.704 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.22 -8.3 71.53 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 116.282 1.273 . . . . 60.52 116.282 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -110.17 145.12 37.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.26 1.03 . . . . 64.7 111.908 175.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HE3' ' OE1' ' A' ' 55' ' ' GLU . 29.6 mmtp -84.78 144.64 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.666 -1.605 . . . . 63.69 106.666 169.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 m -121.55 125.02 45.78 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.175 -1.417 . . . . 52.18 107.175 165.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -109.13 126.85 53.65 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 114.823 -1.081 . . . . 60.27 110.025 175.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLN . . . . . 0.548 ' OE1' ' HE1' ' A' ' 26' ' ' MSE . 44.9 mt-30 -100.79 126.47 47.36 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.464 1.102 . . . . 61.41 109.949 167.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.16 116.28 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-N 114.221 -1.354 . . . . 51.38 108.083 -169.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.3 m -122.35 132.35 54.35 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.747 -1.115 . . . . 52.36 109.662 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.01 -179.94 43.34 Favored Glycine 0 C--O 1.22 -0.763 0 N-CA-C 108.606 -1.798 . . . . 52.81 108.606 174.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -83.05 129.66 35.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.922 0.868 . . . . 64.37 109.241 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.89 144.26 29.16 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.959 -1.018 . . . . 56.29 111.47 -172.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -129.07 154.17 46.93 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.649 1.218 . . . . 69.21 110.845 169.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -111.96 144.97 40.42 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 115.132 -0.94 . . . . 60.62 111.816 -176.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -136.56 115.45 12.24 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 113.846 -1.524 . . . . 63.36 107.108 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.9 p -86.86 153.16 21.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 118.484 0.584 . . . . 60.7 111.818 -174.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.31 133.5 55.44 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.946 -0.57 . . . . 63.97 110.473 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.47 150.5 40.72 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.942 -0.474 . . . . 78.5 110.845 -171.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.31 128.35 35.48 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 119.517 -0.873 . . . . 58.62 109.766 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . 0.697 ' OE1' ' O ' ' A' ' 144' ' ' HOH . 7.4 tp10 -96.28 104.62 16.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.025 1.33 . . . . 73.41 108.709 -179.043 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' MSE . . . . . . . . . . . . . 13.6 ptp -160.94 164.85 30.81 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 113.976 1.102 . . . . 71.43 113.976 -174.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -91.51 123.13 34.69 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 114.697 -1.138 . . . . 70.88 109.195 175.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mt -110.24 118.71 48.79 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 108.992 -0.744 . . . . 65.33 108.992 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -59.31 129.4 31.28 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 C-N-CA 120.653 0.902 . . . . 60.62 112.973 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -46.75 -49.46 19.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 123.33 0.652 . . . . 67.01 112.434 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.97 -32.03 71.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.08 -0.964 . . . . 67.87 111.619 -177.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -72.26 -42.35 65.7 Favored 'General case' 0 CA--C 1.51 -0.564 0 O-C-N 121.748 -0.595 . . . . 64.53 112.32 175.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ILE . . . . . 0.463 HG22 ' HE2' ' A' ' 88' ' ' MSE . 96.6 mt -57.69 -48.92 82.32 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 N-CA-C 110.116 -0.327 . . . . 58.72 110.116 174.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . 0.77 ' HA ' ' CE ' ' A' ' 88' ' ' MSE . 64.8 mt-10 -55.66 -48.25 75.33 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.304 0.641 . . . . 70.62 112.122 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.57 -44.59 93.27 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.823 0.821 . . . . 66.27 111.922 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.71 -41.4 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.534 -0.757 . . . . 62.86 111.658 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' MSE . . . . . 0.77 ' CE ' ' HA ' ' A' ' 85' ' ' GLU . 75.9 mtm -61.26 -47.33 86.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 74.83 110.913 177.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -74.32 -24.89 59.27 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.236 -0.438 . . . . 66.57 111.947 -172.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -88.91 -26.71 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.799 -0.637 . . . . 62.87 111.398 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.8 p -115.29 -8.98 12.26 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.562 0.949 . . . . 60.15 113.562 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.48 23.01 75.23 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 114.424 0.53 . . . . 60.01 114.424 -171.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.16 155.49 21.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 121.774 -0.839 . . . . 57.95 109.997 -176.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.0 p -67.03 165.68 15.23 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.184 -1.043 . . . . 59.08 108.184 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.0 ttm-85 -61.48 -43.74 98.33 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.538 -1.282 . . . . 67.53 107.538 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -53.0 -56.42 16.21 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.096 1.359 . . . . 72.17 114.225 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ASP . . . . . 0.426 ' OD1' ' NH2' ' A' ' 100' ' ' ARG . 73.8 m-20 -66.44 -38.22 86.91 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.682 0.993 . . . . 67.35 113.682 178.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.1 98.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 122.126 0.965 . . . . 56.85 108.511 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.3 m -67.52 -44.83 77.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.146 -0.934 . . . . 61.08 109.833 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . 0.426 ' NH2' ' OD1' ' A' ' 97' ' ' ASP . 23.4 ttp180 -63.87 -43.27 96.58 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.531 0.937 . . . . 75.57 113.531 175.293 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.19 -47.36 65.59 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 120.746 -1.221 . . . . 56.3 113.491 173.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.71 -37.29 76.51 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.236 -0.438 . . . . 56.34 111.267 -176.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -56.36 -51.66 67.44 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 108.407 -0.961 . . . . 63.14 108.407 170.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -55.82 -39.58 71.57 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.688 0.995 . . . . 63.09 113.688 -179.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 36.1 p -95.75 13.46 26.45 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.296 1.591 . . . . 55.34 115.296 -179.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 58.48 38.83 91.98 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 116.541 1.377 . . . . 54.26 116.541 -174.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.74 4.26 90.31 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 116.497 1.359 . . . . 56.23 116.497 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -77.44 118.45 19.9 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.769 0.795 . . . . 65.02 109.456 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.64 -46.43 31.55 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.345 -1.298 . . . . 69.81 111.883 -171.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.93 -51.79 48.65 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.92 -0.488 . . . . 58.64 110.484 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -69.6 -36.87 76.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.161 0.288 . . . . 72.96 111.752 -174.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.66 -44.37 90.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.981 -0.748 . . . . 59.08 108.981 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.69 -47.35 93.3 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 O-C-N 123.743 0.652 . . . . 64.44 112.161 177.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' MSE . . . . . . . . . . . . . 80.0 mtp -62.58 -35.34 79.21 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 123.746 0.653 . . . . 66.65 111.528 -178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -77.77 -13.04 60.02 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 118.489 -1.285 . . . . 66.83 113.215 -176.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--O 1.241 0.655 0 O-C-N 121.831 -0.543 . . . . 63.79 112.322 -178.411 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.504 2.255 0 CA-C-O 120.764 0.316 . . . . 92.74 110.228 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' MSE . . . . . . . . . . . . . 40.6 mmm -81.79 129.25 34.67 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.011 0.924 . . . . 102.04 112.366 -177.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -127.46 142.3 51.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 84.38 110.385 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.12 139.78 34.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 77.46 109.609 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 23.1 tp -113.25 113.28 25.09 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.119 -1.067 . . . . 74.21 108.119 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -93.1 147.31 22.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.604 -1.18 . . . . 73.98 112.902 -171.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.31 30.33 57.05 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 115.138 0.815 . . . . 62.52 115.138 173.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.52 117.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 121.54 -0.977 . . . . 57.38 108.388 -178.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -81.41 -28.74 34.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.465 -0.789 . . . . 61.24 110.394 -176.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -176.12 138.36 0.34 Allowed 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 119.8 -0.76 . . . . 67.25 111.996 -168.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -117.66 133.55 64.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 N-CA-C 106.39 -1.708 . . . . 53.58 106.39 169.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.45 127.16 74.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.187 1.395 . . . . 53.39 109.885 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 71.8 mt -108.52 117.74 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 107.903 -1.147 . . . . 55.38 107.903 175.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -106.0 128.28 53.72 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.375 1.083 . . . . 58.43 112.331 -173.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.8 179.73 4.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.715 -1.957 . . . . 52.96 105.715 173.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -65.86 -44.25 85.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.212 -0.449 . . . . 59.65 110.685 -173.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -102.24 -8.08 21.59 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 113.904 1.076 . . . . 64.31 113.904 -169.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -167.2 165.53 15.33 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 123.599 0.562 . . . . 51.92 110.467 -173.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.79 147.4 50.42 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 123.325 0.65 . . . . 58.31 109.631 173.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.5 mt -110.73 130.07 64.77 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 N-CA-C 107.605 -1.257 . . . . 52.4 107.605 174.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mp -120.52 126.23 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 107.819 -1.178 . . . . 57.95 107.819 -176.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.36 115.32 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.362 -0.836 . . . . 55.63 109.82 170.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -85.87 140.51 30.33 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.507 0.928 . . . . 67.7 113.507 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.0 m120 37.69 56.77 4.35 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-O 121.925 0.869 . . . . 65.17 112.809 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.44 161.33 42.73 Favored 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 120.341 0.694 . . . . 59.63 112.219 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -87.87 136.48 32.94 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 105.102 -2.185 . . . . 66.13 105.102 162.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 42.7 t -137.14 128.11 40.65 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-O 121.471 0.653 . . . . 57.46 112.111 -176.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -113.51 151.17 31.87 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 124.032 0.933 . . . . 72.11 111.386 171.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 p -129.27 148.92 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.065 0.46 . . . . 61.73 112.223 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' MSE . . . . . . . . . . . . . 0.2 OUTLIER -147.07 141.92 26.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.499 -0.773 . . . . 67.61 109.788 173.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -110.4 130.09 55.63 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.678 -1.23 . . . . 66.76 107.678 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -146.49 128.6 15.61 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.461 -0.336 . . . . 65.16 110.112 176.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' MSE . . . . . . . . . . . . . 87.0 mmm 47.82 44.47 18.07 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.751 0.648 . . . . 64.32 112.751 176.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.85 -18.87 36.87 Favored Glycine 0 N--CA 1.464 0.531 0 N-CA-C 116.148 1.219 . . . . 60.5 116.148 174.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -105.45 144.98 31.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.383 -1.069 . . . . 61.03 109.725 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -94.63 141.78 28.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.182 -1.044 . . . . 59.7 108.182 171.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 17.9 m -113.55 121.16 43.4 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.651 0.78 . . . . 52.41 108.932 172.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.6 127.71 53.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 60.37 110.718 175.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -101.47 121.73 42.5 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 106.875 -1.528 . . . . 56.07 106.875 171.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -120.04 120.41 63.02 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 N-CA-C 108.321 -0.992 . . . . 49.37 108.321 -173.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 55.5 m -123.69 130.09 52.1 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.754 0.65 . . . . 51.87 112.754 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.52 -176.58 45.41 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.551 -0.62 . . . . 53.26 111.551 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -83.59 129.51 34.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.089 -0.708 . . . . 63.73 109.089 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.82 154.08 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.12 0.785 . . . . 56.82 113.12 -175.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -135.23 148.93 49.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.138 0.97 . . . . 67.29 109.681 172.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.67 126.27 52.38 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.693 -1.225 . . . . 63.3 107.693 -172.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -107.94 100.18 9.56 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.047 -1.433 . . . . 67.73 108.181 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.0 p -69.07 135.27 50.53 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.705 -1.22 . . . . 71.97 107.705 167.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.46 1.36 45.85 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 118.166 2.654 . . . . 73.26 118.166 -170.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 132.11 34.72 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.856 0.463 . . . . 84.22 111.954 175.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.14 143.85 46.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.106 0.479 . . . . 70.96 110.305 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -122.4 138.36 54.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.864 -0.607 . . . . 83.75 111.125 -172.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' MSE . . . . . . . . . . . . . 26.3 ptm -70.2 152.72 43.93 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.134 -1.061 . . . . 65.35 108.134 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.48 151.01 34.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 75.2 111.818 177.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' B' ' 80' ' ' PRO . 28.6 mm -132.09 129.7 21.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.121 -0.696 . . . . 62.58 109.121 -178.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 79' ' ' ILE . 31.7 Cg_exo -67.2 140.15 52.7 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.453 2.102 . . . . 61.08 112.884 -178.35 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -52.24 -44.43 64.83 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 124.173 0.92 . . . . 66.5 112.338 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -58.17 -38.0 75.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 124.323 1.014 . . . . 66.38 110.447 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -72.56 -46.81 52.58 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.594 -0.73 . . . . 62.96 110.356 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ILE . . . . . 1.027 HG22 ' HE2' ' B' ' 88' ' ' MSE . 96.8 mt -54.56 -50.89 55.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 120.519 -0.472 . . . . 58.54 111.923 173.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLU . . . . . 0.742 ' HA ' ' HE3' ' B' ' 88' ' ' MSE . 93.4 mt-10 -60.27 -43.75 95.91 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.22 0.452 . . . . 64.72 112.22 -179.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 28.8 tp -56.34 -49.43 74.39 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.119 0.485 . . . . 64.58 112.087 175.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.89 -41.37 89.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.909 -0.404 . . . . 61.38 109.909 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' MSE . . . . . 1.027 ' HE2' HG22 ' B' ' 84' ' ' ILE . 57.9 mtm -56.84 -49.2 76.15 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.097 -0.501 . . . . 71.91 111.199 176.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -70.27 -29.33 66.08 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.428 -0.806 . . . . 63.76 112.152 -175.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -90.34 -22.38 21.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.137 0.791 . . . . 62.87 113.137 -175.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 78.5 p -117.41 -12.78 10.4 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.634 0.605 . . . . 60.17 112.634 -174.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.74 19.83 79.45 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 120.441 -0.885 . . . . 59.56 112.248 -173.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.84 153.15 23.12 Favored 'General case' 0 C--O 1.242 0.697 0 O-C-N 121.611 -0.934 . . . . 58.4 109.615 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 87.1 p -69.5 165.18 21.51 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.451 -1.25 . . . . 58.49 107.712 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -61.62 -41.95 98.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.68 -0.691 . . . . 65.66 109.66 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.98 -57.47 11.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 67.32 110.959 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -63.09 -37.48 87.38 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.198 1.185 . . . . 61.94 114.198 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.9 -41.89 81.99 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 108.623 -0.88 . . . . 56.99 108.623 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 92.8 m -63.6 -50.12 70.64 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.135 -0.939 . . . . 57.5 109.232 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -57.6 -48.42 79.45 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.111 -0.495 . . . . 77.17 111.202 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.85 -42.77 80.29 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 112.067 0.395 . . . . 55.59 112.067 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.27 -32.58 70.47 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.922 0.763 . . . . 56.25 111.555 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -67.78 -44.81 76.56 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.225 -0.657 . . . . 66.67 109.225 172.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.04 -33.73 69.32 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.602 0.964 . . . . 66.85 113.602 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 76.3 p -101.39 19.71 17.29 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.596 1.332 . . . . 55.36 114.596 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.07 32.06 70.27 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 116.559 1.384 . . . . 54.46 116.559 -176.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.24 8.24 86.65 Favored Glycine 0 N--CA 1.475 1.241 0 CA-C-N 118.617 1.209 . . . . 56.08 114.995 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -78.31 111.23 14.07 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 122.477 0.311 . . . . 63.35 110.651 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.92 -47.3 69.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.429 0.529 . . . . 69.13 112.429 -171.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.66 86.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 124.003 0.815 . . . . 58.34 110.44 -176.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -73.93 -35.36 64.58 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.141 0.793 . . . . 72.3 113.141 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.2 91.54 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 110.036 -0.357 . . . . 58.94 110.036 173.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.05 -52.14 64.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 122.098 0.951 . . . . 62.01 111.442 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' MSE . . . . . . . . . . . . . 31.2 tpp -55.99 -34.54 65.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.389 -1.278 . . . . 75.37 112.046 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -78.61 -23.18 46.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.957 -0.565 . . . . 71.33 111.525 -176.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.328 -0.355 0 C-N-CA 120.658 -0.417 . . . . 67.31 111.324 175.694 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . 0.552 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . 0.697 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.182 0 N-CA-C 109.581 -0.525 . . . . 91.200000000000003 109.581 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MSE . . . . . 0.699 ' HE1' ' NE2' ' A' ' 63' ' ' GLN . 3.3 mmm -98.76 142.71 29.96 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.447 0.906 . . . . 90.920000000000002 113.447 -165.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -114.36 150.56 34.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.098 -1.41 . . . . 83.760000000000005 107.624 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -83.24 144.99 29.39 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.583 -0.698 . . . . 78.890000000000001 109.998 174.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 tp -117.08 113.85 22.89 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.656 -1.609 . . . . 76.939999999999998 106.656 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -100.95 147.55 26.03 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.446 -0.797 . . . . 73.140000000000001 111.869 -167.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.92 47.89 Favored Glycine 0 N--CA 1.474 1.208 0 N-CA-C 114.766 0.667 . . . . 63.369999999999997 114.766 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.7 121.73 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 107.862 -1.162 . . . . 57.880000000000003 107.862 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -87.72 -29.51 21.03 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.868 -0.606 . . . . 62.770000000000003 112.51 -178.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -167.73 147.36 4.97 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 109.08 -0.711 . . . . 63.229999999999997 109.08 -175.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.7 t -123.8 133.04 70.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 105.133 -2.173 . . . . 53.899999999999999 105.133 168.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.9 t -120.45 128.77 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 O-C-N 124.338 1.024 . . . . 52.600000000000001 108.341 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.6 mt -109.4 119.65 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 O-C-N 124.428 1.08 . . . . 58.420000000000002 109.283 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 141' ' ' HOH . 64.8 mttt -108.59 128.64 55.01 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.598 -0.728 . . . . 59.920000000000002 110.738 -168.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mp -128.8 178.89 6.03 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 104.431 -2.433 . . . . 53.57 104.431 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -65.36 -43.25 91.41 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.212 0.529 . . . . 60.450000000000003 111.956 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -98.26 -7.29 29.4 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 114.65 1.352 . . . . 60.799999999999997 114.65 -170.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -172.97 167.28 5.04 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.987 -0.685 . . . . 52.350000000000001 110.899 -171.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -131.68 147.33 52.5 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 113.815 -1.539 . . . . 61.740000000000002 109.477 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -111.69 126.57 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 N-CA-C 104.76 -2.311 . . . . 52.030000000000001 104.76 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mp -117.84 126.3 74.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 108.914 -0.772 . . . . 58.700000000000003 108.914 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -114.79 118.24 58.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 O-C-N 123.905 0.753 . . . . 59.5 110.8 173.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -88.76 136.18 33.14 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 113.086 0.773 . . . . 71.040000000000006 113.086 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.435 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 31.9 m120 42.61 56.23 10.75 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-O 121.901 0.858 . . . . 64.25 111.52 179.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 48' ' ' ASN . 69.8 Cg_endo -74.05 162.28 39.27 Favored 'Trans proline' 0 N--CA 1.444 -1.414 0 C-N-CA 121.149 1.233 . . . . 60.039999999999999 112.809 176.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HZ3' ' HG3' ' A' ' 50' ' ' LYS . 4.7 tttp -91.94 132.71 36.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.31 -0.996 . . . . 70.25 108.31 163.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.45 128.99 55.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.203 0.525 . . . . 58.32 112.176 -173.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -114.4 151.41 33.14 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.484 1.113 . . . . 72.069999999999993 110.164 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.24 148.54 27.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.772 0.796 . . . . 60.740000000000002 112.069 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' MSE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 56' ' ' PHE . 3.6 ptm -149.18 154.2 38.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.437 -0.801 . . . . 70.849999999999994 109.13 171.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' OE1' ' HE3' ' A' ' 60' ' ' LYS . 10.3 tt0 -117.52 133.85 55.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.144 -1.058 . . . . 69.489999999999995 108.144 176.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.411 ' HB2' ' HE1' ' A' ' 54' ' ' MSE . 63.6 t80 -147.23 121.71 9.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.843 -0.617 . . . . 65.530000000000001 110.184 179.387 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MSE . . . . . . . . . . . . . 18.3 mmt 52.26 44.57 29.63 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.704 0.631 . . . . 70.620000000000005 112.704 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.22 -8.3 71.53 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 116.282 1.273 . . . . 60.520000000000003 116.282 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -110.17 145.12 37.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.26 1.03 . . . . 64.700000000000003 111.908 175.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HE3' ' OE1' ' A' ' 55' ' ' GLU . 29.6 mmtp -84.78 144.64 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.666 -1.605 . . . . 63.689999999999998 106.666 169.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 m -121.55 125.02 45.78 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.175 -1.417 . . . . 52.18 107.175 165.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -109.13 126.85 53.65 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 114.823 -1.081 . . . . 60.270000000000003 110.025 175.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.699 ' NE2' ' HE1' ' A' ' 26' ' ' MSE . 17.9 mt-30 -100.79 126.47 47.36 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.464 1.102 . . . . 61.409999999999997 109.949 167.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.16 116.28 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-N 114.221 -1.354 . . . . 51.380000000000003 108.083 -169.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.3 m -122.35 132.35 54.35 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.747 -1.115 . . . . 52.359999999999999 109.662 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.01 -179.94 43.34 Favored Glycine 0 C--O 1.22 -0.763 0 N-CA-C 108.606 -1.798 . . . . 52.810000000000002 108.606 174.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -83.05 129.66 35.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.922 0.868 . . . . 64.370000000000005 109.241 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.89 144.26 29.16 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.959 -1.018 . . . . 56.289999999999999 111.47 -172.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -129.07 154.17 46.93 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.649 1.218 . . . . 69.209999999999994 110.845 169.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -111.96 144.97 40.42 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 115.132 -0.94 . . . . 60.619999999999997 111.816 -176.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -136.56 115.45 12.24 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 113.846 -1.524 . . . . 63.359999999999999 107.108 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.9 p -86.86 153.16 21.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 118.484 0.584 . . . . 60.700000000000003 111.818 -174.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.31 133.5 55.44 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.946 -0.57 . . . . 63.969999999999999 110.473 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.47 150.5 40.72 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.942 -0.474 . . . . 78.5 110.845 -171.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.31 128.35 35.48 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 119.517 -0.873 . . . . 58.619999999999997 109.766 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.697 ' OE1' ' O ' ' A' ' 144' ' ' HOH . 7.4 tp10 -96.28 104.62 16.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.025 1.33 . . . . 73.409999999999997 108.709 -179.043 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' MSE . . . . . . . . . . . . . 13.6 ptp -160.94 164.85 30.81 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 113.976 1.102 . . . . 71.430000000000007 113.976 -174.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -91.51 123.13 34.69 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 114.697 -1.138 . . . . 70.879999999999995 109.195 175.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mt -110.24 118.71 48.79 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 108.992 -0.744 . . . . 65.329999999999998 108.992 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -59.31 129.4 31.28 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 C-N-CA 120.653 0.902 . . . . 60.619999999999997 112.973 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -46.75 -49.46 19.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 123.33 0.652 . . . . 67.010000000000005 112.434 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.97 -32.03 71.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.08 -0.964 . . . . 67.870000000000005 111.619 -177.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -72.26 -42.35 65.7 Favored 'General case' 0 CA--C 1.51 -0.564 0 O-C-N 121.748 -0.595 . . . . 64.530000000000001 112.32 175.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.463 HG22 ' HE2' ' A' ' 88' ' ' MSE . 96.6 mt -57.69 -48.92 82.32 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 N-CA-C 110.116 -0.327 . . . . 58.719999999999999 110.116 174.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.77 ' HA ' ' CE ' ' A' ' 88' ' ' MSE . 64.8 mt-10 -55.66 -48.25 75.33 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.304 0.641 . . . . 70.620000000000005 112.122 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.57 -44.59 93.27 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.823 0.821 . . . . 66.269999999999996 111.922 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.71 -41.4 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.534 -0.757 . . . . 62.859999999999999 111.658 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' MSE . . . . . 0.77 ' CE ' ' HA ' ' A' ' 85' ' ' GLU . 75.9 mtm -61.26 -47.33 86.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 74.829999999999998 110.913 177.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -74.32 -24.89 59.27 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.236 -0.438 . . . . 66.569999999999993 111.947 -172.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -88.91 -26.71 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.799 -0.637 . . . . 62.869999999999997 111.398 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.8 p -115.29 -8.98 12.26 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.562 0.949 . . . . 60.149999999999999 113.562 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.48 23.01 75.23 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 114.424 0.53 . . . . 60.009999999999998 114.424 -171.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.16 155.49 21.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 121.774 -0.839 . . . . 57.950000000000003 109.997 -176.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.0 p -67.03 165.68 15.23 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.184 -1.043 . . . . 59.079999999999998 108.184 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.0 ttm-85 -61.48 -43.74 98.33 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.538 -1.282 . . . . 67.530000000000001 107.538 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -53.0 -56.42 16.21 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.096 1.359 . . . . 72.170000000000002 114.225 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.426 ' OD1' ' NH2' ' A' ' 100' ' ' ARG . 73.8 m-20 -66.44 -38.22 86.91 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.682 0.993 . . . . 67.349999999999994 113.682 178.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.1 98.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 122.126 0.965 . . . . 56.850000000000001 108.511 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.3 m -67.52 -44.83 77.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.146 -0.934 . . . . 61.079999999999998 109.833 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.471 ' HA ' HE21 ' A' ' 103' ' ' GLN . 23.4 ttp180 -63.87 -43.27 96.58 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.531 0.937 . . . . 75.569999999999993 113.531 175.293 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.19 -47.36 65.59 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 120.746 -1.221 . . . . 56.299999999999997 113.491 173.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.71 -37.29 76.51 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.236 -0.438 . . . . 56.340000000000003 111.267 -176.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.471 HE21 ' HA ' ' A' ' 100' ' ' ARG . 39.6 mt-30 -56.36 -51.66 67.44 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 108.407 -0.961 . . . . 63.140000000000001 108.407 170.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -55.82 -39.58 71.57 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.688 0.995 . . . . 63.090000000000003 113.688 -179.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 36.1 p -95.75 13.46 26.45 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.296 1.591 . . . . 55.340000000000003 115.296 -179.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 58.48 38.83 91.98 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 116.541 1.377 . . . . 54.259999999999998 116.541 -174.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.74 4.26 90.31 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 116.497 1.359 . . . . 56.229999999999997 116.497 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -77.44 118.45 19.9 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.769 0.795 . . . . 65.019999999999996 109.456 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.64 -46.43 31.55 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.345 -1.298 . . . . 69.810000000000002 111.883 -171.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.93 -51.79 48.65 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.92 -0.488 . . . . 58.640000000000001 110.484 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -69.6 -36.87 76.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.161 0.288 . . . . 72.959999999999994 111.752 -174.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.66 -44.37 90.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.981 -0.748 . . . . 59.079999999999998 108.981 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.69 -47.35 93.3 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 O-C-N 123.743 0.652 . . . . 64.439999999999998 112.161 177.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' MSE . . . . . . . . . . . . . 80.0 mtp -62.58 -35.34 79.21 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 123.746 0.653 . . . . 66.650000000000006 111.528 -178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -77.77 -13.04 60.02 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 118.489 -1.285 . . . . 66.829999999999998 113.215 -176.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--O 1.241 0.655 0 O-C-N 121.831 -0.543 . . . . 63.789999999999999 112.322 -178.411 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.504 2.255 0 CA-C-O 120.764 0.316 . . . . 92.739999999999995 110.228 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' MSE . . . . . . . . . . . . . 40.6 mmm -81.79 129.25 34.67 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.011 0.924 . . . . 102.04000000000001 112.366 -177.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -127.46 142.3 51.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 84.379999999999995 110.385 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -82.12 139.78 34.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 77.459999999999994 109.609 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 23.1 tp -113.25 113.28 25.09 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.119 -1.067 . . . . 74.209999999999994 108.119 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -93.1 147.31 22.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.604 -1.18 . . . . 73.980000000000004 112.902 -171.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.31 30.33 57.05 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 115.138 0.815 . . . . 62.520000000000003 115.138 173.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.52 117.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 121.54 -0.977 . . . . 57.380000000000003 108.388 -178.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -81.41 -28.74 34.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.465 -0.789 . . . . 61.240000000000002 110.394 -176.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -176.12 138.36 0.34 Allowed 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 119.8 -0.76 . . . . 67.25 111.996 -168.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -117.66 133.55 64.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 N-CA-C 106.39 -1.708 . . . . 53.579999999999998 106.39 169.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.45 127.16 74.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.187 1.395 . . . . 53.390000000000001 109.885 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 71.8 mt -108.52 117.74 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 107.903 -1.147 . . . . 55.380000000000003 107.903 175.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -106.0 128.28 53.72 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.375 1.083 . . . . 58.43 112.331 -173.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.8 179.73 4.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.715 -1.957 . . . . 52.960000000000001 105.715 173.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -65.86 -44.25 85.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.212 -0.449 . . . . 59.649999999999999 110.685 -173.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -102.24 -8.08 21.59 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 113.904 1.076 . . . . 64.310000000000002 113.904 -169.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -167.2 165.53 15.33 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 123.599 0.562 . . . . 51.920000000000002 110.467 -173.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.79 147.4 50.42 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 123.325 0.65 . . . . 58.310000000000002 109.631 173.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.5 mt -110.73 130.07 64.77 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 N-CA-C 107.605 -1.257 . . . . 52.399999999999999 107.605 174.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mp -120.52 126.23 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 107.819 -1.178 . . . . 57.950000000000003 107.819 -176.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.36 115.32 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.362 -0.836 . . . . 55.630000000000003 109.82 170.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -85.87 140.51 30.33 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.507 0.928 . . . . 67.700000000000003 113.507 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.0 m120 37.69 56.77 4.35 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-O 121.925 0.869 . . . . 65.170000000000002 112.809 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.44 161.33 42.73 Favored 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 120.341 0.694 . . . . 59.630000000000003 112.219 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -87.87 136.48 32.94 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 105.102 -2.185 . . . . 66.129999999999995 105.102 162.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 42.7 t -137.14 128.11 40.65 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-O 121.471 0.653 . . . . 57.460000000000001 112.111 -176.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -113.51 151.17 31.87 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 124.032 0.933 . . . . 72.109999999999999 111.386 171.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 p -129.27 148.92 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.065 0.46 . . . . 61.729999999999997 112.223 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' MSE . . . . . . . . . . . . . 0.2 OUTLIER -147.07 141.92 26.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.499 -0.773 . . . . 67.609999999999999 109.788 173.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -110.4 130.09 55.63 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.678 -1.23 . . . . 66.760000000000005 107.678 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -146.49 128.6 15.61 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.461 -0.336 . . . . 65.159999999999997 110.112 176.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' MSE . . . . . . . . . . . . . 87.0 mmm 47.82 44.47 18.07 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.751 0.648 . . . . 64.319999999999993 112.751 176.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.85 -18.87 36.87 Favored Glycine 0 N--CA 1.464 0.531 0 N-CA-C 116.148 1.219 . . . . 60.5 116.148 174.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -105.45 144.98 31.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.383 -1.069 . . . . 61.030000000000001 109.725 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -94.63 141.78 28.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.182 -1.044 . . . . 59.700000000000003 108.182 171.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 17.9 m -113.55 121.16 43.4 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.651 0.78 . . . . 52.409999999999997 108.932 172.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.6 127.71 53.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 60.369999999999997 110.718 175.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -101.47 121.73 42.5 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 106.875 -1.528 . . . . 56.07 106.875 171.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -120.04 120.41 63.02 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 N-CA-C 108.321 -0.992 . . . . 49.369999999999997 108.321 -173.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 55.5 m -123.69 130.09 52.1 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.754 0.65 . . . . 51.869999999999997 112.754 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.52 -176.58 45.41 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.551 -0.62 . . . . 53.259999999999998 111.551 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -83.59 129.51 34.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.089 -0.708 . . . . 63.729999999999997 109.089 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.82 154.08 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.12 0.785 . . . . 56.82 113.12 -175.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -135.23 148.93 49.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.138 0.97 . . . . 67.290000000000006 109.681 172.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.67 126.27 52.38 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.693 -1.225 . . . . 63.299999999999997 107.693 -172.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -107.94 100.18 9.56 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.047 -1.433 . . . . 67.730000000000004 108.181 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.0 p -69.07 135.27 50.53 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.705 -1.22 . . . . 71.969999999999999 107.705 167.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.46 1.36 45.85 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 118.166 2.654 . . . . 73.260000000000005 118.166 -170.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 132.11 34.72 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.856 0.463 . . . . 84.219999999999999 111.954 175.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.14 143.85 46.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.106 0.479 . . . . 70.959999999999994 110.305 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -122.4 138.36 54.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.864 -0.607 . . . . 83.75 111.125 -172.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' MSE . . . . . . . . . . . . . 26.3 ptm -70.2 152.72 43.93 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.134 -1.061 . . . . 65.349999999999994 108.134 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.48 151.01 34.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 75.200000000000003 111.818 177.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' B' ' 80' ' ' PRO . 28.6 mm -132.09 129.7 21.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.121 -0.696 . . . . 62.579999999999998 109.121 -178.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 79' ' ' ILE . 31.7 Cg_exo -67.2 140.15 52.7 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.453 2.102 . . . . 61.079999999999998 112.884 -178.35 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -52.24 -44.43 64.83 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 124.173 0.92 . . . . 66.5 112.338 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -58.17 -38.0 75.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 124.323 1.014 . . . . 66.379999999999995 110.447 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -72.56 -46.81 52.58 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.594 -0.73 . . . . 62.960000000000001 110.356 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ILE . . . . . 1.027 HG22 ' HE2' ' B' ' 88' ' ' MSE . 96.8 mt -54.56 -50.89 55.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 120.519 -0.472 . . . . 58.539999999999999 111.923 173.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.742 ' HA ' ' HE3' ' B' ' 88' ' ' MSE . 93.4 mt-10 -60.27 -43.75 95.91 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.22 0.452 . . . . 64.719999999999999 112.22 -179.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 28.8 tp -56.34 -49.43 74.39 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.119 0.485 . . . . 64.579999999999998 112.087 175.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.89 -41.37 89.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.909 -0.404 . . . . 61.380000000000003 109.909 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' MSE . . . . . 1.027 ' HE2' HG22 ' B' ' 84' ' ' ILE . 57.9 mtm -56.84 -49.2 76.15 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.097 -0.501 . . . . 71.909999999999997 111.199 176.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -70.27 -29.33 66.08 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.428 -0.806 . . . . 63.759999999999998 112.152 -175.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -90.34 -22.38 21.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.137 0.791 . . . . 62.869999999999997 113.137 -175.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 78.5 p -117.41 -12.78 10.4 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.634 0.605 . . . . 60.170000000000002 112.634 -174.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.74 19.83 79.45 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 120.441 -0.885 . . . . 59.560000000000002 112.248 -173.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.84 153.15 23.12 Favored 'General case' 0 C--O 1.242 0.697 0 O-C-N 121.611 -0.934 . . . . 58.399999999999999 109.615 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 87.1 p -69.5 165.18 21.51 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.451 -1.25 . . . . 58.490000000000002 107.712 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -61.62 -41.95 98.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.68 -0.691 . . . . 65.659999999999997 109.66 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.98 -57.47 11.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 67.319999999999993 110.959 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -63.09 -37.48 87.38 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.198 1.185 . . . . 61.939999999999998 114.198 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.9 -41.89 81.99 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 108.623 -0.88 . . . . 56.990000000000002 108.623 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 92.8 m -63.6 -50.12 70.64 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.135 -0.939 . . . . 57.5 109.232 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -57.6 -48.42 79.45 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.111 -0.495 . . . . 77.170000000000002 111.202 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.85 -42.77 80.29 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 112.067 0.395 . . . . 55.590000000000003 112.067 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.27 -32.58 70.47 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.922 0.763 . . . . 56.25 111.555 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -67.78 -44.81 76.56 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.225 -0.657 . . . . 66.670000000000002 109.225 172.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.04 -33.73 69.32 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.602 0.964 . . . . 66.849999999999994 113.602 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 76.3 p -101.39 19.71 17.29 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.596 1.332 . . . . 55.359999999999999 114.596 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.07 32.06 70.27 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 116.559 1.384 . . . . 54.460000000000001 116.559 -176.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.24 8.24 86.65 Favored Glycine 0 N--CA 1.475 1.241 0 CA-C-N 118.617 1.209 . . . . 56.079999999999998 114.995 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -78.31 111.23 14.07 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 122.477 0.311 . . . . 63.350000000000001 110.651 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.92 -47.3 69.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.429 0.529 . . . . 69.129999999999995 112.429 -171.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.66 86.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 124.003 0.815 . . . . 58.340000000000003 110.44 -176.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -73.93 -35.36 64.58 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.141 0.793 . . . . 72.299999999999997 113.141 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.2 91.54 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 110.036 -0.357 . . . . 58.939999999999998 110.036 173.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.05 -52.14 64.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 122.098 0.951 . . . . 62.009999999999998 111.442 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' MSE . . . . . . . . . . . . . 31.2 tpp -55.99 -34.54 65.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.389 -1.278 . . . . 75.370000000000005 112.046 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -78.61 -23.18 46.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.957 -0.565 . . . . 71.329999999999998 111.525 -176.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.328 -0.355 0 C-N-CA 120.658 -0.417 . . . . 67.310000000000002 111.324 175.694 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . 0.552 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . 0.697 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_