data_2la0_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 2la0 _Structure_validation_residue.Date_analyzed 2016-10-07 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 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.511 -0.236 . . . . 73.129999999999995 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -74.99 -27.49 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 73.230000000000004 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.91 -26.91 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 75.439999999999998 111.089 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.79 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.349999999999994 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.44 -50.36 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 75.109999999999999 110.897 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.15 -28.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 75.430000000000007 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.02 -33.68 23.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.487 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.1 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 75.239999999999995 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.9 m -54.88 -26.89 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 73.019999999999996 110.89 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.25 -46.24 57.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 75.239999999999995 112.445 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -59.84 -37.76 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 75.319999999999993 111.129 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.9 -55.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 75.099999999999994 111.159 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.446 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.5 m -55.45 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.149999999999999 110.921 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.56 -41.25 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 74.019999999999996 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.27 65.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.329999999999998 111.109 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -100.69 22.15 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.847 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.49 -59.01 4.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 74.219999999999999 112.48 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.36 42.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 54.049999999999997 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.81 -52.67 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 74.329999999999998 111.111 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.84 65.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 25.25 112.474 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.446 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 90.2 m -50.44 -45.94 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 73.340000000000003 111.128 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -61.77 -30.94 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 72.510000000000005 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.35 -49.05 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.310000000000002 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.66 -25.16 64.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 75.219999999999999 111.08 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.23 -25.18 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.549999999999997 111.1 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.22 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 70.140000000000001 111.138 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 110.849 -179.799 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.37 . . . . 73.209999999999994 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.319999999999993 110.932 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.549 -0.221 . . . . 65.430000000000007 112.549 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 -56.07 -25.92 47.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 73.030000000000001 110.903 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.27 -25.4 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 74.439999999999998 111.169 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.5 -44.54 50.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 71.25 111.138 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.2 -48.68 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -59.21 -26.72 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.77 -60.54 8.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 63.310000000000002 112.508 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -24.71 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 75.25 111.101 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.52 -25.12 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.439999999999998 110.857 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.24 -52.0 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 71.219999999999999 112.493 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -56.53 -55.89 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 73.120000000000005 111.142 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.3 t -73.75 -26.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.329999999999998 111.111 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.451 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 11.7 t -55.43 -46.29 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.854 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.01 -37.7 88.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.881 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.37 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 72.329999999999998 111.073 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -100.63 -18.17 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 70.019999999999996 110.81 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.22 128.29 2.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 74.310000000000002 112.448 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.43 -19.27 64.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 73.109999999999999 112.487 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.72 -25.59 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 65.430000000000007 111.141 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 20.41 20.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 72.439999999999998 112.452 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.451 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 92.7 m -50.27 -47.93 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 72.450000000000003 111.183 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.86 -29.45 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 74.150000000000006 110.907 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.36 -28.24 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.340000000000003 110.875 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.04 81.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 62.200000000000003 111.133 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.9 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 111.126 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.97 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 111.118 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 72.049999999999997 110.876 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 t80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.889 0.376 . . . . 72.310000000000002 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.884 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.544 -0.222 . . . . 75.530000000000001 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -77.51 -34.63 54.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 73.230000000000004 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.55 -25.11 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 74.150000000000006 111.146 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.37 -32.05 48.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 111.123 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.834 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.56 -26.29 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 111.151 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.66 -20.82 72.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.349999999999994 112.448 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -59.64 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.368 . . . . 73.219999999999999 111.101 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.3 p -70.42 -24.99 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.85 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.14 -54.47 37.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 74.150000000000006 112.477 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.1 m -59.85 -34.43 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 61.299999999999997 111.152 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.31 -27.29 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 72.040000000000006 111.167 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.6 t -55.6 -45.68 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.409999999999997 110.903 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.93 -48.62 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 74.439999999999998 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.29 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 35.409999999999997 111.103 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -95.91 -18.14 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 63.539999999999999 110.879 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.61 -88.75 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 61.210000000000001 112.51 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.52 -19.51 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 44.109999999999999 112.499 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.79 -45.54 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.382 . . . . 74.200000000000003 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.87 35.73 4.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 70.5 112.487 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.453 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 89.7 m -50.49 -45.81 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.795 0.331 . . . . 72.420000000000002 111.148 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.86 -30.76 71.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.86 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.36 -49.59 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.530000000000001 110.864 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.63 -53.65 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 73.209999999999994 111.114 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.77 61.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 63.119999999999997 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.59 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 111.144 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 63.450000000000003 110.861 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.87 0.367 . . . . 71.329999999999998 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.340000000000003 110.883 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 63.310000000000002 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -57.06 -59.83 4.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.771 0.319 . . . . 73.450000000000003 110.944 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.14 -25.84 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 73.019999999999996 111.139 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.82 -25.26 56.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.140000000000001 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.05 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.519999999999996 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.75 -35.81 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 111.157 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 -60.24 7.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 70.430000000000007 112.476 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 62.140000000000001 111.104 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.02 -38.44 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 71.120000000000005 110.884 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.33 -31.56 54.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 73.219999999999999 112.482 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 m -57.55 -36.74 72.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 65.109999999999999 111.157 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -72.34 -24.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.510000000000005 111.107 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.452 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -55.33 -44.1 75.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -41.88 96.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 75.109999999999999 110.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.39 58.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.450000000000003 111.143 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -98.08 -18.14 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 73.109999999999999 110.865 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.08 -75.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 74.230000000000004 112.484 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.58 -19.43 2.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 73.420000000000002 112.517 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.8 -33.1 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 75.109999999999999 111.094 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.01 46.77 1.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 53.240000000000002 112.496 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.452 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 93.3 m -50.31 -49.11 54.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 73.25 111.156 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.85 -28.33 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 72.439999999999998 110.863 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -73.41 -32.5 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.34 93.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 63.530000000000001 111.088 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.36 59.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 51.450000000000003 111.077 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.56 -62.23 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.129999999999995 111.111 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 63.350000000000001 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.915 0.388 . . . . 75.219999999999999 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.507 -0.237 . . . . 73.109999999999999 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 72.109999999999999 110.912 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.1 m -65.53 -25.98 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.420000000000002 111.139 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.31 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.25 111.143 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.84 -52.38 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 110.864 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.17 -26.51 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 75.109999999999999 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.79 -21.25 43.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 74.120000000000005 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -59.65 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.354 . . . . 73.319999999999993 111.107 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.89 -25.71 59.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 63.329999999999998 110.875 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 -35.45 91.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 71.319999999999993 112.45 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 m -59.93 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 75.010000000000005 111.141 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 t -72.43 -29.28 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.200000000000003 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.461 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.7 t -55.36 -62.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 73.040000000000006 110.882 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 74.120000000000005 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.15 -34.95 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 22.1 12.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 62.030000000000001 110.815 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.02 -93.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 62.43 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.61 -19.31 3.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 55.219999999999999 112.499 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 m -62.82 -25.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 72.450000000000003 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.21 22.96 14.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 73.430000000000007 112.526 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.461 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 83.1 m -50.46 -40.58 51.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.778 0.323 . . . . 75.219999999999999 111.151 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.46 -34.89 76.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 65.099999999999994 110.928 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -73.41 -56.62 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 75.329999999999998 110.851 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.439999999999998 111.104 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.12 59.92 1.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 63.350000000000001 111.142 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -72.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 111.158 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 73.010000000000005 110.867 -179.852 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.864 0.364 . . . . 71.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 73.409999999999997 110.961 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.463 -0.255 . . . . 71.25 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -68.64 -32.89 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 75.420000000000002 110.899 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.46 -32.32 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 75.319999999999993 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.29 -37.5 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 64.219999999999999 111.135 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.81 -40.13 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 75.099999999999994 110.855 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.04 -60.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 65.319999999999993 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.59 -21.63 65.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 41.219999999999999 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.29 -23.22 65.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 70.430000000000007 111.125 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 m -51.83 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.219999999999999 110.913 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.86 126.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 71.120000000000005 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -60.1 -19.59 54.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.34 . . . . 75.319999999999993 111.136 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.99 -17.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 74.329999999999998 111.117 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.446 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 15.7 t -55.12 -64.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 65.200000000000003 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.06 -29.65 70.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 74.299999999999997 110.932 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -23.3 48.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.010000000000005 111.065 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -94.91 22.04 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 64.400000000000006 110.881 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.32 -49.27 3.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 63.5 112.468 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.55 -19.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 62.399999999999999 112.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.77 -28.0 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 73.340000000000003 111.127 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.51 -11.08 69.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 65.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.446 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 95.3 m -50.1 -51.09 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.312 . . . . 72.200000000000003 111.136 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -61.03 -27.14 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.120000000000005 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -77.93 -61.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.5 110.85 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -60.06 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 60.329999999999998 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.23 60.04 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.140000000000001 111.058 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.57 -70.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 70.319999999999993 111.105 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.030000000000001 110.866 -179.783 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 74.230000000000004 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.905 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.245 . . . . 71.200000000000003 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -66.86 -26.0 66.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 75.129999999999995 110.942 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.37 -29.75 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.230000000000004 111.1 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.92 -31.96 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 111.092 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 m -66.3 -28.89 69.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.219999999999999 110.849 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.84 -26.41 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 61.420000000000002 111.134 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.42 -49.7 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 74.409999999999997 112.48 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.31 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 73.510000000000005 111.109 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.485 ' SG ' ' CA ' ' A' ' 25' ' ' ALA . 1.3 m -61.27 -40.39 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 61.140000000000001 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.19 -36.77 57.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 52.119999999999997 112.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 m -57.69 -55.33 36.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 74.329999999999998 111.145 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -72.49 -24.96 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 111.139 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.46 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 2.0 t -55.38 -28.57 54.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 70.420000000000002 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.94 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 74.120000000000005 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -29.19 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 75.450000000000003 111.12 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -96.68 22.08 8.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.510000000000005 110.842 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.76 122.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 73.430000000000007 112.463 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.76 -18.53 68.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 60.219999999999999 112.523 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.71 -27.58 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 70.340000000000003 111.167 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.5 40.8 2.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 62.350000000000001 112.513 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.46 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 94.4 m -50.1 -48.95 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 73.540000000000006 111.152 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.83 -29.04 69.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.010000000000005 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.4 -38.43 65.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 75.019999999999996 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.55 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.549999999999997 111.149 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 1.485 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . . . -71.93 78.78 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 61.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.74 -67.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 61.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 63.539999999999999 110.837 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.895 0.379 . . . . 75.25 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 72.129999999999995 110.931 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 73.150000000000006 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -64.4 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 75.510000000000005 110.911 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.32 -26.48 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 75.219999999999999 111.139 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 -38.87 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 63.049999999999997 111.11 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.7 -45.45 75.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.837 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.83 -33.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 111.131 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.53 -31.87 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 73.230000000000004 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.69 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 71.150000000000006 111.032 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.478 ' SG ' ' CA ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -51.99 -40.14 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 110.898 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.29 66.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 63.509999999999998 112.498 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -56.58 -35.22 67.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 73.420000000000002 111.145 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.87 -38.2 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 73.439999999999998 111.152 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.438 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 4.5 m -56.09 -27.8 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 73.150000000000006 110.876 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -38.6 91.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.409999999999997 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.27 -30.41 62.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 111.083 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -100.49 -18.11 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 62.530000000000001 110.865 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.02 -19.17 27.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 61.210000000000001 112.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.01 23.7 3.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 75.140000000000001 112.434 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.31 -43.06 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 74.109999999999999 111.13 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.2 54.21 0.76 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 71.530000000000001 112.473 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.438 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 97.1 m -49.75 -51.38 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 64.209999999999994 111.136 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.73 -27.97 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 71.549999999999997 110.862 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.93 -42.44 60.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 65.430000000000007 110.866 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.32 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 64.340000000000003 111.107 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 1.478 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . . . -76.0 66.29 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.219999999999999 111.064 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.68 -76.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.510000000000005 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 72.420000000000002 110.878 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.931 0.396 . . . . 75.430000000000007 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.409999999999997 110.917 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.517 -0.233 . . . . 71.129999999999995 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -66.63 -48.39 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.339 . . . . 74.430000000000007 110.936 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.52 -30.12 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.120000000000005 111.117 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.21 -41.25 61.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 71.109999999999999 111.132 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.7 t -62.05 -38.33 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.239999999999995 111.119 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.73 -40.19 18.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 64.450000000000003 112.467 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -20.46 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 70.310000000000002 111.096 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.78 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 62.340000000000003 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.25 117.1 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.76 . . . . 63.43 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -60.38 -18.4 50.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 74.340000000000003 111.11 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.71 -19.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.340000000000003 111.164 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.448 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.5 t -55.21 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 74.019999999999996 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 74.319999999999993 110.943 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -35.4 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 70.310000000000002 111.114 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 m -100.73 22.04 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 70.299999999999997 110.895 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.34 127.17 5.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 74.010000000000005 112.499 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.21 -20.19 42.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 53.450000000000003 112.487 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.68 -34.15 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 74.219999999999999 111.142 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.81 1.2 89.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 71.329999999999998 112.487 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.448 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 51.8 m -53.02 -27.77 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 65.019999999999996 111.174 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.69 -27.05 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 74.349999999999994 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.98 -61.77 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 64.340000000000003 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -60.01 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.120000000000005 111.079 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.06 60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.030000000000001 111.122 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -71.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 72.239999999999995 111.114 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 72.230000000000004 110.896 -179.776 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.889 0.376 . . . . 72.209999999999994 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 65.209999999999994 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.48 -0.248 . . . . 61.119999999999997 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -73.0 -34.25 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 73.129999999999995 110.895 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.33 -24.87 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 75.030000000000001 111.147 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.32 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.340000000000003 111.111 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.73 -24.72 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 62.509999999999998 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -58.67 -60.74 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.310000000000002 111.159 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.15 -28.28 53.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 65.5 112.467 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -12.59 61.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 70.010000000000005 111.119 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.65 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 65.319999999999993 110.873 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.02 128.62 1.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 74.299999999999997 112.486 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -61.22 -17.17 51.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 74.219999999999999 111.121 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.34 -16.99 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 75.310000000000002 111.151 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.466 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.3 m -55.12 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.519999999999996 110.908 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.68 -45.29 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.219999999999999 110.957 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -25.23 58.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.081 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -94.44 -18.19 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 110.875 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.28 -36.27 4.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 63.130000000000003 112.493 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.93 -19.06 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 73.549999999999997 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.81 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 63.210000000000001 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.44 -17.91 29.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 63.240000000000002 112.495 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.466 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 99.2 m -49.71 -58.15 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 75.120000000000005 111.16 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.75 -24.74 67.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.200000000000003 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -73.24 -61.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.25 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -26.15 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 74.409999999999997 111.086 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.43 -20.72 57.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 74.519999999999996 111.16 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 62.340000000000003 111.094 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 72.010000000000005 110.847 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.936 0.398 . . . . 71.319999999999993 110.883 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 65.450000000000003 110.899 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 72.430000000000007 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -74.1 -27.29 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 75.209999999999994 110.923 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.44 -25.15 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 71.019999999999996 111.127 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.83 -25.42 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 70.030000000000001 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -67.51 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.549999999999997 110.868 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.09 -26.13 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 72.400000000000006 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.67 -35.58 38.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 73.129999999999995 112.477 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.41 -51.3 45.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 74.209999999999994 111.068 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.46 ' SG ' ' CA ' ' A' ' 25' ' ' ALA . 70.2 m -53.4 -49.54 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.310000000000002 110.857 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -39.05 65.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 71.450000000000003 112.457 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -56.63 -44.34 81.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 71.230000000000004 111.164 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.89 -45.02 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 74.030000000000001 111.162 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.8 m -55.67 -40.19 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 73.120000000000005 110.915 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.38 -40.19 93.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 73.349999999999994 110.913 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.69 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.129999999999995 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -100.48 -18.11 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 75.120000000000005 110.885 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.32 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 63.020000000000003 112.503 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.33 33.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 54.310000000000002 112.478 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.79 -48.87 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 65.129999999999995 111.094 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.28 55.39 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 75.430000000000007 112.481 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.453 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 95.5 m -49.89 -49.47 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 70.329999999999998 111.159 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.97 -30.08 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -73.41 -41.93 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 75.129999999999995 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.47 76.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.219999999999999 111.115 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 1.46 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . . . -69.62 83.89 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.128 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.019999999999996 111.106 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 70.439999999999998 110.817 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.873 0.368 . . . . 74.329999999999998 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.219999999999999 110.888 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.481 -0.248 . . . . 64.049999999999997 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -62.97 -58.83 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.779 0.323 . . . . 75.540000000000006 110.932 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.28 -25.2 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.21 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.549999999999997 111.081 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -44.72 76.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 74.530000000000001 110.889 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.79 -26.28 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 75.549999999999997 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.53 42.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 74.319999999999993 112.493 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.67 -13.62 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 73.150000000000006 111.06 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 t -86.39 5.76 33.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 74.230000000000004 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.39 -120.71 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 44.439999999999998 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -57.59 -26.55 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 74.439999999999998 111.114 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.97 -39.8 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 72.219999999999999 111.178 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.463 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 33.2 t -56.92 -50.97 70.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 75.299999999999997 110.864 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.97 -47.94 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.230000000000004 110.903 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.56 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 64.530000000000001 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -98.47 22.09 10.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 61.439999999999998 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.73 127.35 6.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 75.439999999999998 112.481 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.55 55.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.772 -0.728 . . . . 71.129999999999995 112.445 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 m -62.8 -24.4 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 72.209999999999994 111.08 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.09 -8.61 87.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 72.109999999999999 112.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.463 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 98.9 m -49.6 -60.83 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 71.109999999999999 111.142 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.46 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.549999999999997 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -73.6 -61.46 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.69 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 53.109999999999999 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.26 -29.88 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 111.109 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -75.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.109999999999999 111.134 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.319999999999993 110.908 -179.805 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.915 0.388 . . . . 71.209999999999994 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.540000000000006 110.893 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.44 -0.264 . . . . 64.099999999999994 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -55.9 -45.95 78.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 73.319999999999993 110.966 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.49 -28.47 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 62.450000000000003 111.123 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.64 -36.68 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 62.109999999999999 111.065 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -46.45 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.420000000000002 110.849 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.31 -28.55 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.129999999999995 111.113 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.34 -56.01 3.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 71.109999999999999 112.53 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -11.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 74.219999999999999 111.132 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.409999999999997 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.26 130.23 1.65 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 71.549999999999997 112.477 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 m -61.89 -15.95 46.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 72.019999999999996 111.11 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.17 -26.28 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 72.209999999999994 111.134 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.439 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -54.31 -54.16 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.140000000000001 110.918 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.01 -41.97 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 71.200000000000003 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.23 48.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 63.229999999999997 111.123 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -93.9 -18.2 22.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.833 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.32 -44.68 2.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 55.409999999999997 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.87 -33.74 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 65.219999999999999 112.519 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.31 -24.02 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 72.420000000000002 111.153 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.85 -16.69 54.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 62.130000000000003 112.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.439 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 90.9 m -50.42 -50.82 50.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 64.010000000000005 111.134 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.7 -26.53 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 64.420000000000002 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -78.53 -62.5 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.6 -60.32 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 54.530000000000001 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.52 67.36 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 60.43 111.097 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -62.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 65.209999999999994 111.102 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.409999999999997 110.839 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.861 0.362 . . . . 73.150000000000006 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.540000000000006 110.911 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.505 -0.238 . . . . 73.200000000000003 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -74.43 -54.4 7.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 75.510000000000005 110.906 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.34 -25.65 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.230000000000004 111.092 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.85 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 74.030000000000001 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -64.94 -54.35 32.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 71.420000000000002 110.872 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -60.0 -26.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 111.133 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.07 -61.21 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 74.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.31 71.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 60.240000000000002 111.14 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.469 ' SG ' ' CA ' ' A' ' 25' ' ' ALA . 1.7 m -52.26 -57.04 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 74.120000000000005 110.908 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.45 135.09 2.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 73.209999999999994 112.445 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -62.56 -14.88 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 71.400000000000006 111.179 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -69.29 -22.68 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 71.140000000000001 111.165 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.468 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 4.6 t -55.01 -54.95 36.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 62.229999999999997 110.875 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.83 -27.7 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 75.519999999999996 110.904 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -24.08 52.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 111.086 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 m -95.1 22.11 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.851 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.63 19.52 54.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 74.109999999999999 112.484 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.73 -24.56 29.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 52.409999999999997 112.478 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.76 -25.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 74.109999999999999 111.153 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.97 -9.4 62.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 70.230000000000004 112.455 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.468 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 90.4 m -50.38 -45.32 55.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 72.040000000000006 111.084 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.04 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -78.94 -63.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.430000000000007 110.875 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.55 -60.86 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 111.089 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 1.469 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . . . -83.64 51.64 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 70.230000000000004 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.57 -68.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.219999999999999 111.129 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 110.827 -179.775 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.868 0.366 . . . . 74.310000000000002 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 110.914 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.525 -0.23 . . . . 71.349999999999994 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.71 -60.28 2.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.808 0.337 . . . . 73.420000000000002 110.91 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -62.7 -24.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 73.209999999999994 111.09 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.95 -27.54 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 55.240000000000002 111.112 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.84 -51.74 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 110.856 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.95 -30.56 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 73.109999999999999 111.196 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.62 -31.0 46.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 64.140000000000001 112.451 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.13 -22.19 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 64.530000000000001 111.122 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 65.439999999999998 110.859 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.35 123.74 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 71.310000000000002 112.463 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 p -63.32 87.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 72.010000000000005 111.16 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.62 -54.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 63.399999999999999 111.138 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.445 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 8.0 p -54.16 -31.14 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.878 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.86 -60.27 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 -30.79 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 111.089 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -101.08 19.28 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 63.219999999999999 110.89 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.8 119.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 72.230000000000004 112.491 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.29 114.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 50.039999999999999 112.465 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.95 -16.48 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 75.030000000000001 111.113 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.46 34.39 4.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 71.239999999999995 112.491 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.445 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 53.2 m -53.95 -25.22 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 64.420000000000002 111.155 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.08 -16.54 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 71.239999999999995 110.905 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -72.06 -21.45 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.430000000000007 110.833 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -53.53 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 70.519999999999996 111.06 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 62.350000000000001 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.52 -71.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 65.299999999999997 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 73.010000000000005 110.846 -179.784 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.899 0.381 . . . . 74.129999999999995 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.109999999999999 110.953 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 71.230000000000004 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -64.99 -27.82 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 73.439999999999998 110.953 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.2 -27.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 72.129999999999995 111.114 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.61 -41.21 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 71.329999999999998 111.138 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -45.18 77.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.239999999999995 110.887 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p -59.14 -26.34 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 111.092 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.28 -49.74 5.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 74.329999999999998 112.514 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 72.219999999999999 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.475 ' SG ' ' CA ' ' A' ' 25' ' ' ALA . 1.2 m -51.87 -68.67 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.872 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.87 122.67 1.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 70.219999999999999 112.51 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -60.97 -17.6 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 73.209999999999994 111.106 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.47 -13.76 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.25 111.125 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.436 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.3 m -55.15 -57.81 10.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 65.120000000000005 110.869 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -44.68 80.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.899 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -24.9 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 111.094 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -94.22 -18.14 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.100000000000001 110.823 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.68 -37.74 3.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 74.120000000000005 112.476 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.28 -19.28 0.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 75.439999999999998 112.514 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.84 -25.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 74.340000000000003 111.127 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.69 -18.11 31.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 71.219999999999999 112.464 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.436 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 99.5 m -49.66 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 72.439999999999998 111.14 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.81 -23.78 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 72.530000000000001 110.91 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -73.35 -60.32 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 74.230000000000004 110.862 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.65 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 64.420000000000002 111.053 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 1.475 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . . . -70.65 81.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 51.32 111.107 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -71.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 111.117 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.25 110.878 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.894 0.378 . . . . 72.340000000000003 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 75.540000000000006 110.939 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.551 -0.219 . . . . 62.219999999999999 112.551 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -61.13 -33.05 72.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 74.439999999999998 110.942 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -61.35 -24.61 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.530000000000001 111.141 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.48 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 71.310000000000002 111.142 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.77 -43.57 79.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 65.319999999999993 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.8 m -61.1 -34.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.25 111.127 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.58 -50.55 4.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 75.340000000000003 112.511 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -10.05 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 65.340000000000003 111.088 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 72.409999999999997 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.72 102.5 0.16 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 51.039999999999999 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -12.38 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 73.030000000000001 111.17 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 t -68.8 -56.78 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.349999999999994 111.113 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.45 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 11.0 p -56.36 -24.4 44.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 75.519999999999996 110.851 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.55 -22.04 65.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.420000000000002 110.922 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.17 36.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 111.099 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 m -93.28 22.06 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 63.32 110.873 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.55 -80.26 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 73.409999999999997 112.494 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.51 -35.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 63.130000000000003 112.495 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.69 -22.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 64.129999999999995 111.172 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.98 -36.38 28.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 73.439999999999998 112.459 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.45 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 67.5 m -51.63 -26.32 8.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 72.25 111.151 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.01 -24.37 53.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.140000000000001 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -73.09 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -19.46 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 63.43 111.098 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -10.7 59.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 73.140000000000001 111.095 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.44 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 111.12 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 73.439999999999998 110.844 -179.765 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.885 0.374 . . . . 61.240000000000002 110.887 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.549999999999997 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.521 -0.232 . . . . 75.420000000000002 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -60.82 -25.85 66.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 72.310000000000002 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -62.72 -30.22 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.430000000000007 111.126 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.24 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 71.319999999999993 111.071 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.4 t -67.74 -47.83 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.450000000000003 110.895 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 m -58.84 -32.54 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 111.105 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.38 -50.36 7.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 75.019999999999996 112.497 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.95 -11.04 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 73.219999999999999 111.08 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -18.56 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.049999999999997 110.843 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 68.59 2.17 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 74.540000000000006 112.453 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 t -179.0 143.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 74.409999999999997 111.139 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 t 67.05 13.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.040000000000006 111.128 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.439 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 7.5 t -57.27 -24.95 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.510000000000005 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -64.04 -25.29 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.019999999999996 110.912 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.03 44.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 65.510000000000005 111.138 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 t -94.14 -18.1 22.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.430000000000007 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 18.77 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 73.230000000000004 112.492 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.71 -55.84 4.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 74.299999999999997 112.484 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.7 -17.69 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 73.310000000000002 111.151 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.49 33.04 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 73.200000000000003 112.531 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.439 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 99.8 m -50.0 -61.56 2.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 64.319999999999993 111.15 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.15 -17.57 58.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 74.109999999999999 110.843 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.01 -28.63 62.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 71.209999999999994 110.922 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -21.92 61.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.120000000000005 111.092 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.77 -19.76 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 71.439999999999998 111.051 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.84 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 41.119999999999997 111.099 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.450000000000003 110.822 -179.754 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.879 0.371 . . . . 62.25 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 72.420000000000002 110.915 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.446 -0.262 . . . . 64.340000000000003 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -53.65 -32.52 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.343 . . . . 74.340000000000003 110.931 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.41 -46.05 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.409999999999997 111.135 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.78 -18.33 54.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 111.139 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -64.67 -24.99 67.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 65.450000000000003 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -58.84 -26.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 72.25 111.128 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.86 -60.3 4.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 71.109999999999999 112.524 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.22 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 75.230000000000004 111.102 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.82 -22.05 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.841 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.57 -48.3 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 34.520000000000003 112.465 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -59.94 -54.88 40.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 74.340000000000003 111.124 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.27 -26.6 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 74.510000000000005 111.146 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.395 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 42.6 t -55.39 -39.97 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.030000000000001 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.89 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 75.230000000000004 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -25.26 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 111.112 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -100.12 22.11 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 51.539999999999999 110.896 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.01 106.62 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 74.129999999999995 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.84 64.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 73.420000000000002 112.5 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.7 -23.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 65.409999999999997 111.092 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.79 41.33 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 64.109999999999999 112.514 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.395 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 71.1 p -48.23 -63.79 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 73.439999999999998 111.19 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -58.71 -22.38 57.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 71.340000000000003 110.903 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -73.31 -29.27 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.47 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.129999999999995 111.089 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.53 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 65.5 111.094 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.57 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 60.450000000000003 111.099 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 71.409999999999997 110.87 -179.787 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.891 0.377 . . . . 72.230000000000004 110.903 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.120000000000005 110.952 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 61.310000000000002 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -75.25 -27.57 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 73.329999999999998 110.947 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 m -65.35 -27.58 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 111.136 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.44 -42.77 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 51.009999999999998 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.45 -45.93 74.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 62.229999999999997 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.33 -26.77 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 111.082 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.97 -41.43 8.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 61.100000000000001 112.51 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.4 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 74.230000000000004 111.127 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -18.48 61.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.319999999999993 110.865 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.9 -46.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 73.519999999999996 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 p -56.56 -44.3 80.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 73.420000000000002 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -72.35 -39.47 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.150000000000006 111.079 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.418 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 16.7 t -58.6 -52.24 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.140000000000001 110.866 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.23 95.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.905 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.43 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 73.230000000000004 111.139 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.9 m -95.53 22.11 7.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.140000000000001 110.865 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.16 -56.67 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 71.109999999999999 112.504 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.31 21.4 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 63.43 112.512 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.55 -48.34 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 75.219999999999999 111.116 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.76 59.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 72.230000000000004 112.506 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.418 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 71.8 p -48.09 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 71.439999999999998 111.132 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -59.32 -22.87 61.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.510000000000005 110.877 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.37 -42.47 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 75.150000000000006 110.853 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 74.209999999999994 111.112 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.31 59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 61.200000000000003 111.086 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -72.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 61.439999999999998 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.857 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.871 0.367 . . . . 74.340000000000003 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 72.409999999999997 110.925 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.511 -0.236 . . . . 73.129999999999995 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -74.99 -27.49 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 73.230000000000004 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.91 -26.91 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 75.439999999999998 111.089 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.79 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.349999999999994 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.44 -50.36 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 75.109999999999999 110.897 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.15 -28.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 75.430000000000007 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.02 -33.68 23.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.487 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.1 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 75.239999999999995 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.9 m -54.88 -26.89 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 73.019999999999996 110.89 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.25 -46.24 57.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 75.239999999999995 112.445 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -59.84 -37.76 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 75.319999999999993 111.129 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.9 -55.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 75.099999999999994 111.159 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.446 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.5 m -55.45 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.149999999999999 110.921 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.56 -41.25 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 74.019999999999996 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.27 65.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.329999999999998 111.109 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -100.69 22.15 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.847 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.49 -59.01 4.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 74.219999999999999 112.48 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.36 42.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 54.049999999999997 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.81 -52.67 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 74.329999999999998 111.111 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.84 65.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 25.25 112.474 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.446 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 90.2 m -50.44 -45.94 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 73.340000000000003 111.128 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -61.77 -30.94 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 72.510000000000005 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.35 -49.05 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.310000000000002 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.66 -25.16 64.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 75.219999999999999 111.08 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.23 -25.18 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.549999999999997 111.1 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.22 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 70.140000000000001 111.138 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.4 p -52.93 -52.91 56.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 110.849 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -81.46 -45.28 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.319999999999993 110.932 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.549 -0.221 . . . . 65.430000000000007 112.549 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 -56.07 -25.92 47.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 73.030000000000001 110.903 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.27 -25.4 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 74.439999999999998 111.169 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.5 -44.54 50.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 71.25 111.138 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.2 -48.68 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -59.21 -26.72 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.77 -60.54 8.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 63.310000000000002 112.508 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -24.71 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 75.25 111.101 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.52 -25.12 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.439999999999998 110.857 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.24 -52.0 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 71.219999999999999 112.493 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -56.53 -55.89 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 73.120000000000005 111.142 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.3 t -73.75 -26.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.329999999999998 111.111 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.451 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 11.7 t -55.43 -46.29 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.854 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.01 -37.7 88.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.881 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.37 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 72.329999999999998 111.073 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -100.63 -18.17 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 70.019999999999996 110.81 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.22 128.29 2.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 74.310000000000002 112.448 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.43 -19.27 64.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 73.109999999999999 112.487 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.72 -25.59 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 65.430000000000007 111.141 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 20.41 20.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 72.439999999999998 112.452 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.451 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 92.7 m -50.27 -47.93 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 72.450000000000003 111.183 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.86 -29.45 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 74.150000000000006 110.907 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.36 -28.24 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.340000000000003 110.875 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.04 81.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 62.200000000000003 111.133 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.9 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 111.126 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.97 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 111.118 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t -53.33 -65.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 72.049999999999997 110.876 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -77.13 -26.28 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 72.310000000000002 110.883 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.884 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.544 -0.222 . . . . 75.530000000000001 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -77.51 -34.63 54.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 73.230000000000004 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.55 -25.11 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 74.150000000000006 111.146 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.37 -32.05 48.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 111.123 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.834 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.56 -26.29 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 111.151 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.66 -20.82 72.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.349999999999994 112.448 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -59.64 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.368 . . . . 73.219999999999999 111.101 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.3 p -70.42 -24.99 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.85 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.14 -54.47 37.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 74.150000000000006 112.477 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.1 m -59.85 -34.43 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 61.299999999999997 111.152 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.31 -27.29 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 72.040000000000006 111.167 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.6 t -55.6 -45.68 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.409999999999997 110.903 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.93 -48.62 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 74.439999999999998 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.29 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 35.409999999999997 111.103 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -95.91 -18.14 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 63.539999999999999 110.879 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.61 -88.75 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 61.210000000000001 112.51 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.52 -19.51 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 44.109999999999999 112.499 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.79 -45.54 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.382 . . . . 74.200000000000003 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.87 35.73 4.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 70.5 112.487 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.453 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 89.7 m -50.49 -45.81 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.795 0.331 . . . . 72.420000000000002 111.148 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.86 -30.76 71.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.86 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.36 -49.59 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.530000000000001 110.864 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.63 -53.65 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 73.209999999999994 111.114 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.77 61.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 63.119999999999997 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.59 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 111.144 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.09 125.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 63.450000000000003 110.861 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -77.4 -57.22 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 71.329999999999998 110.892 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.340000000000003 110.883 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 63.310000000000002 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -57.06 -59.83 4.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.771 0.319 . . . . 73.450000000000003 110.944 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.14 -25.84 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 73.019999999999996 111.139 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.82 -25.26 56.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.140000000000001 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.05 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.519999999999996 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.75 -35.81 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 111.157 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 -60.24 7.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 70.430000000000007 112.476 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 62.140000000000001 111.104 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.02 -38.44 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 71.120000000000005 110.884 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.33 -31.56 54.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 73.219999999999999 112.482 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 m -57.55 -36.74 72.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 65.109999999999999 111.157 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -72.34 -24.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.510000000000005 111.107 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.452 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -55.33 -44.1 75.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -41.88 96.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 75.109999999999999 110.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.39 58.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.450000000000003 111.143 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -98.08 -18.14 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 73.109999999999999 110.865 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.08 -75.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 74.230000000000004 112.484 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.58 -19.43 2.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 73.420000000000002 112.517 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.8 -33.1 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 75.109999999999999 111.094 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.01 46.77 1.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 53.240000000000002 112.496 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.452 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 93.3 m -50.31 -49.11 54.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 73.25 111.156 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.85 -28.33 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 72.439999999999998 110.863 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -73.41 -32.5 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.34 93.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 63.530000000000001 111.088 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.36 59.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 51.450000000000003 111.077 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.56 -62.23 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.129999999999995 111.111 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.14 105.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 63.350000000000001 110.873 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -79.63 -44.06 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 75.219999999999999 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.507 -0.237 . . . . 73.109999999999999 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 72.109999999999999 110.912 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.1 m -65.53 -25.98 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.420000000000002 111.139 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.31 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.25 111.143 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.84 -52.38 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 110.864 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.17 -26.51 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 75.109999999999999 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.79 -21.25 43.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 74.120000000000005 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -59.65 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.354 . . . . 73.319999999999993 111.107 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.89 -25.71 59.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 63.329999999999998 110.875 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 -35.45 91.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 71.319999999999993 112.45 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 m -59.93 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 75.010000000000005 111.141 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 t -72.43 -29.28 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.200000000000003 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.461 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.7 t -55.36 -62.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 73.040000000000006 110.882 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 74.120000000000005 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.15 -34.95 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 22.1 12.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 62.030000000000001 110.815 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.02 -93.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 62.43 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.61 -19.31 3.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 55.219999999999999 112.499 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 m -62.82 -25.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 72.450000000000003 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.21 22.96 14.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 73.430000000000007 112.526 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.461 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 83.1 m -50.46 -40.58 51.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.778 0.323 . . . . 75.219999999999999 111.151 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.46 -34.89 76.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 65.099999999999994 110.928 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -73.41 -56.62 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 75.329999999999998 110.851 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.439999999999998 111.104 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.12 59.92 1.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 63.350000000000001 111.142 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -72.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 111.158 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t 178.08 128.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 73.010000000000005 110.867 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -77.53 -31.26 53.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 71.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 73.409999999999997 110.961 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.463 -0.255 . . . . 71.25 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -68.64 -32.89 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 75.420000000000002 110.899 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.46 -32.32 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 75.319999999999993 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.29 -37.5 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 64.219999999999999 111.135 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.81 -40.13 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 75.099999999999994 110.855 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.04 -60.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 65.319999999999993 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.59 -21.63 65.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 41.219999999999999 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.29 -23.22 65.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 70.430000000000007 111.125 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 m -51.83 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.219999999999999 110.913 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.86 126.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 71.120000000000005 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -60.1 -19.59 54.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.34 . . . . 75.319999999999993 111.136 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.99 -17.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 74.329999999999998 111.117 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.446 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 15.7 t -55.12 -64.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 65.200000000000003 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.06 -29.65 70.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 74.299999999999997 110.932 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -23.3 48.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.010000000000005 111.065 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -94.91 22.04 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 64.400000000000006 110.881 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.32 -49.27 3.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 63.5 112.468 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.55 -19.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 62.399999999999999 112.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.77 -28.0 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 73.340000000000003 111.127 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.51 -11.08 69.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 65.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.446 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 95.3 m -50.1 -51.09 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.312 . . . . 72.200000000000003 111.136 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -61.03 -27.14 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.120000000000005 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -77.93 -61.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.5 110.85 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -60.06 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 60.329999999999998 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.23 60.04 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.140000000000001 111.058 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.57 -70.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 70.319999999999993 111.105 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p 178.09 105.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.030000000000001 110.866 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -78.72 -44.29 23.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 74.230000000000004 110.895 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.905 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.245 . . . . 71.200000000000003 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -66.86 -26.0 66.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 75.129999999999995 110.942 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.37 -29.75 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.230000000000004 111.1 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.92 -31.96 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 111.092 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 m -66.3 -28.89 69.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.219999999999999 110.849 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.84 -26.41 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 61.420000000000002 111.134 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.42 -49.7 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 74.409999999999997 112.48 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.31 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 73.510000000000005 111.109 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.485 ' SG ' ' CA ' ' A' ' 25' ' ' ALA . 1.3 m -61.27 -40.39 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 61.140000000000001 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.19 -36.77 57.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 52.119999999999997 112.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 m -57.69 -55.33 36.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 74.329999999999998 111.145 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -72.49 -24.96 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 111.139 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.46 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 2.0 t -55.38 -28.57 54.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 70.420000000000002 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.94 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 74.120000000000005 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -29.19 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 75.450000000000003 111.12 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -96.68 22.08 8.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.510000000000005 110.842 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.76 122.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 73.430000000000007 112.463 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.76 -18.53 68.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 60.219999999999999 112.523 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.71 -27.58 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 70.340000000000003 111.167 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.5 40.8 2.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 62.350000000000001 112.513 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.46 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 94.4 m -50.1 -48.95 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 73.540000000000006 111.152 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.83 -29.04 69.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.010000000000005 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.4 -38.43 65.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 75.019999999999996 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.55 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.549999999999997 111.149 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 1.485 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . . . -71.93 78.78 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 61.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.74 -67.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 61.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.12 105.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 63.539999999999999 110.837 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -79.27 -27.04 42.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.925 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 72.129999999999995 110.931 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 73.150000000000006 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -64.4 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 75.510000000000005 110.911 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.32 -26.48 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 75.219999999999999 111.139 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 -38.87 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 63.049999999999997 111.11 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.7 -45.45 75.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.837 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.83 -33.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 111.131 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.53 -31.87 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 73.230000000000004 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.69 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 71.150000000000006 111.032 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.478 ' SG ' ' CA ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -51.99 -40.14 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 110.898 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.29 66.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 63.509999999999998 112.498 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -56.58 -35.22 67.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 73.420000000000002 111.145 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.87 -38.2 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 73.439999999999998 111.152 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.438 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 4.5 m -56.09 -27.8 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 73.150000000000006 110.876 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -38.6 91.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.409999999999997 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.27 -30.41 62.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 111.083 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -100.49 -18.11 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 62.530000000000001 110.865 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.02 -19.17 27.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 61.210000000000001 112.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.01 23.7 3.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 75.140000000000001 112.434 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.31 -43.06 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 74.109999999999999 111.13 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.2 54.21 0.76 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 71.530000000000001 112.473 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.438 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 97.1 m -49.75 -51.38 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 64.209999999999994 111.136 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.73 -27.97 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 71.549999999999997 110.862 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.93 -42.44 60.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 65.430000000000007 110.866 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.32 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 64.340000000000003 111.107 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 1.478 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . . . -76.0 66.29 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.219999999999999 111.064 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.68 -76.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.510000000000005 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.1 90.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 72.420000000000002 110.878 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -76.96 -29.14 55.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 75.430000000000007 110.919 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.409999999999997 110.917 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.517 -0.233 . . . . 71.129999999999995 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -66.63 -48.39 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.339 . . . . 74.430000000000007 110.936 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.52 -30.12 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.120000000000005 111.117 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.21 -41.25 61.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 71.109999999999999 111.132 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.7 t -62.05 -38.33 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.239999999999995 111.119 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.73 -40.19 18.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 64.450000000000003 112.467 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -20.46 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 70.310000000000002 111.096 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.78 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 62.340000000000003 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.25 117.1 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.76 . . . . 63.43 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -60.38 -18.4 50.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 74.340000000000003 111.11 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.71 -19.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.340000000000003 111.164 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.448 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.5 t -55.21 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 74.019999999999996 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 74.319999999999993 110.943 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -35.4 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 70.310000000000002 111.114 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 m -100.73 22.04 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 70.299999999999997 110.895 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.34 127.17 5.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 74.010000000000005 112.499 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.21 -20.19 42.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 53.450000000000003 112.487 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.68 -34.15 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 74.219999999999999 111.142 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.81 1.2 89.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 71.329999999999998 112.487 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.448 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 51.8 m -53.02 -27.77 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 65.019999999999996 111.174 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.69 -27.05 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 74.349999999999994 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.98 -61.77 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 64.340000000000003 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -60.01 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.120000000000005 111.079 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.06 60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.030000000000001 111.122 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -71.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 72.239999999999995 111.114 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t 178.11 102.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 72.230000000000004 110.896 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -77.35 -43.92 31.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 72.209999999999994 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 65.209999999999994 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.48 -0.248 . . . . 61.119999999999997 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -73.0 -34.25 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 73.129999999999995 110.895 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.33 -24.87 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 75.030000000000001 111.147 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.32 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.340000000000003 111.111 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.73 -24.72 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 62.509999999999998 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -58.67 -60.74 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.310000000000002 111.159 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.15 -28.28 53.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 65.5 112.467 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -12.59 61.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 70.010000000000005 111.119 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.65 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 65.319999999999993 110.873 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.02 128.62 1.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 74.299999999999997 112.486 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -61.22 -17.17 51.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 74.219999999999999 111.121 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.34 -16.99 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 75.310000000000002 111.151 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.466 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.3 m -55.12 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.519999999999996 110.908 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.68 -45.29 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.219999999999999 110.957 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -25.23 58.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.081 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -94.44 -18.19 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 110.875 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.28 -36.27 4.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 63.130000000000003 112.493 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.93 -19.06 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 73.549999999999997 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.81 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 63.210000000000001 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.44 -17.91 29.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 63.240000000000002 112.495 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.466 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 99.2 m -49.71 -58.15 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 75.120000000000005 111.16 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.75 -24.74 67.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.200000000000003 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -73.24 -61.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.25 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -26.15 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 74.409999999999997 111.086 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.43 -20.72 57.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 74.519999999999996 111.16 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 62.340000000000003 111.094 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 p -52.91 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 72.010000000000005 110.847 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -76.88 -24.99 52.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 110.883 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 65.450000000000003 110.899 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 72.430000000000007 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -74.1 -27.29 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 75.209999999999994 110.923 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.44 -25.15 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 71.019999999999996 111.127 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.83 -25.42 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 70.030000000000001 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 1.465 ' SG ' ' CA ' ' A' ' 28' ' ' DTY . 0.0 OUTLIER -64.72 -67.51 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.549999999999997 110.868 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.09 -26.13 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 72.400000000000006 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.67 -35.58 38.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 73.129999999999995 112.477 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.41 -51.3 45.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 74.209999999999994 111.068 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.46 ' SG ' ' CA ' ' A' ' 25' ' ' ALA . 70.2 m -53.4 -49.54 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.310000000000002 110.857 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -39.05 65.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 71.450000000000003 112.457 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -56.63 -44.34 81.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 71.230000000000004 111.164 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.89 -45.02 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 74.030000000000001 111.162 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.8 m -55.67 -40.19 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 73.120000000000005 110.915 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.38 -40.19 93.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 73.349999999999994 110.913 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.69 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.129999999999995 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -100.48 -18.11 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 75.120000000000005 110.885 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.32 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 63.020000000000003 112.503 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.33 33.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 54.310000000000002 112.478 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.79 -48.87 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 65.129999999999995 111.094 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.28 55.39 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 75.430000000000007 112.481 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.453 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 95.5 m -49.89 -49.47 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 70.329999999999998 111.159 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.97 -30.08 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -73.41 -41.93 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 75.129999999999995 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.47 76.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.219999999999999 111.115 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 1.46 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . . . -69.62 83.89 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.128 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.019999999999996 111.106 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.22 104.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 70.439999999999998 110.817 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . 1.465 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -80.14 -56.91 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 110.905 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.219999999999999 110.888 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.481 -0.248 . . . . 64.049999999999997 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -62.97 -58.83 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.779 0.323 . . . . 75.540000000000006 110.932 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.28 -25.2 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.21 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.549999999999997 111.081 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -44.72 76.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 74.530000000000001 110.889 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.79 -26.28 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 75.549999999999997 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.53 42.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 74.319999999999993 112.493 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.67 -13.62 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 73.150000000000006 111.06 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 t -86.39 5.76 33.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 74.230000000000004 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.39 -120.71 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 44.439999999999998 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -57.59 -26.55 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 74.439999999999998 111.114 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.97 -39.8 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 72.219999999999999 111.178 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.463 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 33.2 t -56.92 -50.97 70.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 75.299999999999997 110.864 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.97 -47.94 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.230000000000004 110.903 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.56 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 64.530000000000001 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -98.47 22.09 10.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 61.439999999999998 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.73 127.35 6.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 75.439999999999998 112.481 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.55 55.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.772 -0.728 . . . . 71.129999999999995 112.445 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 m -62.8 -24.4 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 72.209999999999994 111.08 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.09 -8.61 87.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 72.109999999999999 112.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.463 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 98.9 m -49.6 -60.83 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 71.109999999999999 111.142 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.46 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.549999999999997 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -73.6 -61.46 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.69 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 53.109999999999999 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.26 -29.88 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 111.109 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -75.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.109999999999999 111.134 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 p 178.05 172.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.319999999999993 110.908 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -81.08 -44.37 18.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 71.209999999999994 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.540000000000006 110.893 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.44 -0.264 . . . . 64.099999999999994 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -55.9 -45.95 78.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 73.319999999999993 110.966 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.49 -28.47 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 62.450000000000003 111.123 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.64 -36.68 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 62.109999999999999 111.065 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -46.45 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.420000000000002 110.849 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.31 -28.55 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.129999999999995 111.113 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.34 -56.01 3.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 71.109999999999999 112.53 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -11.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 74.219999999999999 111.132 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.409999999999997 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.26 130.23 1.65 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 71.549999999999997 112.477 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 m -61.89 -15.95 46.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 72.019999999999996 111.11 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.17 -26.28 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 72.209999999999994 111.134 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.439 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -54.31 -54.16 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.140000000000001 110.918 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.01 -41.97 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 71.200000000000003 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.23 48.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 63.229999999999997 111.123 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -93.9 -18.2 22.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.833 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.32 -44.68 2.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 55.409999999999997 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.87 -33.74 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 65.219999999999999 112.519 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.31 -24.02 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 72.420000000000002 111.153 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.85 -16.69 54.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 62.130000000000003 112.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.439 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 90.9 m -50.42 -50.82 50.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 64.010000000000005 111.134 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.7 -26.53 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 64.420000000000002 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -78.53 -62.5 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.6 -60.32 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 54.530000000000001 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.52 67.36 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 60.43 111.097 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -62.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 65.209999999999994 111.102 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.12 91.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.409999999999997 110.839 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -81.41 -50.44 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 73.150000000000006 110.843 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.540000000000006 110.911 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.505 -0.238 . . . . 73.200000000000003 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -74.43 -54.4 7.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 75.510000000000005 110.906 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.34 -25.65 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.230000000000004 111.092 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.85 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 74.030000000000001 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -64.94 -54.35 32.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 71.420000000000002 110.872 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -60.0 -26.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 111.133 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.07 -61.21 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 74.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.31 71.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 60.240000000000002 111.14 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.469 ' SG ' ' CA ' ' A' ' 25' ' ' ALA . 1.7 m -52.26 -57.04 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 74.120000000000005 110.908 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.45 135.09 2.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 73.209999999999994 112.445 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -62.56 -14.88 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 71.400000000000006 111.179 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -69.29 -22.68 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 71.140000000000001 111.165 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.468 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 4.6 t -55.01 -54.95 36.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 62.229999999999997 110.875 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.83 -27.7 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 75.519999999999996 110.904 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -24.08 52.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 111.086 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 m -95.1 22.11 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.851 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.63 19.52 54.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 74.109999999999999 112.484 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.73 -24.56 29.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 52.409999999999997 112.478 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.76 -25.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 74.109999999999999 111.153 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.97 -9.4 62.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 70.230000000000004 112.455 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.468 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 90.4 m -50.38 -45.32 55.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 72.040000000000006 111.084 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.04 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -78.94 -63.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.430000000000007 110.875 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.55 -60.86 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 111.089 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 1.469 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . . . -83.64 51.64 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 70.230000000000004 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.57 -68.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.219999999999999 111.129 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -52.73 -49.14 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 110.827 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -39.04 51.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.310000000000002 110.912 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 110.914 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.525 -0.23 . . . . 71.349999999999994 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.71 -60.28 2.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.808 0.337 . . . . 73.420000000000002 110.91 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -62.7 -24.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 73.209999999999994 111.09 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.95 -27.54 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 55.240000000000002 111.112 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.84 -51.74 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 110.856 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.95 -30.56 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 73.109999999999999 111.196 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.62 -31.0 46.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 64.140000000000001 112.451 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.13 -22.19 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 64.530000000000001 111.122 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 65.439999999999998 110.859 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.35 123.74 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 71.310000000000002 112.463 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 p -63.32 87.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 72.010000000000005 111.16 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.62 -54.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 63.399999999999999 111.138 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.445 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 8.0 p -54.16 -31.14 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.878 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.86 -60.27 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 -30.79 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 111.089 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -101.08 19.28 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 63.219999999999999 110.89 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.8 119.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 72.230000000000004 112.491 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.29 114.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 50.039999999999999 112.465 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.95 -16.48 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 75.030000000000001 111.113 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.46 34.39 4.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 71.239999999999995 112.491 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.445 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 53.2 m -53.95 -25.22 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 64.420000000000002 111.155 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.08 -16.54 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 71.239999999999995 110.905 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -72.06 -21.45 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.430000000000007 110.833 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -53.53 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 70.519999999999996 111.06 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 62.350000000000001 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.52 -71.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 65.299999999999997 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t 178.03 111.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 73.010000000000005 110.846 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.05 -42.62 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 74.129999999999995 110.893 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.109999999999999 110.953 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 71.230000000000004 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -64.99 -27.82 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 73.439999999999998 110.953 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.2 -27.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 72.129999999999995 111.114 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.61 -41.21 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 71.329999999999998 111.138 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 1.414 ' SG ' ' CA ' ' A' ' 28' ' ' DTY . 0.8 OUTLIER -67.33 -45.18 77.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.239999999999995 110.887 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p -59.14 -26.34 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 111.092 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.28 -49.74 5.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 74.329999999999998 112.514 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 72.219999999999999 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.475 ' SG ' ' CA ' ' A' ' 25' ' ' ALA . 1.2 m -51.87 -68.67 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.872 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.87 122.67 1.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 70.219999999999999 112.51 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -60.97 -17.6 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 73.209999999999994 111.106 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.47 -13.76 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.25 111.125 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.436 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 1.3 m -55.15 -57.81 10.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 65.120000000000005 110.869 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -44.68 80.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.899 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -24.9 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 111.094 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -94.22 -18.14 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.100000000000001 110.823 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.68 -37.74 3.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 74.120000000000005 112.476 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.28 -19.28 0.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 75.439999999999998 112.514 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.84 -25.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 74.340000000000003 111.127 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.69 -18.11 31.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 71.219999999999999 112.464 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.436 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 99.5 m -49.66 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 72.439999999999998 111.14 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.81 -23.78 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 72.530000000000001 110.91 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -73.35 -60.32 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 74.230000000000004 110.862 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.65 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 64.420000000000002 111.053 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 1.475 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . . . -70.65 81.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 51.32 111.107 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -71.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 111.117 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.13 80.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.25 110.878 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . 1.414 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.5 -57.95 3.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 72.340000000000003 110.886 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 75.540000000000006 110.939 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.551 -0.219 . . . . 62.219999999999999 112.551 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -61.13 -33.05 72.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 74.439999999999998 110.942 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -61.35 -24.61 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.530000000000001 111.141 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.48 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 71.310000000000002 111.142 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.77 -43.57 79.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 65.319999999999993 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.8 m -61.1 -34.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.25 111.127 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.58 -50.55 4.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 75.340000000000003 112.511 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -10.05 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 65.340000000000003 111.088 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 72.409999999999997 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.72 102.5 0.16 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 51.039999999999999 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -12.38 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 73.030000000000001 111.17 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 t -68.8 -56.78 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.349999999999994 111.113 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.45 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 11.0 p -56.36 -24.4 44.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 75.519999999999996 110.851 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.55 -22.04 65.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.420000000000002 110.922 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.17 36.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 111.099 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 m -93.28 22.06 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 63.32 110.873 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.55 -80.26 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 73.409999999999997 112.494 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.51 -35.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 63.130000000000003 112.495 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.69 -22.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 64.129999999999995 111.172 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.98 -36.38 28.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 73.439999999999998 112.459 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.45 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 67.5 m -51.63 -26.32 8.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 72.25 111.151 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.01 -24.37 53.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.140000000000001 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -73.09 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -19.46 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 63.43 111.098 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -10.7 59.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 73.140000000000001 111.095 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.44 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 111.12 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.6 m -55.29 -70.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 73.439999999999998 110.844 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -76.78 -24.03 52.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 61.240000000000002 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.549999999999997 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.521 -0.232 . . . . 75.420000000000002 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -60.82 -25.85 66.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 72.310000000000002 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -62.72 -30.22 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.430000000000007 111.126 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.24 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 71.319999999999993 111.071 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.4 t -67.74 -47.83 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.450000000000003 110.895 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 m -58.84 -32.54 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 111.105 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.38 -50.36 7.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 75.019999999999996 112.497 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.95 -11.04 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 73.219999999999999 111.08 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -18.56 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.049999999999997 110.843 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 68.59 2.17 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 74.540000000000006 112.453 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 t -179.0 143.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 74.409999999999997 111.139 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 t 67.05 13.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.040000000000006 111.128 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.439 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 7.5 t -57.27 -24.95 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.510000000000005 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -64.04 -25.29 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.019999999999996 110.912 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.03 44.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 65.510000000000005 111.138 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 t -94.14 -18.1 22.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.430000000000007 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 18.77 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 73.230000000000004 112.492 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.71 -55.84 4.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 74.299999999999997 112.484 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.7 -17.69 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 73.310000000000002 111.151 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.49 33.04 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 73.200000000000003 112.531 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.439 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 99.8 m -50.0 -61.56 2.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 64.319999999999993 111.15 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.15 -17.57 58.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 74.109999999999999 110.843 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.01 -28.63 62.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 71.209999999999994 110.922 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -21.92 61.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.120000000000005 111.092 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.77 -19.76 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 71.439999999999998 111.051 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.84 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 41.119999999999997 111.099 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p -54.62 -63.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.450000000000003 110.822 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -79.54 -35.05 40.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 62.25 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 72.420000000000002 110.915 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.446 -0.262 . . . . 64.340000000000003 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -53.65 -32.52 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.343 . . . . 74.340000000000003 110.931 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.41 -46.05 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.409999999999997 111.135 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.78 -18.33 54.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 111.139 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -64.67 -24.99 67.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 65.450000000000003 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -58.84 -26.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 72.25 111.128 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.86 -60.3 4.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 71.109999999999999 112.524 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.22 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 75.230000000000004 111.102 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.82 -22.05 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.841 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.57 -48.3 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 34.520000000000003 112.465 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -59.94 -54.88 40.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 74.340000000000003 111.124 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.27 -26.6 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 74.510000000000005 111.146 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.395 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 42.6 t -55.39 -39.97 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.030000000000001 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.89 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 75.230000000000004 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -25.26 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 111.112 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -100.12 22.11 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 51.539999999999999 110.896 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.01 106.62 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 74.129999999999995 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.84 64.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 73.420000000000002 112.5 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.7 -23.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 65.409999999999997 111.092 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.79 41.33 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 64.109999999999999 112.514 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.395 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 71.1 p -48.23 -63.79 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 73.439999999999998 111.19 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -58.71 -22.38 57.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 71.340000000000003 110.903 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -73.31 -29.27 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.47 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.129999999999995 111.089 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.53 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 65.5 111.094 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.57 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 60.450000000000003 111.099 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t -53.54 -60.49 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 71.409999999999997 110.87 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.0 -42.93 36.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 72.230000000000004 110.903 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.120000000000005 110.952 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 61.310000000000002 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -75.25 -27.57 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 73.329999999999998 110.947 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 m -65.35 -27.58 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 111.136 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.44 -42.77 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 51.009999999999998 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.45 -45.93 74.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 62.229999999999997 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.33 -26.77 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 111.082 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.97 -41.43 8.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 61.100000000000001 112.51 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.4 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 74.230000000000004 111.127 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -18.48 61.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.319999999999993 110.865 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.9 -46.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 73.519999999999996 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 p -56.56 -44.3 80.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 73.420000000000002 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -72.35 -39.47 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.150000000000006 111.079 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.418 ' SG ' ' CA ' ' A' ' 21' ' ' THR . 16.7 t -58.6 -52.24 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.140000000000001 110.866 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.23 95.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.905 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.43 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 73.230000000000004 111.139 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.9 m -95.53 22.11 7.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.140000000000001 110.865 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.16 -56.67 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 71.109999999999999 112.504 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.31 21.4 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 63.43 112.512 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.55 -48.34 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 75.219999999999999 111.116 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.76 59.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 72.230000000000004 112.506 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.418 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 71.8 p -48.09 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 71.439999999999998 111.132 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -59.32 -22.87 61.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.510000000000005 110.877 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.37 -42.47 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 75.150000000000006 110.853 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 74.209999999999994 111.112 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.31 59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 61.200000000000003 111.086 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -72.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 61.439999999999998 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.12 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.857 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -77.49 -42.22 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.340000000000003 110.889 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 72.409999999999997 110.925 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.511 -0.236 . . . . 51.42 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -74.99 -27.49 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 72.12 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.91 -26.91 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 75.44 111.089 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.79 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.24 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.421 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 52.4 t -67.44 -50.36 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.41 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.15 -28.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 70.33 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.02 -33.68 23.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.487 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.1 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 75.24 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.9 m -54.88 -26.89 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 73.02 110.89 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.25 -46.24 57.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 71.34 112.445 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -59.84 -37.76 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 55.12 111.129 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.9 -55.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.35 111.159 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.565 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.5 m -55.45 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.15 110.921 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.56 -41.25 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 63.11 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.27 65.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.109 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -100.69 22.15 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.847 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.49 -59.01 4.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 71.4 112.48 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.36 42.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 54.05 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.81 -52.67 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 74.33 111.111 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.84 65.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 23.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.565 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.2 m -50.44 -45.94 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 72.11 111.128 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -61.77 -30.94 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.35 -49.05 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -59.66 -25.16 64.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 75.22 111.08 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.23 -25.18 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.55 111.1 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.22 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 70.14 111.138 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.849 -179.799 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.421 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 5.1 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.37 . . . . 73.21 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 55.13 110.932 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.549 -0.221 . . . . 65.43 112.549 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 -56.07 -25.92 47.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 72.45 110.903 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.27 -25.4 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 72.42 111.169 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.5 -44.54 50.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 63.54 111.138 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.2 -48.68 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 55.43 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -59.21 -26.72 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.31 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.77 -60.54 8.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 60.52 112.508 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HA ' HG23 ' A' ' 12' ' ' VAL . . . -69.54 -24.71 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 62.13 111.101 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.52 -25.12 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.44 110.857 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.24 -52.0 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 64.02 112.493 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -56.53 -55.89 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 73.12 111.142 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 8' ' ' ALA . 92.3 t -73.75 -26.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.33 111.111 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.56 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 11.7 t -55.43 -46.29 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.854 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.01 -37.7 88.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.881 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.37 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 72.33 111.073 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -100.63 -18.17 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 55.21 110.81 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.22 128.29 2.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 61.33 112.448 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.43 -19.27 64.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 73.11 112.487 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.72 -25.59 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 65.32 111.141 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 20.41 20.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 72.44 112.452 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.56 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 92.7 m -50.27 -47.93 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 72.45 111.183 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.86 -29.45 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.907 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.36 -28.24 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.34 110.875 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.04 81.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 62.2 111.133 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.9 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.02 111.126 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.97 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 61.4 111.118 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 62.12 110.876 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 t80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.889 0.376 . . . . 72.31 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.884 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.544 -0.222 . . . . 75.53 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -77.51 -34.63 54.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 73.23 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.55 -25.11 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 44.05 111.146 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.37 -32.05 48.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.33 111.123 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.538 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -65.33 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.834 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.56 -26.29 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.151 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.66 -20.82 72.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.35 112.448 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -59.64 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.368 . . . . 73.22 111.101 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.3 p -70.42 -24.99 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.85 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.14 -54.47 37.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 44.13 112.477 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.1 m -59.85 -34.43 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 53.12 111.152 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.31 -27.29 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 65.32 111.167 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.545 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.6 t -55.6 -45.68 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 50.24 110.903 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.93 -48.62 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.29 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 33.02 111.103 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -95.91 -18.14 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 53.24 110.879 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.61 -88.75 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 34.4 112.51 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.52 -19.51 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 35.41 112.499 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.79 -45.54 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.382 . . . . 52.13 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.87 35.73 4.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 41.15 112.487 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.545 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 89.7 m -50.49 -45.81 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.795 0.331 . . . . 72.42 111.148 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.86 -30.76 71.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 53.21 110.86 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.36 -49.59 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.864 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -59.63 -53.65 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.23 111.114 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.77 61.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 63.12 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.59 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.144 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 61.15 110.861 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.538 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 8.0 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.87 0.367 . . . . 63.54 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 53.43 110.883 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 21.03 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -57.06 -59.83 4.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.771 0.319 . . . . 73.45 110.944 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.14 -25.84 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 71.22 111.139 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.82 -25.26 56.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.14 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.05 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.75 -35.81 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 63.3 111.157 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 -60.24 7.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 70.43 112.476 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 23.35 111.104 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.02 -38.44 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 71.12 110.884 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.33 -31.56 54.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 35.34 112.482 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 m -57.55 -36.74 72.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 65.11 111.157 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -72.34 -24.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 70.31 111.107 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.546 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -55.33 -44.1 75.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -41.88 96.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.39 58.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 65.41 111.143 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -98.08 -18.14 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 73.11 110.865 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.08 -75.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 74.23 112.484 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.58 -19.43 2.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 73.42 112.517 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.8 -33.1 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 70.14 111.094 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.01 46.77 1.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 43.43 112.496 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.546 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 93.3 m -50.31 -49.11 54.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 73.25 111.156 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.85 -28.33 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 71.31 110.863 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -73.41 -32.5 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.34 93.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 63.53 111.088 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.36 59.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 51.45 111.077 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.56 -62.23 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.111 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 63.35 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.915 0.388 . . . . 75.22 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.507 -0.237 . . . . 73.11 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 72.11 110.912 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.1 m -65.53 -25.98 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.139 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.31 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 50.24 111.143 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.573 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 2.0 t -64.84 -52.38 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.17 -26.51 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.79 -21.25 43.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 54.13 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -59.65 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.354 . . . . 71.33 111.107 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.89 -25.71 59.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 63.33 110.875 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 -35.45 91.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 62.42 112.45 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 m -59.93 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 70.31 111.141 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 t -72.43 -29.28 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.2 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.7 t -55.36 -62.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 73.04 110.882 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.15 -34.95 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 71.23 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 22.1 12.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 61.22 110.815 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.02 -93.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 62.43 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.61 -19.31 3.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 53.41 112.499 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 m -62.82 -25.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 72.45 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.21 22.96 14.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 31.24 112.526 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 83.1 m -50.46 -40.58 51.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.778 0.323 . . . . 75.22 111.151 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.46 -34.89 76.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 65.1 110.928 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -73.41 -56.62 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.851 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.104 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.12 59.92 1.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 61.2 111.142 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -72.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.34 111.158 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 73.01 110.867 -179.852 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 10.3 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.864 0.364 . . . . 64.43 110.852 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 73.41 110.961 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.463 -0.255 . . . . 64.1 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.545 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.6 t90 -68.64 -32.89 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 75.42 110.899 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.46 -32.32 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 75.32 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.29 -37.5 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 54.25 111.135 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.81 -40.13 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.855 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 2' ' ' TRP . 68.6 t -62.04 -60.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 62.32 111.117 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.59 -21.63 65.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 41.22 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.29 -23.22 65.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 62.35 111.125 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 m -51.83 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.913 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.86 126.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 71.12 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -60.1 -19.59 54.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.34 . . . . 61.12 111.136 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.99 -17.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.3 111.117 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 15.7 t -55.12 -64.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 65.2 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 14' ' ' LEU . 3.9 tt -65.06 -29.65 70.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 74.3 110.932 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -23.3 48.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.01 111.065 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -94.91 22.04 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 64.4 110.881 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.32 -49.27 3.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 61.42 112.468 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.55 -19.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 42.22 112.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.77 -28.0 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 73.34 111.127 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.51 -11.08 69.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 65.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 95.3 m -50.1 -51.09 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.312 . . . . 72.2 111.136 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -61.03 -27.14 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 64.1 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -77.93 -61.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.5 110.85 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -62.8 -60.06 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 50.12 111.103 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.23 60.04 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.058 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.57 -70.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 70.32 111.105 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.866 -179.783 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 74.23 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.905 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.245 . . . . 52.23 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -66.86 -26.0 66.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 75.13 110.942 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.37 -29.75 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.1 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.92 -31.96 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 62.34 111.092 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 1.9 m -66.3 -28.89 69.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 62.25 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.84 -26.41 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 54.44 111.134 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.42 -49.7 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 74.41 112.48 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.31 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 61.23 111.109 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.588 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.3 m -61.27 -40.39 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 61.14 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.19 -36.77 57.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 52.12 112.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 m -57.69 -55.33 36.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 74.33 111.145 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -72.49 -24.96 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.139 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.551 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 2.0 t -55.38 -28.57 54.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 62.13 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.94 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -29.19 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 75.45 111.12 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -96.68 22.08 8.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.842 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.76 122.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.463 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.76 -18.53 68.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 60.22 112.523 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.71 -27.58 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 64.2 111.167 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.5 40.8 2.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 62.35 112.513 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.551 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 94.4 m -50.1 -48.95 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 73.54 111.152 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.83 -29.04 69.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.4 -38.43 65.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . . . -59.56 -29.55 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.55 111.149 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 1.588 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -71.93 78.78 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 61.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.74 -67.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 61.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 63.54 110.837 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.472 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 53.2 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.895 0.379 . . . . 75.25 110.925 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 72.13 110.931 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 60.35 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -64.4 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 74.32 110.911 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.32 -26.48 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 75.22 111.139 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 -38.87 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 63.05 111.11 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.583 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 1.2 m -67.7 -45.45 75.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.837 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.83 -33.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 65.12 111.131 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.53 -31.87 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 73.23 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.69 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 45.34 111.032 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.595 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -51.99 -40.14 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 62.05 110.898 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.29 66.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 63.51 112.498 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -56.58 -35.22 67.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 50.54 111.145 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.87 -38.2 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 73.44 111.152 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.541 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 4.5 m -56.09 -27.8 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 62.54 110.876 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -38.6 91.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.27 -30.41 62.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.083 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -100.49 -18.11 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 62.53 110.865 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.02 -19.17 27.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 61.21 112.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.01 23.7 3.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 65.43 112.434 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.31 -43.06 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 74.11 111.13 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.2 54.21 0.76 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 71.53 112.473 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.541 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 97.1 m -49.75 -51.38 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 50.31 111.136 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.73 -27.97 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 71.55 110.862 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.93 -42.44 60.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 62.24 110.866 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.32 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 41.11 111.107 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 1.595 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -76.0 66.29 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.064 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.68 -76.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.51 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 72.42 110.878 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.583 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 38.4 p90 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.931 0.396 . . . . 74.21 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.41 110.917 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.517 -0.233 . . . . 13.1 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.726 ' O ' HG23 ' A' ' 6' ' ' VAL . 62.5 m95 -66.63 -48.39 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.339 . . . . 63.32 110.936 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.52 -30.12 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.12 111.117 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.21 -41.25 61.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 71.11 111.132 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 1.5 m -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.858 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 2' ' ' TRP . 80.7 t -62.05 -38.33 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.24 111.119 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.73 -40.19 18.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 64.45 112.467 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -20.46 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 34.12 111.096 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.78 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.25 117.1 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.76 . . . . 63.43 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -60.38 -18.4 50.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 61.44 111.11 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.71 -19.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 70.3 111.164 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.525 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.5 t -55.21 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 63.04 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.943 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -35.4 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 55.42 111.114 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 m -100.73 22.04 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 70.3 110.895 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.34 127.17 5.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 71.12 112.499 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.21 -20.19 42.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 53.45 112.487 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.68 -34.15 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 74.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.81 1.2 89.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 34.13 112.487 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.525 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 51.8 m -53.02 -27.77 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 65.02 111.174 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.69 -27.05 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.98 -61.77 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 45.23 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -62.81 -60.01 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.079 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.06 60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.03 111.122 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -71.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 63.11 111.114 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 71.03 110.896 -179.776 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 14.2 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.889 0.376 . . . . 63.44 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 63.25 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.48 -0.248 . . . . 61.12 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -73.0 -34.25 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 70.33 110.895 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.33 -24.87 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 75.03 111.147 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.32 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.111 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.73 -24.72 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 62.51 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -58.67 -60.74 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.159 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.15 -28.28 53.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 65.5 112.467 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -12.59 61.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 64.21 111.119 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.65 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.873 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.02 128.62 1.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 62.23 112.486 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -61.22 -17.17 51.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 74.11 111.121 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.34 -16.99 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 64.41 111.151 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.563 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m -55.12 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.52 110.908 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.68 -45.29 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 62.5 110.957 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -25.23 58.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.081 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -94.44 -18.19 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 62.51 110.875 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.28 -36.27 4.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 52.24 112.493 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.93 -19.06 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 73.55 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.81 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 60.02 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.44 -17.91 29.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 62.44 112.495 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.563 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.2 m -49.71 -58.15 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 75.12 111.16 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.75 -24.74 67.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.2 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -73.24 -61.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 71.35 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -26.15 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 74.41 111.086 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.43 -20.72 57.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 74.52 111.16 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 62.34 111.094 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.847 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.936 0.398 . . . . 71.32 110.883 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 65.04 110.899 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 4.51 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -74.1 -27.29 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 74.4 110.923 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.44 -25.15 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 63.24 111.127 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.83 -25.42 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 65.43 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -67.51 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.55 110.868 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.09 -26.13 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.67 -35.58 38.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 73.13 112.477 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.41 -51.3 45.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 60.52 111.068 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.575 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 70.2 m -53.4 -49.54 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.857 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -39.05 65.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 71.45 112.457 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -56.63 -44.34 81.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 71.23 111.164 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.89 -45.02 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 63.21 111.162 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.556 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.8 m -55.67 -40.19 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 73.12 110.915 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.38 -40.19 93.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 64.21 110.913 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.69 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -100.48 -18.11 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 71.35 110.885 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.32 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 63.02 112.503 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.33 33.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 54.31 112.478 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.79 -48.87 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 54.42 111.094 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.28 55.39 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 63.13 112.481 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.556 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 95.5 m -49.89 -49.47 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 70.33 111.159 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.97 -30.08 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -73.41 -41.93 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 62.31 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.47 76.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 70.15 111.115 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 1.575 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -69.62 83.89 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 71.42 111.128 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.106 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 70.44 110.817 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.873 0.368 . . . . 74.33 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.888 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.481 -0.248 . . . . 64.05 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -62.97 -58.83 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.779 0.323 . . . . 75.54 110.932 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.28 -25.2 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.32 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.21 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.081 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.547 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -67.73 -44.72 76.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 60.43 110.889 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.79 -26.28 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 63.22 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.53 42.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 74.32 112.493 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.67 -13.62 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 73.15 111.06 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 t -86.39 5.76 33.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.39 -120.71 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 44.44 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -57.59 -26.55 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 74.44 111.114 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.97 -39.8 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.178 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.541 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 33.2 t -56.92 -50.97 70.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.864 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.97 -47.94 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.903 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.56 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 43.54 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -98.47 22.09 10.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 54.42 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.73 127.35 6.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 75.44 112.481 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.55 55.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.772 -0.728 . . . . 62.33 112.445 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 m -62.8 -24.4 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 65.55 111.08 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.09 -8.61 87.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 72.11 112.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.541 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 98.9 m -49.6 -60.83 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 70.32 111.142 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.46 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.24 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -73.6 -61.46 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.69 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 44.13 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.26 -29.88 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 111.109 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -75.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.134 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 70.34 110.908 -179.805 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.547 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 24.4 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.915 0.388 . . . . 71.21 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 72.24 110.893 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.44 -0.264 . . . . 64.1 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -55.9 -45.95 78.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 62.05 110.966 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.49 -28.47 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 62.45 111.123 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.64 -36.68 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 61.34 111.065 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -46.45 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 45.42 110.849 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.31 -28.55 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.32 111.113 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.34 -56.01 3.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 61.43 112.53 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -11.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 74.22 111.132 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.547 ' CA ' ' HB1' ' A' ' 24' ' ' ALA . . . -176.26 130.23 1.65 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 71.55 112.477 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 m -61.89 -15.95 46.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 64.53 111.11 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 24' ' ' ALA . 5.3 p -70.17 -26.28 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 64.11 111.134 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.547 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -54.31 -54.16 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.14 110.918 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.01 -41.97 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 71.2 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.23 48.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 63.23 111.123 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -93.9 -18.2 22.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.833 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.32 -44.68 2.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 52.12 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.87 -33.74 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 65.22 112.519 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.31 -24.02 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 72.42 111.153 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.85 -16.69 54.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 62.13 112.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.547 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.9 m -50.42 -50.82 50.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 43.42 111.134 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.7 -26.53 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -78.53 -62.5 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.547 ' HB1' ' CA ' ' A' ' 10' ' ' GLY . . . -63.6 -60.32 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 54.53 111.107 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.52 67.36 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 55.24 111.097 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -62.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 62.01 111.102 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.839 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.861 0.362 . . . . 73.15 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.911 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.505 -0.238 . . . . 73.2 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -74.43 -54.4 7.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 75.51 110.906 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.34 -25.65 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.23 111.092 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.85 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 61.12 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -64.94 -54.35 32.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 71.42 110.872 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -60.0 -26.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 73.01 111.133 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.07 -61.21 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 74.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.31 71.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 54.33 111.14 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.6 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.7 m -52.26 -57.04 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.908 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.45 135.09 2.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 73.21 112.445 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -62.56 -14.88 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 71.4 111.179 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -69.29 -22.68 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 71.14 111.165 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 4.6 t -55.01 -54.95 36.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 62.23 110.875 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.83 -27.7 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 53.33 110.904 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -24.08 52.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.086 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 m -95.1 22.11 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.851 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.63 19.52 54.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 74.11 112.484 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.73 -24.56 29.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 52.41 112.478 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.76 -25.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 31.22 111.153 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.97 -9.4 62.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 64.52 112.455 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.4 m -50.38 -45.32 55.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 72.04 111.084 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.04 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -78.94 -63.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.875 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -63.55 -60.86 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.089 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 1.6 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -83.64 51.64 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 55.5 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.57 -68.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.22 111.129 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.827 -179.775 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.868 0.366 . . . . 74.31 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 54.51 110.914 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.525 -0.23 . . . . 41.15 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.71 -60.28 2.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.808 0.337 . . . . 73.42 110.91 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -62.7 -24.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 33.14 111.09 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.95 -27.54 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 50.11 111.112 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.84 -51.74 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.856 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.95 -30.56 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.196 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.62 -31.0 46.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 64.14 112.451 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.13 -22.19 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 64.44 111.122 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.859 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.35 123.74 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 71.31 112.463 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 p -63.32 87.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 72.01 111.16 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.62 -54.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 63.4 111.138 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.544 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 8.0 p -54.16 -31.14 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 62.45 110.878 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.86 -60.27 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 -30.79 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.089 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -101.08 19.28 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 51.03 110.89 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.8 119.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 72.23 112.491 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.29 114.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 50.04 112.465 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.95 -16.48 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 74.55 111.113 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.46 34.39 4.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 71.24 112.491 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.544 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 53.2 m -53.95 -25.22 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 64.42 111.155 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.08 -16.54 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 71.24 110.905 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -72.06 -21.45 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.833 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -53.53 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 70.52 111.06 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 35.33 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.52 -71.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 65.3 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 72.44 110.846 -179.784 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.899 0.381 . . . . 74.13 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.11 110.953 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 71.23 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -64.99 -27.82 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 73.44 110.953 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.2 -27.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 72.13 111.114 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.61 -41.21 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 71.05 111.138 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.525 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -67.33 -45.18 77.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.1 110.887 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p -59.14 -26.34 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.092 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.28 -49.74 5.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 73.31 112.514 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 72.22 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.565 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.2 m -51.87 -68.67 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.872 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.87 122.67 1.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 70.22 112.51 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -60.97 -17.6 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 60.51 111.106 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.47 -13.76 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.1 111.125 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.577 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m -55.15 -57.81 10.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 61.15 110.869 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -44.68 80.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.25 110.899 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -24.9 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.35 111.094 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -94.22 -18.14 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.1 110.823 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.68 -37.74 3.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 73.41 112.476 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.28 -19.28 0.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 75.44 112.514 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.84 -25.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 61.22 111.127 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.69 -18.11 31.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 61.21 112.464 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.577 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.5 m -49.66 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 72.44 111.14 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.81 -23.78 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 72.53 110.91 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -73.35 -60.32 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 73.25 110.862 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.65 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 64.42 111.053 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 1.565 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -70.65 81.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 51.32 111.107 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -71.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.117 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.25 110.878 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.525 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 3.2 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.894 0.378 . . . . 72.34 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 75.54 110.939 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.551 -0.219 . . . . 62.22 112.551 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -61.13 -33.05 72.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 74.44 110.942 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -61.35 -24.61 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.53 111.141 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.48 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 54.13 111.142 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.77 -43.57 79.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.25 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.8 m -61.1 -34.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 70.42 111.127 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.58 -50.55 4.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 75.34 112.511 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -10.05 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 20.4 111.088 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.72 102.5 0.16 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 34.04 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -12.38 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 70.53 111.17 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 t -68.8 -56.78 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.113 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.571 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 11.0 p -56.36 -24.4 44.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.851 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 14' ' ' LEU . 2.1 tt -67.55 -22.04 65.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.922 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.17 36.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.099 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 m -93.28 22.06 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 63.32 110.873 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.55 -80.26 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 73.41 112.494 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.51 -35.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 63.13 112.495 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.69 -22.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 64.13 111.172 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.98 -36.38 28.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 73.44 112.459 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.571 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 67.5 m -51.63 -26.32 8.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 72.25 111.151 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.01 -24.37 53.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -73.09 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 61.43 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -19.46 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 44.1 111.098 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -10.7 59.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.095 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.44 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 64.44 111.12 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 73.35 110.844 -179.765 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.885 0.374 . . . . 54.33 110.887 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.55 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.521 -0.232 . . . . 75.42 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -60.82 -25.85 66.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 72.31 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -62.72 -30.22 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.43 111.126 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.24 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.071 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.4 t -67.74 -47.83 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.45 110.895 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 m -58.84 -32.54 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 70.55 111.105 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.38 -50.36 7.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 62.35 112.497 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.572 ' O ' HG22 ' A' ' 11' ' ' THR . . . -69.95 -11.04 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 73.22 111.08 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -18.56 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.05 110.843 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 68.59 2.17 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 51.22 112.453 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 8' ' ' ALA . 4.8 t -179.0 143.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 74.34 111.139 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 12' ' ' VAL . 4.2 t 67.05 13.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 42.1 111.128 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.571 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 7.5 t -57.27 -24.95 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -64.04 -25.29 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.912 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.03 44.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 52.13 111.138 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 t -94.14 -18.1 22.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 18.77 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 73.23 112.492 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.71 -55.84 4.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 73.34 112.484 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.7 -17.69 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 61.54 111.151 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.49 33.04 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 73.2 112.531 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.571 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.8 m -50.0 -61.56 2.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 64.32 111.15 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.15 -17.57 58.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 52.32 110.843 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.01 -28.63 62.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.922 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -21.92 61.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 62.03 111.092 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.77 -19.76 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.04 111.051 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.84 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 41.12 111.099 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.45 110.822 -179.754 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.879 0.371 . . . . 45.32 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 72.42 110.915 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.446 -0.262 . . . . 64.34 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -53.65 -32.52 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.343 . . . . 64.41 110.931 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 6' ' ' VAL . 46.4 t -64.41 -46.05 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.41 111.135 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.78 -18.33 54.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 72.42 111.139 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.535 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 2.5 t -64.67 -24.99 67.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 65.45 110.87 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 3' ' ' VAL . 10.1 p -58.84 -26.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.86 -60.3 4.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.524 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.22 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 42.42 111.102 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -58.82 -22.05 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.841 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.57 -48.3 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 32.22 112.465 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -59.94 -54.88 40.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 74.34 111.124 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.27 -26.6 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 72.2 111.146 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.619 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 42.6 t -55.39 -39.97 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.03 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.89 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 75.23 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -25.26 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 54.34 111.112 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -100.12 22.11 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 50.52 110.896 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.01 106.62 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 74.13 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 21' ' ' THR . . . -70.22 -9.84 64.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 73.42 112.5 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.7 -23.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 65.41 111.092 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.79 41.33 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 64.11 112.514 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.619 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 71.1 p -48.23 -63.79 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 73.44 111.19 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -58.71 -22.38 57.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.903 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -73.31 -29.27 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 9' ' ' CYS . . . -62.74 -34.47 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.13 111.089 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.53 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 65.5 111.094 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.57 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 60.45 111.099 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 71.31 110.87 -179.787 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.535 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 2.0 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.891 0.377 . . . . 72.23 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.952 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 61.31 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -75.25 -27.57 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 73.33 110.947 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 m -65.35 -27.58 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.44 111.136 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.44 -42.77 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 51.01 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.45 -45.93 74.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 22.23 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.33 -26.77 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 64.54 111.082 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.97 -41.43 8.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 61.1 112.51 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.4 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 51.01 111.127 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -18.48 61.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.865 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.9 -46.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 73.52 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 p -56.56 -44.3 80.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 73.42 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -72.35 -39.47 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.15 111.079 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.612 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 16.7 t -58.6 -52.24 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.866 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.23 95.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.905 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.43 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.01 111.139 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.9 m -95.53 22.11 7.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.865 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.16 -56.67 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 62.43 112.504 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.31 21.4 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 51.32 112.512 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.55 -48.34 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 75.22 111.116 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.76 59.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.506 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.612 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 71.8 p -48.09 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 71.44 111.132 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -59.32 -22.87 61.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.877 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.37 -42.47 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.853 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.112 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.31 59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 61.12 111.086 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -72.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 31.24 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.857 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.871 0.367 . . . . 74.34 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.925 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.511 -0.236 . . . . 51.42 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -74.99 -27.49 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 72.12 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.91 -26.91 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 75.44 111.089 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.79 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.24 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.44 -50.36 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.41 110.897 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.15 -28.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 70.33 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.02 -33.68 23.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.487 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.1 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 75.24 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.9 m -54.88 -26.89 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 73.02 110.89 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.25 -46.24 57.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 71.34 112.445 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -59.84 -37.76 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 55.12 111.129 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.9 -55.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.35 111.159 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.565 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.5 m -55.45 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.15 110.921 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.56 -41.25 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 63.11 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.27 65.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.109 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -100.69 22.15 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.847 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.49 -59.01 4.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 71.4 112.48 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.36 42.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 54.05 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.81 -52.67 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 74.33 111.111 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.84 65.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 23.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.565 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.2 m -50.44 -45.94 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 72.11 111.128 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -61.77 -30.94 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.35 -49.05 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -59.66 -25.16 64.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 75.22 111.08 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.23 -25.18 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.55 111.1 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.22 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 70.14 111.138 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.4 p -52.93 -52.91 56.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.849 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -81.46 -45.28 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 55.13 110.932 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.549 -0.221 . . . . 65.43 112.549 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 -56.07 -25.92 47.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 72.45 110.903 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.27 -25.4 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 72.42 111.169 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.5 -44.54 50.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 63.54 111.138 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.2 -48.68 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 55.43 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -59.21 -26.72 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.31 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.77 -60.54 8.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 60.52 112.508 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HA ' HG23 ' A' ' 12' ' ' VAL . . . -69.54 -24.71 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 62.13 111.101 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.52 -25.12 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.44 110.857 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.24 -52.0 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 64.02 112.493 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -56.53 -55.89 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 73.12 111.142 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 8' ' ' ALA . 92.3 t -73.75 -26.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.33 111.111 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.56 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 11.7 t -55.43 -46.29 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.854 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.01 -37.7 88.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.881 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.37 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 72.33 111.073 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -100.63 -18.17 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 55.21 110.81 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.22 128.29 2.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 61.33 112.448 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.43 -19.27 64.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 73.11 112.487 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.72 -25.59 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 65.32 111.141 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 20.41 20.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 72.44 112.452 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.56 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 92.7 m -50.27 -47.93 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 72.45 111.183 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.86 -29.45 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.907 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.36 -28.24 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.34 110.875 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.04 81.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 62.2 111.133 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.9 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.02 111.126 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.97 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 61.4 111.118 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t -53.33 -65.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 62.12 110.876 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -77.13 -26.28 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 72.31 110.883 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.884 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.544 -0.222 . . . . 75.53 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -77.51 -34.63 54.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 73.23 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.55 -25.11 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 44.05 111.146 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.37 -32.05 48.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.33 111.123 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.834 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.56 -26.29 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.151 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.66 -20.82 72.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.35 112.448 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -59.64 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.368 . . . . 73.22 111.101 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.3 p -70.42 -24.99 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.85 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.14 -54.47 37.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 44.13 112.477 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.1 m -59.85 -34.43 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 53.12 111.152 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.31 -27.29 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 65.32 111.167 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.545 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.6 t -55.6 -45.68 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 50.24 110.903 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.93 -48.62 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.29 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 33.02 111.103 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -95.91 -18.14 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 53.24 110.879 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.61 -88.75 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 34.4 112.51 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.52 -19.51 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 35.41 112.499 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.79 -45.54 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.382 . . . . 52.13 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.87 35.73 4.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 41.15 112.487 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.545 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 89.7 m -50.49 -45.81 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.795 0.331 . . . . 72.42 111.148 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.86 -30.76 71.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 53.21 110.86 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.36 -49.59 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.864 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -59.63 -53.65 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.23 111.114 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.77 61.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 63.12 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.59 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.144 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.09 125.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 61.15 110.861 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -77.4 -57.22 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 63.54 110.892 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 53.43 110.883 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 21.03 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -57.06 -59.83 4.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.771 0.319 . . . . 73.45 110.944 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.14 -25.84 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 71.22 111.139 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.82 -25.26 56.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.14 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.05 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.75 -35.81 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 63.3 111.157 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 -60.24 7.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 70.43 112.476 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 23.35 111.104 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.02 -38.44 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 71.12 110.884 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.33 -31.56 54.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 35.34 112.482 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 m -57.55 -36.74 72.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 65.11 111.157 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -72.34 -24.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 70.31 111.107 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.546 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -55.33 -44.1 75.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -41.88 96.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.39 58.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 65.41 111.143 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -98.08 -18.14 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 73.11 110.865 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.08 -75.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 74.23 112.484 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.58 -19.43 2.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 73.42 112.517 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.8 -33.1 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 70.14 111.094 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.01 46.77 1.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 43.43 112.496 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.546 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 93.3 m -50.31 -49.11 54.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 73.25 111.156 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.85 -28.33 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 71.31 110.863 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -73.41 -32.5 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.34 93.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 63.53 111.088 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.36 59.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 51.45 111.077 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.56 -62.23 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.111 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.14 105.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 63.35 110.873 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -79.63 -44.06 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 75.22 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.507 -0.237 . . . . 73.11 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 72.11 110.912 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.1 m -65.53 -25.98 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.139 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.31 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 50.24 111.143 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.84 -52.38 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.17 -26.51 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.79 -21.25 43.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 54.13 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -59.65 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.354 . . . . 71.33 111.107 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.89 -25.71 59.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 63.33 110.875 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 -35.45 91.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 62.42 112.45 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 m -59.93 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 70.31 111.141 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 t -72.43 -29.28 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.2 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.7 t -55.36 -62.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 73.04 110.882 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.15 -34.95 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 71.23 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 22.1 12.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 61.22 110.815 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.02 -93.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 62.43 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.61 -19.31 3.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 53.41 112.499 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 m -62.82 -25.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 72.45 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.21 22.96 14.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 31.24 112.526 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 83.1 m -50.46 -40.58 51.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.778 0.323 . . . . 75.22 111.151 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.46 -34.89 76.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 65.1 110.928 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -73.41 -56.62 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.851 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.104 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.12 59.92 1.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 61.2 111.142 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -72.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.34 111.158 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t 178.08 128.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 73.01 110.867 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -77.53 -31.26 53.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 64.43 110.852 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 73.41 110.961 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.463 -0.255 . . . . 64.1 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.545 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.6 t90 -68.64 -32.89 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 75.42 110.899 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.46 -32.32 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 75.32 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.29 -37.5 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 54.25 111.135 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.81 -40.13 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.855 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 2' ' ' TRP . 68.6 t -62.04 -60.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 62.32 111.117 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.59 -21.63 65.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 41.22 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.29 -23.22 65.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 62.35 111.125 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 m -51.83 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.913 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.86 126.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 71.12 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -60.1 -19.59 54.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.34 . . . . 61.12 111.136 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.99 -17.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.3 111.117 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 15.7 t -55.12 -64.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 65.2 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 14' ' ' LEU . 3.9 tt -65.06 -29.65 70.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 74.3 110.932 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -23.3 48.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.01 111.065 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -94.91 22.04 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 64.4 110.881 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.32 -49.27 3.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 61.42 112.468 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.55 -19.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 42.22 112.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.77 -28.0 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 73.34 111.127 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.51 -11.08 69.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 65.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 95.3 m -50.1 -51.09 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.312 . . . . 72.2 111.136 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -61.03 -27.14 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 64.1 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -77.93 -61.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.5 110.85 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -62.8 -60.06 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 50.12 111.103 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.23 60.04 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.058 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.57 -70.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 70.32 111.105 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p 178.09 105.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.866 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -78.72 -44.29 23.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 74.23 110.895 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.905 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.245 . . . . 52.23 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -66.86 -26.0 66.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 75.13 110.942 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.37 -29.75 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.1 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.92 -31.96 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 62.34 111.092 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 m -66.3 -28.89 69.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 62.25 110.849 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.84 -26.41 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 54.44 111.134 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.42 -49.7 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 74.41 112.48 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.31 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 61.23 111.109 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.588 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.3 m -61.27 -40.39 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 61.14 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.19 -36.77 57.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 52.12 112.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 m -57.69 -55.33 36.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 74.33 111.145 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -72.49 -24.96 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.139 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.551 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 2.0 t -55.38 -28.57 54.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 62.13 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.94 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -29.19 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 75.45 111.12 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -96.68 22.08 8.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.842 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.76 122.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.463 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.76 -18.53 68.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 60.22 112.523 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.71 -27.58 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 64.2 111.167 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.5 40.8 2.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 62.35 112.513 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.551 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 94.4 m -50.1 -48.95 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 73.54 111.152 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.83 -29.04 69.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.4 -38.43 65.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . . . -59.56 -29.55 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.55 111.149 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 1.588 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -71.93 78.78 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 61.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.74 -67.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 61.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.12 105.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 63.54 110.837 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -79.27 -27.04 42.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.925 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 72.13 110.931 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 60.35 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -64.4 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 74.32 110.911 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.32 -26.48 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 75.22 111.139 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 -38.87 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 63.05 111.11 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.7 -45.45 75.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.837 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.83 -33.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 65.12 111.131 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.53 -31.87 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 73.23 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.69 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 45.34 111.032 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.595 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -51.99 -40.14 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 62.05 110.898 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.29 66.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 63.51 112.498 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -56.58 -35.22 67.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 50.54 111.145 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.87 -38.2 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 73.44 111.152 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.541 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 4.5 m -56.09 -27.8 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 62.54 110.876 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -38.6 91.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.27 -30.41 62.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.083 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -100.49 -18.11 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 62.53 110.865 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.02 -19.17 27.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 61.21 112.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.01 23.7 3.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 65.43 112.434 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.31 -43.06 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 74.11 111.13 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.2 54.21 0.76 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 71.53 112.473 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.541 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 97.1 m -49.75 -51.38 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 50.31 111.136 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.73 -27.97 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 71.55 110.862 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.93 -42.44 60.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 62.24 110.866 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.32 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 41.11 111.107 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 1.595 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -76.0 66.29 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.064 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.68 -76.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.51 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.1 90.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 72.42 110.878 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -76.96 -29.14 55.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 74.21 110.919 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.41 110.917 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.517 -0.233 . . . . 13.1 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.726 ' O ' HG23 ' A' ' 6' ' ' VAL . 62.5 m95 -66.63 -48.39 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.339 . . . . 63.32 110.936 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.52 -30.12 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.12 111.117 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.21 -41.25 61.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 71.11 111.132 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 2' ' ' TRP . 80.7 t -62.05 -38.33 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.24 111.119 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.73 -40.19 18.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 64.45 112.467 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -20.46 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 34.12 111.096 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.78 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.25 117.1 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.76 . . . . 63.43 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -60.38 -18.4 50.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 61.44 111.11 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.71 -19.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 70.3 111.164 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.525 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.5 t -55.21 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 63.04 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.943 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -35.4 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 55.42 111.114 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 m -100.73 22.04 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 70.3 110.895 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.34 127.17 5.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 71.12 112.499 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.21 -20.19 42.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 53.45 112.487 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.68 -34.15 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 74.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.81 1.2 89.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 34.13 112.487 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.525 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 51.8 m -53.02 -27.77 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 65.02 111.174 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.69 -27.05 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.98 -61.77 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 45.23 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -62.81 -60.01 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.079 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.06 60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.03 111.122 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -71.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 63.11 111.114 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t 178.11 102.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 71.03 110.896 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -77.35 -43.92 31.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 63.44 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 63.25 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.48 -0.248 . . . . 61.12 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -73.0 -34.25 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 70.33 110.895 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.33 -24.87 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 75.03 111.147 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.32 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.111 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.73 -24.72 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 62.51 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -58.67 -60.74 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.159 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.15 -28.28 53.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 65.5 112.467 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -12.59 61.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 64.21 111.119 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.65 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.873 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.02 128.62 1.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 62.23 112.486 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -61.22 -17.17 51.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 74.11 111.121 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.34 -16.99 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 64.41 111.151 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.563 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m -55.12 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.52 110.908 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.68 -45.29 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 62.5 110.957 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -25.23 58.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.081 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -94.44 -18.19 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 62.51 110.875 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.28 -36.27 4.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 52.24 112.493 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.93 -19.06 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 73.55 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.81 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 60.02 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.44 -17.91 29.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 62.44 112.495 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.563 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.2 m -49.71 -58.15 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 75.12 111.16 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.75 -24.74 67.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.2 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -73.24 -61.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 71.35 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -26.15 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 74.41 111.086 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.43 -20.72 57.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 74.52 111.16 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 62.34 111.094 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 p -52.91 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.847 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -76.88 -24.99 52.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.883 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 65.04 110.899 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 4.51 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -74.1 -27.29 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 74.4 110.923 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.44 -25.15 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 63.24 111.127 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.83 -25.42 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 65.43 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.465 ' SG ' ' CA ' ' A' ' 28' ' ' DTY . 0.0 OUTLIER -64.72 -67.51 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.55 110.868 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.09 -26.13 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.67 -35.58 38.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 73.13 112.477 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.628 ' HB2' ' HE2' ' A' ' 28' ' ' DTY . . . -68.41 -51.3 45.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 60.52 111.068 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.575 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 70.2 m -53.4 -49.54 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.857 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -39.05 65.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 71.45 112.457 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -56.63 -44.34 81.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 71.23 111.164 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.89 -45.02 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 63.21 111.162 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.556 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.8 m -55.67 -40.19 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 73.12 110.915 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.38 -40.19 93.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 64.21 110.913 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.69 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -100.48 -18.11 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 71.35 110.885 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.32 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 63.02 112.503 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.33 33.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 54.31 112.478 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.79 -48.87 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 54.42 111.094 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.28 55.39 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 63.13 112.481 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.556 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 95.5 m -49.89 -49.47 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 70.33 111.159 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.97 -30.08 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -73.41 -41.93 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 62.31 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.47 76.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 70.15 111.115 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 1.575 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -69.62 83.89 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 71.42 111.128 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.106 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.22 104.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 70.44 110.817 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' DTY . . . . . 1.465 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -80.14 -56.91 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.905 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.888 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.481 -0.248 . . . . 64.05 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -62.97 -58.83 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.779 0.323 . . . . 75.54 110.932 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.28 -25.2 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.32 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.21 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.081 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -44.72 76.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 60.43 110.889 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.79 -26.28 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 63.22 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.53 42.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 74.32 112.493 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.67 -13.62 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 73.15 111.06 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 t -86.39 5.76 33.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.39 -120.71 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 44.44 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -57.59 -26.55 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 74.44 111.114 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.97 -39.8 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.178 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.541 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 33.2 t -56.92 -50.97 70.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.864 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.97 -47.94 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.903 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.56 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 43.54 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -98.47 22.09 10.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 54.42 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.73 127.35 6.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 75.44 112.481 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.55 55.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.772 -0.728 . . . . 62.33 112.445 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 m -62.8 -24.4 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 65.55 111.08 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.09 -8.61 87.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 72.11 112.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.541 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 98.9 m -49.6 -60.83 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 70.32 111.142 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.46 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.24 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -73.6 -61.46 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.69 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 44.13 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.26 -29.88 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 111.109 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -75.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.134 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 p 178.05 172.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 70.34 110.908 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -81.08 -44.37 18.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 71.21 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 72.24 110.893 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.44 -0.264 . . . . 64.1 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -55.9 -45.95 78.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 62.05 110.966 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.49 -28.47 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 62.45 111.123 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.64 -36.68 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 61.34 111.065 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -46.45 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 45.42 110.849 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.31 -28.55 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.32 111.113 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.34 -56.01 3.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 61.43 112.53 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -11.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 74.22 111.132 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.547 ' CA ' ' HB1' ' A' ' 24' ' ' ALA . . . -176.26 130.23 1.65 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 71.55 112.477 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 m -61.89 -15.95 46.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 64.53 111.11 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 24' ' ' ALA . 5.3 p -70.17 -26.28 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 64.11 111.134 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.547 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -54.31 -54.16 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.14 110.918 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.01 -41.97 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 71.2 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.23 48.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 63.23 111.123 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -93.9 -18.2 22.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.833 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.32 -44.68 2.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 52.12 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.87 -33.74 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 65.22 112.519 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.31 -24.02 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 72.42 111.153 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.85 -16.69 54.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 62.13 112.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.547 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.9 m -50.42 -50.82 50.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 43.42 111.134 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.7 -26.53 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -78.53 -62.5 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.547 ' HB1' ' CA ' ' A' ' 10' ' ' GLY . . . -63.6 -60.32 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 54.53 111.107 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.52 67.36 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 55.24 111.097 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -62.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 62.01 111.102 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.12 91.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.839 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -81.41 -50.44 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 73.15 110.843 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.911 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.505 -0.238 . . . . 73.2 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -74.43 -54.4 7.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 75.51 110.906 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.34 -25.65 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.23 111.092 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.85 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 61.12 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -64.94 -54.35 32.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 71.42 110.872 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -60.0 -26.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 73.01 111.133 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.07 -61.21 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 74.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.498 ' HB3' ' HE1' ' A' ' 28' ' ' DTY . . . -70.43 -33.31 71.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 54.33 111.14 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.6 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.7 m -52.26 -57.04 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.908 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.45 135.09 2.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 73.21 112.445 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -62.56 -14.88 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 71.4 111.179 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -69.29 -22.68 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 71.14 111.165 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 4.6 t -55.01 -54.95 36.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 62.23 110.875 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.83 -27.7 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 53.33 110.904 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -24.08 52.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.086 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 m -95.1 22.11 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.851 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.63 19.52 54.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 74.11 112.484 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.73 -24.56 29.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 52.41 112.478 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.76 -25.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 31.22 111.153 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.97 -9.4 62.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 64.52 112.455 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.4 m -50.38 -45.32 55.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 72.04 111.084 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.04 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -78.94 -63.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.875 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -63.55 -60.86 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.089 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 1.6 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -83.64 51.64 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 55.5 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.57 -68.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.22 111.129 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -52.73 -49.14 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.827 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' DTY . . . . . 0.498 ' HE1' ' HB3' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -39.04 51.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.912 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 54.51 110.914 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.525 -0.23 . . . . 41.15 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.71 -60.28 2.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.808 0.337 . . . . 73.42 110.91 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -62.7 -24.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 33.14 111.09 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.95 -27.54 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 50.11 111.112 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.84 -51.74 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.856 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.95 -30.56 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.196 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.62 -31.0 46.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 64.14 112.451 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.13 -22.19 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 64.44 111.122 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.859 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.35 123.74 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 71.31 112.463 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 p -63.32 87.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 72.01 111.16 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.62 -54.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 63.4 111.138 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.544 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 8.0 p -54.16 -31.14 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 62.45 110.878 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.86 -60.27 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 -30.79 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.089 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -101.08 19.28 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 51.03 110.89 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.8 119.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 72.23 112.491 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.29 114.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 50.04 112.465 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.95 -16.48 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 74.55 111.113 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.46 34.39 4.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 71.24 112.491 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.544 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 53.2 m -53.95 -25.22 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 64.42 111.155 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.08 -16.54 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 71.24 110.905 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -72.06 -21.45 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.833 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -53.53 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 70.52 111.06 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 35.33 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.52 -71.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 65.3 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t 178.03 111.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 72.44 110.846 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.05 -42.62 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.893 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.11 110.953 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 71.23 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -64.99 -27.82 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 73.44 110.953 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.2 -27.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 72.13 111.114 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.61 -41.21 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 71.05 111.138 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.612 ' SG ' ' HA ' ' A' ' 28' ' ' DTY . 0.8 OUTLIER -67.33 -45.18 77.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.1 110.887 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p -59.14 -26.34 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.092 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.28 -49.74 5.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 73.31 112.514 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 72.22 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.565 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.2 m -51.87 -68.67 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.872 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.87 122.67 1.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 70.22 112.51 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -60.97 -17.6 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 60.51 111.106 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.47 -13.76 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.1 111.125 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.577 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m -55.15 -57.81 10.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 61.15 110.869 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -44.68 80.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.25 110.899 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -24.9 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.35 111.094 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -94.22 -18.14 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.1 110.823 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.68 -37.74 3.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 73.41 112.476 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.28 -19.28 0.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 75.44 112.514 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.84 -25.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 61.22 111.127 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.69 -18.11 31.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 61.21 112.464 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.577 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.5 m -49.66 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 72.44 111.14 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.81 -23.78 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 72.53 110.91 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -73.35 -60.32 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 73.25 110.862 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.65 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 64.42 111.053 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 1.565 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -70.65 81.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 51.32 111.107 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -71.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.117 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.13 80.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.25 110.878 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' DTY . . . . . 1.612 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.5 -57.95 3.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.886 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 75.54 110.939 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.551 -0.219 . . . . 62.22 112.551 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -61.13 -33.05 72.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 74.44 110.942 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -61.35 -24.61 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.53 111.141 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.48 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 54.13 111.142 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.77 -43.57 79.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.25 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.8 m -61.1 -34.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 70.42 111.127 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.58 -50.55 4.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 75.34 112.511 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -10.05 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 20.4 111.088 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.72 102.5 0.16 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 34.04 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -12.38 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 70.53 111.17 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 t -68.8 -56.78 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.113 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.571 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 11.0 p -56.36 -24.4 44.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.851 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 14' ' ' LEU . 2.1 tt -67.55 -22.04 65.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.922 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.17 36.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.099 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 m -93.28 22.06 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 63.32 110.873 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.55 -80.26 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 73.41 112.494 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.51 -35.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 63.13 112.495 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.69 -22.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 64.13 111.172 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.98 -36.38 28.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 73.44 112.459 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.571 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 67.5 m -51.63 -26.32 8.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 72.25 111.151 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.01 -24.37 53.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -73.09 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 61.43 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -19.46 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 44.1 111.098 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -10.7 59.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.095 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.44 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 64.44 111.12 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.6 m -55.29 -70.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 73.35 110.844 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -76.78 -24.03 52.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 54.33 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.55 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.521 -0.232 . . . . 75.42 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -60.82 -25.85 66.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 72.31 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -62.72 -30.22 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.43 111.126 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.24 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.071 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.4 t -67.74 -47.83 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.45 110.895 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 m -58.84 -32.54 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 70.55 111.105 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.38 -50.36 7.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 62.35 112.497 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.572 ' O ' HG22 ' A' ' 11' ' ' THR . . . -69.95 -11.04 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 73.22 111.08 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -18.56 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.05 110.843 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 68.59 2.17 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 51.22 112.453 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 8' ' ' ALA . 4.8 t -179.0 143.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 74.34 111.139 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 12' ' ' VAL . 4.2 t 67.05 13.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 42.1 111.128 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.571 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 7.5 t -57.27 -24.95 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -64.04 -25.29 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.912 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.03 44.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 52.13 111.138 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 t -94.14 -18.1 22.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 18.77 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 73.23 112.492 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.71 -55.84 4.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 73.34 112.484 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.7 -17.69 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 61.54 111.151 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.49 33.04 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 73.2 112.531 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.571 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.8 m -50.0 -61.56 2.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 64.32 111.15 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.15 -17.57 58.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 52.32 110.843 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.01 -28.63 62.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.922 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -21.92 61.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 62.03 111.092 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.77 -19.76 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.04 111.051 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.84 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 41.12 111.099 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p -54.62 -63.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.45 110.822 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -79.54 -35.05 40.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 45.32 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 72.42 110.915 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.446 -0.262 . . . . 64.34 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -53.65 -32.52 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.343 . . . . 64.41 110.931 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 6' ' ' VAL . 46.4 t -64.41 -46.05 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.41 111.135 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.78 -18.33 54.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 72.42 111.139 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -64.67 -24.99 67.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 65.45 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 3' ' ' VAL . 10.1 p -58.84 -26.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.86 -60.3 4.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.524 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.22 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 42.42 111.102 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -58.82 -22.05 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.841 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.57 -48.3 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 32.22 112.465 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -59.94 -54.88 40.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 74.34 111.124 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.27 -26.6 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 72.2 111.146 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.619 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 42.6 t -55.39 -39.97 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.03 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.89 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 75.23 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -25.26 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 54.34 111.112 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -100.12 22.11 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 50.52 110.896 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.01 106.62 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 74.13 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 21' ' ' THR . . . -70.22 -9.84 64.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 73.42 112.5 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.7 -23.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 65.41 111.092 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.79 41.33 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 64.11 112.514 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.619 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 71.1 p -48.23 -63.79 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 73.44 111.19 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -58.71 -22.38 57.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.903 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -73.31 -29.27 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 9' ' ' CYS . . . -62.74 -34.47 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.13 111.089 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.53 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 65.5 111.094 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.57 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 60.45 111.099 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t -53.54 -60.49 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 71.31 110.87 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.0 -42.93 36.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 72.23 110.903 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.952 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 61.31 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -75.25 -27.57 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 73.33 110.947 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 m -65.35 -27.58 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.44 111.136 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.44 -42.77 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 51.01 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.45 -45.93 74.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 22.23 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.33 -26.77 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 64.54 111.082 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.97 -41.43 8.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 61.1 112.51 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.4 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 51.01 111.127 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -18.48 61.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.865 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.9 -46.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 73.52 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 p -56.56 -44.3 80.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 73.42 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -72.35 -39.47 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.15 111.079 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.612 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 16.7 t -58.6 -52.24 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.866 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.23 95.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.905 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.43 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.01 111.139 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.9 m -95.53 22.11 7.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.865 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.16 -56.67 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 62.43 112.504 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.31 21.4 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 51.32 112.512 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.55 -48.34 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 75.22 111.116 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.76 59.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.506 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.612 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 71.8 p -48.09 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 71.44 111.132 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -59.32 -22.87 61.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.877 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.37 -42.47 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.853 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.112 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.31 59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 61.12 111.086 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -72.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 31.24 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.12 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.857 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -77.49 -42.22 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.925 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.511 -0.236 . . . . 51.42 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -74.99 -27.49 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 72.12 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.91 -26.91 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 75.44 111.089 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.79 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.24 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.421 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 52.4 t -67.44 -50.36 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.41 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.15 -28.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 70.33 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.02 -33.68 23.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.487 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.1 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 75.24 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.9 m -54.88 -26.89 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 73.02 110.89 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.25 -46.24 57.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 71.34 112.445 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -59.84 -37.76 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 55.12 111.129 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.9 -55.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.35 111.159 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.565 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.5 m -55.45 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.15 110.921 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.56 -41.25 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 63.11 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.27 65.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.109 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -100.69 22.15 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.847 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.49 -59.01 4.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 71.4 112.48 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.36 42.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 54.05 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.81 -52.67 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 74.33 111.111 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.84 65.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 23.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.565 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.2 m -50.44 -45.94 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 72.11 111.128 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -61.77 -30.94 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.35 -49.05 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -59.66 -25.16 64.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 75.22 111.08 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.23 -25.18 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.55 111.1 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.22 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 70.14 111.138 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.849 -179.799 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.421 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 5.1 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.37 . . . . 73.21 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 55.13 110.932 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.549 -0.221 . . . . 65.43 112.549 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 -56.07 -25.92 47.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 72.45 110.903 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.27 -25.4 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 72.42 111.169 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.5 -44.54 50.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 63.54 111.138 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.2 -48.68 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 55.43 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -59.21 -26.72 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.31 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.77 -60.54 8.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 60.52 112.508 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HA ' HG23 ' A' ' 12' ' ' VAL . . . -69.54 -24.71 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 62.13 111.101 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.52 -25.12 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.44 110.857 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.24 -52.0 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 64.02 112.493 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -56.53 -55.89 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 73.12 111.142 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 8' ' ' ALA . 92.3 t -73.75 -26.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.33 111.111 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.56 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 11.7 t -55.43 -46.29 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.854 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.01 -37.7 88.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.881 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.37 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 72.33 111.073 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -100.63 -18.17 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 55.21 110.81 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.22 128.29 2.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 61.33 112.448 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.43 -19.27 64.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 73.11 112.487 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.72 -25.59 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 65.32 111.141 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 20.41 20.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 72.44 112.452 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.56 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 92.7 m -50.27 -47.93 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 72.45 111.183 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.86 -29.45 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.907 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.36 -28.24 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.34 110.875 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.04 81.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 62.2 111.133 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.9 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.02 111.126 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.97 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 61.4 111.118 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 62.12 110.876 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 t80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.889 0.376 . . . . 72.31 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.884 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.544 -0.222 . . . . 75.53 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -77.51 -34.63 54.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 73.23 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.55 -25.11 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 44.05 111.146 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.37 -32.05 48.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.33 111.123 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.538 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -65.33 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.834 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.56 -26.29 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.151 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.66 -20.82 72.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.35 112.448 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -59.64 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.368 . . . . 73.22 111.101 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.3 p -70.42 -24.99 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.85 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.14 -54.47 37.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 44.13 112.477 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.1 m -59.85 -34.43 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 53.12 111.152 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.31 -27.29 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 65.32 111.167 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.545 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.6 t -55.6 -45.68 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 50.24 110.903 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.93 -48.62 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.29 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 33.02 111.103 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -95.91 -18.14 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 53.24 110.879 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.61 -88.75 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 34.4 112.51 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.52 -19.51 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 35.41 112.499 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.79 -45.54 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.382 . . . . 52.13 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.87 35.73 4.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 41.15 112.487 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.545 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 89.7 m -50.49 -45.81 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.795 0.331 . . . . 72.42 111.148 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.86 -30.76 71.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 53.21 110.86 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.36 -49.59 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.864 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -59.63 -53.65 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.23 111.114 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.77 61.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 63.12 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.59 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.144 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 61.15 110.861 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.538 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 8.0 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.87 0.367 . . . . 63.54 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 53.43 110.883 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 21.03 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -57.06 -59.83 4.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.771 0.319 . . . . 73.45 110.944 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.14 -25.84 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 71.22 111.139 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.82 -25.26 56.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.14 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.05 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.75 -35.81 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 63.3 111.157 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 -60.24 7.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 70.43 112.476 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 23.35 111.104 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.02 -38.44 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 71.12 110.884 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.33 -31.56 54.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 35.34 112.482 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 m -57.55 -36.74 72.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 65.11 111.157 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -72.34 -24.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 70.31 111.107 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.546 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -55.33 -44.1 75.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -41.88 96.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.39 58.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 65.41 111.143 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -98.08 -18.14 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 73.11 110.865 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.08 -75.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 74.23 112.484 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.58 -19.43 2.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 73.42 112.517 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.8 -33.1 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 70.14 111.094 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.01 46.77 1.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 43.43 112.496 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.546 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 93.3 m -50.31 -49.11 54.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 73.25 111.156 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.85 -28.33 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 71.31 110.863 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -73.41 -32.5 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.34 93.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 63.53 111.088 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.36 59.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 51.45 111.077 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.56 -62.23 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.111 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 63.35 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.915 0.388 . . . . 75.22 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.507 -0.237 . . . . 73.11 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 72.11 110.912 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.1 m -65.53 -25.98 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.139 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.31 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 50.24 111.143 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.573 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 2.0 t -64.84 -52.38 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.17 -26.51 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.79 -21.25 43.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 54.13 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -59.65 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.354 . . . . 71.33 111.107 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.89 -25.71 59.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 63.33 110.875 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 -35.45 91.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 62.42 112.45 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 m -59.93 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 70.31 111.141 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 t -72.43 -29.28 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.2 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.7 t -55.36 -62.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 73.04 110.882 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.15 -34.95 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 71.23 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 22.1 12.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 61.22 110.815 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.02 -93.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 62.43 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.61 -19.31 3.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 53.41 112.499 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 m -62.82 -25.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 72.45 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.21 22.96 14.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 31.24 112.526 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 83.1 m -50.46 -40.58 51.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.778 0.323 . . . . 75.22 111.151 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.46 -34.89 76.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 65.1 110.928 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -73.41 -56.62 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.851 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.104 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.12 59.92 1.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 61.2 111.142 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -72.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.34 111.158 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 73.01 110.867 -179.852 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 10.3 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.864 0.364 . . . . 64.43 110.852 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 73.41 110.961 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.463 -0.255 . . . . 64.1 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.545 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.6 t90 -68.64 -32.89 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 75.42 110.899 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.46 -32.32 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 75.32 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.29 -37.5 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 54.25 111.135 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.81 -40.13 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.855 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 2' ' ' TRP . 68.6 t -62.04 -60.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 62.32 111.117 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.59 -21.63 65.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 41.22 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.29 -23.22 65.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 62.35 111.125 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 m -51.83 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.913 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.86 126.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 71.12 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -60.1 -19.59 54.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.34 . . . . 61.12 111.136 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.99 -17.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.3 111.117 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 15.7 t -55.12 -64.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 65.2 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 14' ' ' LEU . 3.9 tt -65.06 -29.65 70.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 74.3 110.932 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -23.3 48.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.01 111.065 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -94.91 22.04 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 64.4 110.881 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.32 -49.27 3.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 61.42 112.468 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.55 -19.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 42.22 112.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.77 -28.0 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 73.34 111.127 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.51 -11.08 69.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 65.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 95.3 m -50.1 -51.09 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.312 . . . . 72.2 111.136 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -61.03 -27.14 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 64.1 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -77.93 -61.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.5 110.85 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -62.8 -60.06 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 50.12 111.103 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.23 60.04 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.058 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.57 -70.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 70.32 111.105 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.866 -179.783 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 74.23 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.905 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.245 . . . . 52.23 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -66.86 -26.0 66.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 75.13 110.942 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.37 -29.75 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.1 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.92 -31.96 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 62.34 111.092 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 1.9 m -66.3 -28.89 69.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 62.25 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.84 -26.41 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 54.44 111.134 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.42 -49.7 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 74.41 112.48 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.31 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 61.23 111.109 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.588 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.3 m -61.27 -40.39 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 61.14 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.19 -36.77 57.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 52.12 112.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 m -57.69 -55.33 36.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 74.33 111.145 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -72.49 -24.96 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.139 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.551 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 2.0 t -55.38 -28.57 54.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 62.13 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.94 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -29.19 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 75.45 111.12 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -96.68 22.08 8.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.842 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.76 122.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.463 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.76 -18.53 68.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 60.22 112.523 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.71 -27.58 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 64.2 111.167 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.5 40.8 2.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 62.35 112.513 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.551 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 94.4 m -50.1 -48.95 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 73.54 111.152 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.83 -29.04 69.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.4 -38.43 65.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . . . -59.56 -29.55 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.55 111.149 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 1.588 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -71.93 78.78 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 61.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.74 -67.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 61.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 63.54 110.837 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.472 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 53.2 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.895 0.379 . . . . 75.25 110.925 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 72.13 110.931 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 60.35 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -64.4 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 74.32 110.911 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.32 -26.48 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 75.22 111.139 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 -38.87 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 63.05 111.11 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.583 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 1.2 m -67.7 -45.45 75.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.837 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.83 -33.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 65.12 111.131 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.53 -31.87 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 73.23 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.69 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 45.34 111.032 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.595 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -51.99 -40.14 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 62.05 110.898 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.29 66.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 63.51 112.498 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -56.58 -35.22 67.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 50.54 111.145 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.87 -38.2 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 73.44 111.152 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.541 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 4.5 m -56.09 -27.8 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 62.54 110.876 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -38.6 91.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.27 -30.41 62.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.083 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -100.49 -18.11 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 62.53 110.865 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.02 -19.17 27.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 61.21 112.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.01 23.7 3.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 65.43 112.434 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.31 -43.06 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 74.11 111.13 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.2 54.21 0.76 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 71.53 112.473 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.541 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 97.1 m -49.75 -51.38 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 50.31 111.136 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.73 -27.97 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 71.55 110.862 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.93 -42.44 60.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 62.24 110.866 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.32 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 41.11 111.107 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 1.595 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -76.0 66.29 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.064 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.68 -76.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.51 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 72.42 110.878 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.583 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 38.4 p90 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.931 0.396 . . . . 74.21 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.41 110.917 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.517 -0.233 . . . . 13.1 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.726 ' O ' HG23 ' A' ' 6' ' ' VAL . 62.5 m95 -66.63 -48.39 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.339 . . . . 63.32 110.936 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.52 -30.12 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.12 111.117 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.21 -41.25 61.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 71.11 111.132 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 1.5 m -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.858 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 2' ' ' TRP . 80.7 t -62.05 -38.33 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.24 111.119 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.73 -40.19 18.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 64.45 112.467 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -20.46 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 34.12 111.096 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.78 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.25 117.1 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.76 . . . . 63.43 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -60.38 -18.4 50.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 61.44 111.11 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.71 -19.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 70.3 111.164 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.525 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.5 t -55.21 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 63.04 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.943 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -35.4 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 55.42 111.114 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 m -100.73 22.04 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 70.3 110.895 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.34 127.17 5.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 71.12 112.499 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.21 -20.19 42.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 53.45 112.487 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.68 -34.15 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 74.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.81 1.2 89.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 34.13 112.487 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.525 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 51.8 m -53.02 -27.77 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 65.02 111.174 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.69 -27.05 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.98 -61.77 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 45.23 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -62.81 -60.01 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.079 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.06 60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.03 111.122 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -71.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 63.11 111.114 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 71.03 110.896 -179.776 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 14.2 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.889 0.376 . . . . 63.44 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 63.25 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.48 -0.248 . . . . 61.12 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -73.0 -34.25 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 70.33 110.895 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.33 -24.87 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 75.03 111.147 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.32 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.111 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.73 -24.72 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 62.51 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -58.67 -60.74 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.159 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.15 -28.28 53.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 65.5 112.467 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -12.59 61.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 64.21 111.119 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.65 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.873 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.02 128.62 1.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 62.23 112.486 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -61.22 -17.17 51.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 74.11 111.121 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.34 -16.99 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 64.41 111.151 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.563 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m -55.12 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.52 110.908 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.68 -45.29 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 62.5 110.957 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -25.23 58.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.081 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -94.44 -18.19 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 62.51 110.875 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.28 -36.27 4.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 52.24 112.493 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.93 -19.06 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 73.55 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.81 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 60.02 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.44 -17.91 29.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 62.44 112.495 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.563 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.2 m -49.71 -58.15 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 75.12 111.16 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.75 -24.74 67.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.2 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -73.24 -61.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 71.35 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -26.15 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 74.41 111.086 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.43 -20.72 57.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 74.52 111.16 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 62.34 111.094 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.847 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.936 0.398 . . . . 71.32 110.883 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 65.04 110.899 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 4.51 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -74.1 -27.29 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 74.4 110.923 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.44 -25.15 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 63.24 111.127 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.83 -25.42 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 65.43 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -67.51 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.55 110.868 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.09 -26.13 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.67 -35.58 38.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 73.13 112.477 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.41 -51.3 45.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 60.52 111.068 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.575 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 70.2 m -53.4 -49.54 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.857 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -39.05 65.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 71.45 112.457 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -56.63 -44.34 81.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 71.23 111.164 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.89 -45.02 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 63.21 111.162 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.556 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.8 m -55.67 -40.19 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 73.12 110.915 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.38 -40.19 93.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 64.21 110.913 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.69 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -100.48 -18.11 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 71.35 110.885 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.32 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 63.02 112.503 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.33 33.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 54.31 112.478 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.79 -48.87 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 54.42 111.094 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.28 55.39 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 63.13 112.481 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.556 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 95.5 m -49.89 -49.47 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 70.33 111.159 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.97 -30.08 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -73.41 -41.93 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 62.31 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.47 76.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 70.15 111.115 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 1.575 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -69.62 83.89 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 71.42 111.128 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.106 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 70.44 110.817 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.873 0.368 . . . . 74.33 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.888 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.481 -0.248 . . . . 64.05 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -62.97 -58.83 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.779 0.323 . . . . 75.54 110.932 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.28 -25.2 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.32 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.21 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.081 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.547 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -67.73 -44.72 76.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 60.43 110.889 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.79 -26.28 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 63.22 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.53 42.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 74.32 112.493 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.67 -13.62 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 73.15 111.06 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 t -86.39 5.76 33.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.39 -120.71 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 44.44 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -57.59 -26.55 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 74.44 111.114 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.97 -39.8 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.178 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.541 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 33.2 t -56.92 -50.97 70.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.864 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.97 -47.94 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.903 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.56 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 43.54 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -98.47 22.09 10.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 54.42 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.73 127.35 6.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 75.44 112.481 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.55 55.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.772 -0.728 . . . . 62.33 112.445 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 m -62.8 -24.4 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 65.55 111.08 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.09 -8.61 87.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 72.11 112.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.541 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 98.9 m -49.6 -60.83 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 70.32 111.142 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.46 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.24 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -73.6 -61.46 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.69 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 44.13 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.26 -29.88 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 111.109 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -75.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.134 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 70.34 110.908 -179.805 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.547 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 24.4 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.915 0.388 . . . . 71.21 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 72.24 110.893 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.44 -0.264 . . . . 64.1 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -55.9 -45.95 78.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 62.05 110.966 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.49 -28.47 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 62.45 111.123 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.64 -36.68 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 61.34 111.065 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -46.45 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 45.42 110.849 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.31 -28.55 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.32 111.113 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.34 -56.01 3.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 61.43 112.53 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -11.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 74.22 111.132 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.547 ' CA ' ' HB1' ' A' ' 24' ' ' ALA . . . -176.26 130.23 1.65 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 71.55 112.477 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 m -61.89 -15.95 46.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 64.53 111.11 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 24' ' ' ALA . 5.3 p -70.17 -26.28 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 64.11 111.134 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.547 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -54.31 -54.16 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.14 110.918 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.01 -41.97 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 71.2 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.23 48.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 63.23 111.123 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -93.9 -18.2 22.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.833 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.32 -44.68 2.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 52.12 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.87 -33.74 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 65.22 112.519 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.31 -24.02 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 72.42 111.153 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.85 -16.69 54.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 62.13 112.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.547 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.9 m -50.42 -50.82 50.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 43.42 111.134 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.7 -26.53 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -78.53 -62.5 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.547 ' HB1' ' CA ' ' A' ' 10' ' ' GLY . . . -63.6 -60.32 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 54.53 111.107 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.52 67.36 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 55.24 111.097 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -62.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 62.01 111.102 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.839 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.861 0.362 . . . . 73.15 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.911 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.505 -0.238 . . . . 73.2 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -74.43 -54.4 7.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 75.51 110.906 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.34 -25.65 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.23 111.092 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.85 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 61.12 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -64.94 -54.35 32.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 71.42 110.872 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -60.0 -26.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 73.01 111.133 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.07 -61.21 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 74.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.31 71.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 54.33 111.14 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.6 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.7 m -52.26 -57.04 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.908 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.45 135.09 2.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 73.21 112.445 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -62.56 -14.88 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 71.4 111.179 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -69.29 -22.68 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 71.14 111.165 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 4.6 t -55.01 -54.95 36.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 62.23 110.875 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.83 -27.7 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 53.33 110.904 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -24.08 52.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.086 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 m -95.1 22.11 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.851 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.63 19.52 54.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 74.11 112.484 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.73 -24.56 29.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 52.41 112.478 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.76 -25.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 31.22 111.153 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.97 -9.4 62.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 64.52 112.455 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.4 m -50.38 -45.32 55.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 72.04 111.084 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.04 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -78.94 -63.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.875 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -63.55 -60.86 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.089 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 1.6 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -83.64 51.64 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 55.5 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.57 -68.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.22 111.129 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.827 -179.775 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.868 0.366 . . . . 74.31 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 54.51 110.914 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.525 -0.23 . . . . 41.15 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.71 -60.28 2.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.808 0.337 . . . . 73.42 110.91 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -62.7 -24.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 33.14 111.09 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.95 -27.54 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 50.11 111.112 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.84 -51.74 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.856 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.95 -30.56 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.196 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.62 -31.0 46.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 64.14 112.451 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.13 -22.19 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 64.44 111.122 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.859 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.35 123.74 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 71.31 112.463 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 p -63.32 87.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 72.01 111.16 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.62 -54.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 63.4 111.138 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.544 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 8.0 p -54.16 -31.14 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 62.45 110.878 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.86 -60.27 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 -30.79 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.089 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -101.08 19.28 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 51.03 110.89 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.8 119.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 72.23 112.491 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.29 114.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 50.04 112.465 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.95 -16.48 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 74.55 111.113 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.46 34.39 4.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 71.24 112.491 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.544 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 53.2 m -53.95 -25.22 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 64.42 111.155 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.08 -16.54 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 71.24 110.905 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -72.06 -21.45 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.833 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -53.53 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 70.52 111.06 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 35.33 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.52 -71.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 65.3 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 72.44 110.846 -179.784 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.899 0.381 . . . . 74.13 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.11 110.953 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 71.23 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -64.99 -27.82 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 73.44 110.953 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.2 -27.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 72.13 111.114 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.61 -41.21 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 71.05 111.138 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.525 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -67.33 -45.18 77.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.1 110.887 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p -59.14 -26.34 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.092 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.28 -49.74 5.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 73.31 112.514 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 72.22 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.565 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.2 m -51.87 -68.67 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.872 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.87 122.67 1.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 70.22 112.51 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -60.97 -17.6 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 60.51 111.106 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.47 -13.76 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.1 111.125 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.577 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m -55.15 -57.81 10.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 61.15 110.869 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -44.68 80.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.25 110.899 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -24.9 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.35 111.094 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -94.22 -18.14 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.1 110.823 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.68 -37.74 3.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 73.41 112.476 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.28 -19.28 0.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 75.44 112.514 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.84 -25.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 61.22 111.127 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.69 -18.11 31.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 61.21 112.464 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.577 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.5 m -49.66 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 72.44 111.14 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.81 -23.78 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 72.53 110.91 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -73.35 -60.32 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 73.25 110.862 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.65 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 64.42 111.053 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 1.565 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -70.65 81.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 51.32 111.107 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -71.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.117 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.25 110.878 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.525 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 3.2 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.894 0.378 . . . . 72.34 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 75.54 110.939 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.551 -0.219 . . . . 62.22 112.551 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -61.13 -33.05 72.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 74.44 110.942 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -61.35 -24.61 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.53 111.141 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.48 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 54.13 111.142 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.77 -43.57 79.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.25 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.8 m -61.1 -34.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 70.42 111.127 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.58 -50.55 4.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 75.34 112.511 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -10.05 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 20.4 111.088 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.72 102.5 0.16 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 34.04 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -12.38 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 70.53 111.17 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 t -68.8 -56.78 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.113 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.571 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 11.0 p -56.36 -24.4 44.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.851 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 14' ' ' LEU . 2.1 tt -67.55 -22.04 65.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.922 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.17 36.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.099 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 m -93.28 22.06 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 63.32 110.873 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.55 -80.26 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 73.41 112.494 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.51 -35.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 63.13 112.495 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.69 -22.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 64.13 111.172 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.98 -36.38 28.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 73.44 112.459 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.571 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 67.5 m -51.63 -26.32 8.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 72.25 111.151 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.01 -24.37 53.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -73.09 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 61.43 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -19.46 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 44.1 111.098 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -10.7 59.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.095 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.44 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 64.44 111.12 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 73.35 110.844 -179.765 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.885 0.374 . . . . 54.33 110.887 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.55 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.521 -0.232 . . . . 75.42 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -60.82 -25.85 66.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 72.31 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -62.72 -30.22 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.43 111.126 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.24 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.071 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.4 t -67.74 -47.83 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.45 110.895 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 m -58.84 -32.54 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 70.55 111.105 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.38 -50.36 7.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 62.35 112.497 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.572 ' O ' HG22 ' A' ' 11' ' ' THR . . . -69.95 -11.04 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 73.22 111.08 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -18.56 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.05 110.843 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 68.59 2.17 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 51.22 112.453 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 8' ' ' ALA . 4.8 t -179.0 143.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 74.34 111.139 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 12' ' ' VAL . 4.2 t 67.05 13.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 42.1 111.128 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.571 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 7.5 t -57.27 -24.95 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -64.04 -25.29 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.912 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.03 44.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 52.13 111.138 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 t -94.14 -18.1 22.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 18.77 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 73.23 112.492 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.71 -55.84 4.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 73.34 112.484 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.7 -17.69 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 61.54 111.151 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.49 33.04 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 73.2 112.531 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.571 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.8 m -50.0 -61.56 2.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 64.32 111.15 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.15 -17.57 58.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 52.32 110.843 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.01 -28.63 62.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.922 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -21.92 61.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 62.03 111.092 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.77 -19.76 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.04 111.051 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.84 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 41.12 111.099 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.45 110.822 -179.754 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.879 0.371 . . . . 45.32 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 72.42 110.915 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.446 -0.262 . . . . 64.34 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -53.65 -32.52 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.343 . . . . 64.41 110.931 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 6' ' ' VAL . 46.4 t -64.41 -46.05 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.41 111.135 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.78 -18.33 54.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 72.42 111.139 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.535 ' HG ' ' N ' ' A' ' 29' ' ' PHE . 2.5 t -64.67 -24.99 67.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 65.45 110.87 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 3' ' ' VAL . 10.1 p -58.84 -26.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.86 -60.3 4.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.524 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.22 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 42.42 111.102 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -58.82 -22.05 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.841 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.57 -48.3 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 32.22 112.465 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -59.94 -54.88 40.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 74.34 111.124 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.27 -26.6 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 72.2 111.146 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.619 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 42.6 t -55.39 -39.97 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.03 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.89 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 75.23 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -25.26 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 54.34 111.112 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -100.12 22.11 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 50.52 110.896 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.01 106.62 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 74.13 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 21' ' ' THR . . . -70.22 -9.84 64.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 73.42 112.5 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.7 -23.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 65.41 111.092 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.79 41.33 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 64.11 112.514 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.619 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 71.1 p -48.23 -63.79 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 73.44 111.19 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -58.71 -22.38 57.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.903 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -73.31 -29.27 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 9' ' ' CYS . . . -62.74 -34.47 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.13 111.089 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.53 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 65.5 111.094 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.57 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 60.45 111.099 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 71.31 110.87 -179.787 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.535 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 2.0 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.891 0.377 . . . . 72.23 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.952 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 61.31 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -75.25 -27.57 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 73.33 110.947 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 m -65.35 -27.58 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.44 111.136 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.44 -42.77 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 51.01 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.45 -45.93 74.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 22.23 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.33 -26.77 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 64.54 111.082 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.97 -41.43 8.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 61.1 112.51 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.4 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 51.01 111.127 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -18.48 61.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.865 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.9 -46.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 73.52 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 p -56.56 -44.3 80.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 73.42 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -72.35 -39.47 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.15 111.079 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.612 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 16.7 t -58.6 -52.24 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.866 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.23 95.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.905 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.43 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.01 111.139 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.9 m -95.53 22.11 7.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.865 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.16 -56.67 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 62.43 112.504 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.31 21.4 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 51.32 112.512 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.55 -48.34 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 75.22 111.116 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.76 59.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.506 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.612 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 71.8 p -48.09 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 71.44 111.132 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -59.32 -22.87 61.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.877 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.37 -42.47 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.853 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.112 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.31 59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 61.12 111.086 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -72.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 31.24 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.857 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.871 0.367 . . . . 74.34 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.925 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.511 -0.236 . . . . 51.42 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -74.99 -27.49 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 72.12 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.91 -26.91 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 75.44 111.089 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.79 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.24 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.44 -50.36 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.41 110.897 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.15 -28.49 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 70.33 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.02 -33.68 23.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.487 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.1 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 75.24 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.9 m -54.88 -26.89 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 73.02 110.89 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.25 -46.24 57.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 71.34 112.445 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -59.84 -37.76 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 55.12 111.129 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.9 -55.05 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.35 111.159 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.565 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.5 m -55.45 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.15 110.921 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.56 -41.25 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 63.11 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.27 65.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.109 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -100.69 22.15 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.847 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.49 -59.01 4.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 71.4 112.48 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.36 42.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 54.05 112.49 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.81 -52.67 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 74.33 111.111 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.84 65.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 23.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.565 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.2 m -50.44 -45.94 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 72.11 111.128 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -61.77 -30.94 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.35 -49.05 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -59.66 -25.16 64.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 75.22 111.08 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.23 -25.18 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.55 111.1 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.22 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 70.14 111.138 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.4 p -52.93 -52.91 56.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.849 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -81.46 -45.28 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 55.13 110.932 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.549 -0.221 . . . . 65.43 112.549 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 -56.07 -25.92 47.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 72.45 110.903 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.27 -25.4 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 72.42 111.169 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.5 -44.54 50.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 63.54 111.138 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.2 -48.68 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 55.43 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -59.21 -26.72 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.31 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.77 -60.54 8.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 60.52 112.508 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HA ' HG23 ' A' ' 12' ' ' VAL . . . -69.54 -24.71 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 62.13 111.101 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.52 -25.12 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.44 110.857 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.24 -52.0 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 64.02 112.493 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -56.53 -55.89 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 73.12 111.142 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 8' ' ' ALA . 92.3 t -73.75 -26.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.33 111.111 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.56 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 11.7 t -55.43 -46.29 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.854 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.01 -37.7 88.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.881 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.37 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 72.33 111.073 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -100.63 -18.17 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 55.21 110.81 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.22 128.29 2.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 61.33 112.448 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.43 -19.27 64.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 73.11 112.487 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.72 -25.59 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 65.32 111.141 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 20.41 20.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 72.44 112.452 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.56 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 92.7 m -50.27 -47.93 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 72.45 111.183 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.86 -29.45 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.907 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.36 -28.24 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.34 110.875 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.04 81.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 62.2 111.133 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.9 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.02 111.126 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.97 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 61.4 111.118 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t -53.33 -65.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 62.12 110.876 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -77.13 -26.28 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 72.31 110.883 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.884 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.544 -0.222 . . . . 75.53 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -77.51 -34.63 54.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 73.23 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.55 -25.11 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 44.05 111.146 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.37 -32.05 48.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.33 111.123 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.834 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.56 -26.29 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.151 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.66 -20.82 72.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.35 112.448 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.11 -59.64 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.368 . . . . 73.22 111.101 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.3 p -70.42 -24.99 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.85 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.14 -54.47 37.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 44.13 112.477 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.1 m -59.85 -34.43 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 53.12 111.152 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.31 -27.29 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 65.32 111.167 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.545 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.6 t -55.6 -45.68 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 50.24 110.903 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.93 -48.62 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.29 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 33.02 111.103 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -95.91 -18.14 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 53.24 110.879 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.61 -88.75 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 34.4 112.51 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.52 -19.51 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 35.41 112.499 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.79 -45.54 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.382 . . . . 52.13 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.87 35.73 4.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 41.15 112.487 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.545 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 89.7 m -50.49 -45.81 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.795 0.331 . . . . 72.42 111.148 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.86 -30.76 71.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 53.21 110.86 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.36 -49.59 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.864 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -59.63 -53.65 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.23 111.114 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.77 61.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 63.12 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.59 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.144 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.09 125.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 61.15 110.861 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -77.4 -57.22 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 63.54 110.892 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 53.43 110.883 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 21.03 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -57.06 -59.83 4.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.771 0.319 . . . . 73.45 110.944 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.14 -25.84 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 71.22 111.139 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.82 -25.26 56.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.14 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.05 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.75 -35.81 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 63.3 111.157 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 -60.24 7.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 70.43 112.476 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 23.35 111.104 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.02 -38.44 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 71.12 110.884 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.33 -31.56 54.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 35.34 112.482 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 m -57.55 -36.74 72.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 65.11 111.157 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -72.34 -24.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 70.31 111.107 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.546 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -55.33 -44.1 75.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -41.88 96.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.39 58.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 65.41 111.143 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -98.08 -18.14 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 73.11 110.865 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.08 -75.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 74.23 112.484 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.58 -19.43 2.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 73.42 112.517 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.8 -33.1 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 70.14 111.094 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.01 46.77 1.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 43.43 112.496 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.546 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 93.3 m -50.31 -49.11 54.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 73.25 111.156 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.85 -28.33 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 71.31 110.863 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -73.41 -32.5 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.34 93.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 63.53 111.088 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.36 59.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 51.45 111.077 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.56 -62.23 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.111 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.14 105.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 63.35 110.873 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -79.63 -44.06 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 75.22 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.507 -0.237 . . . . 73.11 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 72.11 110.912 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.1 m -65.53 -25.98 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.139 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.31 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 50.24 111.143 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.84 -52.38 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.17 -26.51 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.79 -21.25 43.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 54.13 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -59.65 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.354 . . . . 71.33 111.107 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.89 -25.71 59.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 63.33 110.875 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 -35.45 91.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 62.42 112.45 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 m -59.93 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 70.31 111.141 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 t -72.43 -29.28 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.2 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.7 t -55.36 -62.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 73.04 110.882 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.15 -34.95 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 71.23 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -100.66 22.1 12.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 61.22 110.815 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.02 -93.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 62.43 112.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.61 -19.31 3.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 53.41 112.499 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 m -62.82 -25.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 72.45 111.118 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.21 22.96 14.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 31.24 112.526 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 83.1 m -50.46 -40.58 51.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.778 0.323 . . . . 75.22 111.151 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.46 -34.89 76.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 65.1 110.928 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -73.41 -56.62 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.851 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.104 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.12 59.92 1.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 61.2 111.142 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -72.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.34 111.158 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t 178.08 128.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 73.01 110.867 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -77.53 -31.26 53.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 64.43 110.852 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 73.41 110.961 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.463 -0.255 . . . . 64.1 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.545 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.6 t90 -68.64 -32.89 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 75.42 110.899 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.46 -32.32 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 75.32 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.29 -37.5 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 54.25 111.135 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.81 -40.13 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.855 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 2' ' ' TRP . 68.6 t -62.04 -60.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 62.32 111.117 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.59 -21.63 65.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 41.22 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.29 -23.22 65.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 62.35 111.125 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 m -51.83 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.913 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.86 126.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 71.12 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -60.1 -19.59 54.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.34 . . . . 61.12 111.136 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.99 -17.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.3 111.117 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 15.7 t -55.12 -64.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 65.2 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 14' ' ' LEU . 3.9 tt -65.06 -29.65 70.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 74.3 110.932 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -23.3 48.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.01 111.065 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -94.91 22.04 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 64.4 110.881 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.32 -49.27 3.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 61.42 112.468 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.55 -19.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 42.22 112.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.77 -28.0 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 73.34 111.127 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.51 -11.08 69.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 65.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 95.3 m -50.1 -51.09 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.312 . . . . 72.2 111.136 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -61.03 -27.14 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 64.1 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -77.93 -61.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.5 110.85 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -62.8 -60.06 4.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 50.12 111.103 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.23 60.04 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.058 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.57 -70.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 70.32 111.105 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p 178.09 105.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.866 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -78.72 -44.29 23.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 74.23 110.895 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.905 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.245 . . . . 52.23 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -66.86 -26.0 66.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 75.13 110.942 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.37 -29.75 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.1 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.92 -31.96 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 62.34 111.092 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 m -66.3 -28.89 69.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 62.25 110.849 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.84 -26.41 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 54.44 111.134 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.42 -49.7 75.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 74.41 112.48 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.31 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 61.23 111.109 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.588 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.3 m -61.27 -40.39 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 61.14 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.19 -36.77 57.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 52.12 112.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 m -57.69 -55.33 36.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 74.33 111.145 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -72.49 -24.96 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.139 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.551 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 2.0 t -55.38 -28.57 54.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 62.13 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.94 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -29.19 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 75.45 111.12 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -96.68 22.08 8.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.842 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.76 122.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.463 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.76 -18.53 68.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 60.22 112.523 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.71 -27.58 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 64.2 111.167 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.5 40.8 2.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 62.35 112.513 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.551 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 94.4 m -50.1 -48.95 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 73.54 111.152 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.83 -29.04 69.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.4 -38.43 65.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . . . -59.56 -29.55 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.55 111.149 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 1.588 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -71.93 78.78 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 61.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.74 -67.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 61.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.12 105.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 63.54 110.837 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -79.27 -27.04 42.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.925 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 72.13 110.931 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 60.35 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -64.4 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 74.32 110.911 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.32 -26.48 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 75.22 111.139 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 -38.87 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 63.05 111.11 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.7 -45.45 75.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.837 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.83 -33.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 65.12 111.131 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.53 -31.87 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 73.23 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.69 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 45.34 111.032 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.595 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -51.99 -40.14 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 62.05 110.898 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.29 66.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 63.51 112.498 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -56.58 -35.22 67.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 50.54 111.145 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.87 -38.2 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 73.44 111.152 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.541 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 4.5 m -56.09 -27.8 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 62.54 110.876 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -38.6 91.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.27 -30.41 62.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.083 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -100.49 -18.11 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 62.53 110.865 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.02 -19.17 27.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 61.21 112.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.01 23.7 3.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 65.43 112.434 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.31 -43.06 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 74.11 111.13 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.2 54.21 0.76 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 71.53 112.473 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.541 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 97.1 m -49.75 -51.38 39.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 50.31 111.136 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.73 -27.97 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 71.55 110.862 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.93 -42.44 60.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 62.24 110.866 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.32 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 41.11 111.107 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 1.595 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -76.0 66.29 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.064 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.68 -76.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.51 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.1 90.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 72.42 110.878 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -76.96 -29.14 55.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 74.21 110.919 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.41 110.917 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.517 -0.233 . . . . 13.1 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.726 ' O ' HG23 ' A' ' 6' ' ' VAL . 62.5 m95 -66.63 -48.39 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.339 . . . . 63.32 110.936 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.52 -30.12 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.12 111.117 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.21 -41.25 61.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 71.11 111.132 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 2' ' ' TRP . 80.7 t -62.05 -38.33 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.24 111.119 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.73 -40.19 18.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 64.45 112.467 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -20.46 65.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 34.12 111.096 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.78 -74.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.25 117.1 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.76 . . . . 63.43 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -60.38 -18.4 50.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 61.44 111.11 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.71 -19.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 70.3 111.164 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.525 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.5 t -55.21 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 63.04 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.943 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.18 -35.4 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 55.42 111.114 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 m -100.73 22.04 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 70.3 110.895 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.34 127.17 5.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 71.12 112.499 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.21 -20.19 42.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 53.45 112.487 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.68 -34.15 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 74.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.81 1.2 89.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 34.13 112.487 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.525 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 51.8 m -53.02 -27.77 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 65.02 111.174 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.69 -27.05 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.98 -61.77 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 45.23 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . . . -62.81 -60.01 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.079 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.06 60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.03 111.122 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -71.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 63.11 111.114 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t 178.11 102.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 71.03 110.896 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -77.35 -43.92 31.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 63.44 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 63.25 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.48 -0.248 . . . . 61.12 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -73.0 -34.25 66.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 70.33 110.895 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.33 -24.87 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 75.03 111.147 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.32 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.111 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.73 -24.72 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 62.51 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -58.67 -60.74 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.159 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.15 -28.28 53.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 65.5 112.467 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -12.59 61.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.844 0.354 . . . . 64.21 111.119 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.65 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.873 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.02 128.62 1.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 62.23 112.486 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -61.22 -17.17 51.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 74.11 111.121 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.34 -16.99 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 64.41 111.151 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.563 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m -55.12 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.52 110.908 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.68 -45.29 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 62.5 110.957 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.23 -25.23 58.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.081 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -94.44 -18.19 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 62.51 110.875 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.28 -36.27 4.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 52.24 112.493 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.93 -19.06 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 73.55 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.81 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 60.02 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.44 -17.91 29.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 62.44 112.495 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.563 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.2 m -49.71 -58.15 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 75.12 111.16 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.75 -24.74 67.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.2 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -73.24 -61.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 71.35 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -26.15 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 74.41 111.086 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.43 -20.72 57.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 74.52 111.16 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 62.34 111.094 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 p -52.91 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.847 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -76.88 -24.99 52.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.883 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 65.04 110.899 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 4.51 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -74.1 -27.29 60.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 74.4 110.923 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.44 -25.15 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 63.24 111.127 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.83 -25.42 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 65.43 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.465 ' SG ' ' CA ' ' A' ' 28' ' ' DTY . 0.0 OUTLIER -64.72 -67.51 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.55 110.868 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.09 -26.13 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.67 -35.58 38.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 73.13 112.477 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.628 ' HB2' ' HE2' ' A' ' 28' ' ' DTY . . . -68.41 -51.3 45.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 60.52 111.068 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.575 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 70.2 m -53.4 -49.54 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.857 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -39.05 65.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 71.45 112.457 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -56.63 -44.34 81.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 71.23 111.164 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.89 -45.02 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 63.21 111.162 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.556 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.8 m -55.67 -40.19 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 73.12 110.915 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.38 -40.19 93.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 64.21 110.913 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.69 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -100.48 -18.11 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 71.35 110.885 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.32 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 63.02 112.503 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.33 33.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 54.31 112.478 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.79 -48.87 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 54.42 111.094 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.28 55.39 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 63.13 112.481 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.556 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 95.5 m -49.89 -49.47 49.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 70.33 111.159 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.97 -30.08 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -73.41 -41.93 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 62.31 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.47 76.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 70.15 111.115 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 1.575 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -69.62 83.89 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 71.42 111.128 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.106 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.22 104.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 70.44 110.817 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . 1.465 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -80.14 -56.91 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.905 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.888 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.481 -0.248 . . . . 64.05 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -62.97 -58.83 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.779 0.323 . . . . 75.54 110.932 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.28 -25.2 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.32 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.21 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.081 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -44.72 76.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 60.43 110.889 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.79 -26.28 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 63.22 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.53 42.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 74.32 112.493 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.67 -13.62 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 73.15 111.06 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 t -86.39 5.76 33.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.39 -120.71 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 44.44 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -57.59 -26.55 61.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 74.44 111.114 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.97 -39.8 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.178 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.541 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 33.2 t -56.92 -50.97 70.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.864 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.97 -47.94 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.903 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.56 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 43.54 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -98.47 22.09 10.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 54.42 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.73 127.35 6.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 75.44 112.481 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.55 55.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.772 -0.728 . . . . 62.33 112.445 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 m -62.8 -24.4 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 65.55 111.08 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.09 -8.61 87.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 72.11 112.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.541 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 98.9 m -49.6 -60.83 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 70.32 111.142 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.46 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.24 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -73.6 -61.46 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.69 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 44.13 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.26 -29.88 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 111.109 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -75.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.134 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 p 178.05 172.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 70.34 110.908 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -81.08 -44.37 18.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 71.21 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 72.24 110.893 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.44 -0.264 . . . . 64.1 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -55.9 -45.95 78.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 62.05 110.966 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.49 -28.47 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 62.45 111.123 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.64 -36.68 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 61.34 111.065 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -46.45 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 45.42 110.849 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.31 -28.55 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.32 111.113 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.34 -56.01 3.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 61.43 112.53 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -11.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 74.22 111.132 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.547 ' CA ' ' HB1' ' A' ' 24' ' ' ALA . . . -176.26 130.23 1.65 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 71.55 112.477 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 m -61.89 -15.95 46.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 64.53 111.11 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 24' ' ' ALA . 5.3 p -70.17 -26.28 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 64.11 111.134 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.547 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -54.31 -54.16 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.14 110.918 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.01 -41.97 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 71.2 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.23 48.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 63.23 111.123 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -93.9 -18.2 22.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.833 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.32 -44.68 2.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 52.12 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.87 -33.74 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 65.22 112.519 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -62.31 -24.02 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 72.42 111.153 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.85 -16.69 54.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 62.13 112.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.547 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.9 m -50.42 -50.82 50.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 43.42 111.134 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.7 -26.53 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -78.53 -62.5 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.547 ' HB1' ' CA ' ' A' ' 10' ' ' GLY . . . -63.6 -60.32 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 54.53 111.107 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.52 67.36 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 55.24 111.097 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -62.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 62.01 111.102 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.12 91.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.839 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -81.41 -50.44 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 73.15 110.843 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.911 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.505 -0.238 . . . . 73.2 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -74.43 -54.4 7.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 75.51 110.906 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.34 -25.65 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.23 111.092 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.85 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 61.12 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -64.94 -54.35 32.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 71.42 110.872 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -60.0 -26.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 73.01 111.133 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.07 -61.21 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 74.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.498 ' HB3' ' HE1' ' A' ' 28' ' ' DTY . . . -70.43 -33.31 71.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 54.33 111.14 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.6 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.7 m -52.26 -57.04 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.908 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.45 135.09 2.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 73.21 112.445 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -62.56 -14.88 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 71.4 111.179 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -69.29 -22.68 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 71.14 111.165 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 4.6 t -55.01 -54.95 36.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 62.23 110.875 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.83 -27.7 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 53.33 110.904 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -24.08 52.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.086 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 m -95.1 22.11 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.851 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.63 19.52 54.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 74.11 112.484 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.73 -24.56 29.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 52.41 112.478 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.76 -25.41 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 31.22 111.153 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.97 -9.4 62.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 64.52 112.455 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 90.4 m -50.38 -45.32 55.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 72.04 111.084 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.04 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -78.94 -63.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.875 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -63.55 -60.86 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.089 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 1.6 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -83.64 51.64 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 55.5 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.57 -68.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.22 111.129 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -52.73 -49.14 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.827 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . 0.498 ' HE1' ' HB3' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -39.04 51.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.912 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 54.51 110.914 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.525 -0.23 . . . . 41.15 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.71 -60.28 2.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.808 0.337 . . . . 73.42 110.91 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -62.7 -24.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 33.14 111.09 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.95 -27.54 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 50.11 111.112 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.84 -51.74 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.856 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.95 -30.56 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.196 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.62 -31.0 46.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 64.14 112.451 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.13 -22.19 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 64.44 111.122 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -65.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.859 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.35 123.74 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 71.31 112.463 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 p -63.32 87.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 72.01 111.16 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.62 -54.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 63.4 111.138 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.544 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 8.0 p -54.16 -31.14 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 62.45 110.878 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.86 -60.27 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 -30.79 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.089 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -101.08 19.28 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 51.03 110.89 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.8 119.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 72.23 112.491 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.29 114.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 50.04 112.465 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.95 -16.48 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 74.55 111.113 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.46 34.39 4.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 71.24 112.491 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.544 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 53.2 m -53.95 -25.22 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 64.42 111.155 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.08 -16.54 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 71.24 110.905 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -72.06 -21.45 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.833 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -53.53 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 70.52 111.06 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 35.33 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.52 -71.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 65.3 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t 178.03 111.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 72.44 110.846 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.05 -42.62 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.893 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.11 110.953 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 71.23 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -64.99 -27.82 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 73.44 110.953 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.2 -27.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 72.13 111.114 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.61 -41.21 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 71.05 111.138 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.612 ' SG ' ' HA ' ' A' ' 28' ' ' DTY . 0.8 OUTLIER -67.33 -45.18 77.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.1 110.887 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p -59.14 -26.34 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.092 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.28 -49.74 5.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 73.31 112.514 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -19.55 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 72.22 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.565 ' SG ' ' HA ' ' A' ' 25' ' ' ALA . 1.2 m -51.87 -68.67 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.872 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.87 122.67 1.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 70.22 112.51 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -60.97 -17.6 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 60.51 111.106 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.47 -13.76 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.1 111.125 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.577 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m -55.15 -57.81 10.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 61.15 110.869 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -44.68 80.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.25 110.899 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -24.9 57.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.35 111.094 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -94.22 -18.14 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.1 110.823 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.68 -37.74 3.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 73.41 112.476 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.28 -19.28 0.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 75.44 112.514 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.84 -25.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 61.22 111.127 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.69 -18.11 31.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 61.21 112.464 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.577 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.5 m -49.66 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 72.44 111.14 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.81 -23.78 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 72.53 110.91 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -73.35 -60.32 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 73.25 110.862 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.65 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 64.42 111.053 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 1.565 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . . . -70.65 81.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 51.32 111.107 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -71.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.117 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.13 80.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.25 110.878 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . 1.612 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.5 -57.95 3.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.886 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 75.54 110.939 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.551 -0.219 . . . . 62.22 112.551 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -61.13 -33.05 72.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 74.44 110.942 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 m -61.35 -24.61 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.53 111.141 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -39.48 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 54.13 111.142 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.77 -43.57 79.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.25 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.8 m -61.1 -34.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 70.42 111.127 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.58 -50.55 4.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 75.34 112.511 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -10.05 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 20.4 111.088 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.72 102.5 0.16 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 34.04 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -12.38 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 70.53 111.17 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 t -68.8 -56.78 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.113 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.571 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 11.0 p -56.36 -24.4 44.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.851 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 14' ' ' LEU . 2.1 tt -67.55 -22.04 65.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.922 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.17 36.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.099 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 m -93.28 22.06 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 63.32 110.873 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.55 -80.26 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 73.41 112.494 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.51 -35.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 63.13 112.495 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.69 -22.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 64.13 111.172 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.98 -36.38 28.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 73.44 112.459 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.571 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 67.5 m -51.63 -26.32 8.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 72.25 111.151 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.01 -24.37 53.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.912 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -73.09 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 61.43 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -19.46 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 44.1 111.098 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.31 -10.7 59.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.095 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.44 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 64.44 111.12 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.6 m -55.29 -70.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 73.35 110.844 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -76.78 -24.03 52.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 54.33 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.55 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.521 -0.232 . . . . 75.42 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -60.82 -25.85 66.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 72.31 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -62.72 -30.22 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.43 111.126 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.24 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.071 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.4 t -67.74 -47.83 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.45 110.895 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 m -58.84 -32.54 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 70.55 111.105 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.38 -50.36 7.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 62.35 112.497 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.572 ' O ' HG22 ' A' ' 11' ' ' THR . . . -69.95 -11.04 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 73.22 111.08 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -18.56 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.05 110.843 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 68.59 2.17 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 51.22 112.453 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 8' ' ' ALA . 4.8 t -179.0 143.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 74.34 111.139 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 12' ' ' VAL . 4.2 t 67.05 13.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 42.1 111.128 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.571 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 7.5 t -57.27 -24.95 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -64.04 -25.29 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.912 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.57 -24.03 44.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 52.13 111.138 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 t -94.14 -18.1 22.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 18.77 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 73.23 112.492 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.71 -55.84 4.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 73.34 112.484 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.7 -17.69 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 61.54 111.151 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.49 33.04 5.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 73.2 112.531 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.571 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 99.8 m -50.0 -61.56 2.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 64.32 111.15 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.15 -17.57 58.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 52.32 110.843 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.01 -28.63 62.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.922 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -21.92 61.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 62.03 111.092 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.77 -19.76 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.04 111.051 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.84 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 41.12 111.099 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p -54.62 -63.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.45 110.822 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -79.54 -35.05 40.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 45.32 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 72.42 110.915 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.446 -0.262 . . . . 64.34 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -53.65 -32.52 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.343 . . . . 64.41 110.931 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 6' ' ' VAL . 46.4 t -64.41 -46.05 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.41 111.135 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.78 -18.33 54.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 72.42 111.139 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -64.67 -24.99 67.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 65.45 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 3' ' ' VAL . 10.1 p -58.84 -26.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.86 -60.3 4.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.524 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.22 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 42.42 111.102 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -58.82 -22.05 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.841 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.57 -48.3 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 32.22 112.465 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -59.94 -54.88 40.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 74.34 111.124 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.27 -26.6 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 72.2 111.146 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.619 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 42.6 t -55.39 -39.97 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.03 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.89 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 75.23 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.19 -25.26 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 54.34 111.112 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 t -100.12 22.11 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 50.52 110.896 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.01 106.62 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 74.13 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 21' ' ' THR . . . -70.22 -9.84 64.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 73.42 112.5 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 m -62.7 -23.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 65.41 111.092 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.79 41.33 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 64.11 112.514 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.619 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 71.1 p -48.23 -63.79 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 73.44 111.19 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -58.71 -22.38 57.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.903 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -73.31 -29.27 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 9' ' ' CYS . . . -62.74 -34.47 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.13 111.089 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.53 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 65.5 111.094 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.57 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 60.45 111.099 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 t -53.54 -60.49 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 71.31 110.87 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.0 -42.93 36.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 72.23 110.903 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.952 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 61.31 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -75.25 -27.57 59.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 73.33 110.947 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 m -65.35 -27.58 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.44 111.136 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.44 -42.77 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 51.01 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.45 -45.93 74.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 22.23 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.33 -26.77 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 64.54 111.082 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.97 -41.43 8.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 61.1 112.51 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.4 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 51.01 111.127 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -18.48 61.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.865 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.9 -46.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 73.52 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 p -56.56 -44.3 80.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 73.42 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -72.35 -39.47 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.15 111.079 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.612 ' SG ' ' HA ' ' A' ' 21' ' ' THR . 16.7 t -58.6 -52.24 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.866 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.23 95.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.905 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.43 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.01 111.139 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.9 m -95.53 22.11 7.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.865 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.16 -56.67 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 62.43 112.504 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.31 21.4 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 51.32 112.512 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.55 -48.34 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 75.22 111.116 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.76 59.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.506 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.612 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 71.8 p -48.09 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 71.44 111.132 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -59.32 -22.87 61.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.877 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -73.37 -42.47 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.853 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . . . -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.112 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.31 59.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 61.12 111.086 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.75 -72.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 31.24 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.12 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.857 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -77.49 -42.22 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.925 -179.975 . . . . . . . . 0 0 . 1 stop_ save_